NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
521157 | 2l4q | 17242 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 10.377 -15.917 13.868 2 H2 MET 1 2H MET 1 8.890 -16.567 13.682 3 HA MET 1 HA MET 1 8.349 -16.194 15.989 4 HB2 MET 1 2HB MET 1 11.116 -14.908 16.085 5 HB3 MET 1 3HB MET 1 9.882 -14.705 17.324 6 HG2 MET 1 2HG MET 1 11.217 -17.312 16.528 7 HG3 MET 1 3HG MET 1 11.480 -16.401 18.003 8 HE1 MET 1 3HE MET 1 9.939 -16.379 20.082 9 HE2 MET 1 1HE MET 1 8.640 -15.611 19.137 10 HE3 MET 1 2HE MET 1 8.293 -17.044 20.125 11 H THR 2 H THR 2 7.388 -14.191 16.718 12 HA THR 2 HA THR 2 7.675 -11.840 14.966 13 HB THR 2 HB THR 2 5.869 -13.270 13.986 14 HG1 THR 2 HG1 THR 2 4.542 -11.478 13.702 15 HG21 THR 2 3HG2 THR 2 4.799 -14.059 16.107 16 HG22 THR 2 1HG2 THR 2 3.663 -13.285 14.991 17 HG23 THR 2 2HG2 THR 2 4.242 -12.397 16.415 18 H ASP 3 H ASP 3 6.479 -9.943 15.803 19 HA ASP 3 HA ASP 3 6.044 -9.787 18.698 20 HB2 ASP 3 2HB ASP 3 8.521 -9.713 18.507 21 HB3 ASP 3 3HB ASP 3 8.399 -8.372 17.370 22 H SER 4 H SER 4 5.063 -7.752 19.328 23 HA SER 4 HA SER 4 3.309 -6.672 17.352 24 HB2 SER 4 2HB SER 4 2.583 -5.162 19.181 25 HB3 SER 4 3HB SER 4 2.609 -6.873 19.633 26 HG SER 4 HG SER 4 3.551 -5.523 21.247 27 H GLU 5 H GLU 5 6.531 -5.645 18.206 28 HA GLU 5 HA GLU 5 6.155 -3.097 16.680 29 HB2 GLU 5 2HB GLU 5 8.360 -3.876 18.613 30 HB3 GLU 5 3HB GLU 5 8.239 -2.358 17.730 31 HG2 GLU 5 2HG GLU 5 6.070 -1.932 18.834 32 HG3 GLU 5 3HG GLU 5 6.337 -3.359 19.830 33 H LYS 6 H LYS 6 6.811 -6.121 15.796 34 HA LYS 6 HA LYS 6 9.286 -5.895 14.333 35 HB2 LYS 6 2HB LYS 6 8.169 -8.023 15.031 36 HB3 LYS 6 3HB LYS 6 6.897 -7.725 13.838 37 HG2 LYS 6 2HG LYS 6 8.547 -7.893 12.011 38 HG3 LYS 6 3HG LYS 6 9.859 -8.089 13.195 39 HD2 LYS 6 2HD LYS 6 8.839 -10.193 13.982 40 HD3 LYS 6 3HD LYS 6 7.480 -9.972 12.852 41 HE2 LYS 6 2HE LYS 6 9.154 -9.972 10.959 42 HE3 LYS 6 3HE LYS 6 10.421 -10.361 12.129 43 HZ1 LYS 6 3HZ LYS 6 9.573 -12.367 11.074 44 HZ2 LYS 6 1HZ LYS 6 8.042 -12.045 11.532 45 HZ3 LYS 6 2HZ LYS 6 9.168 -12.425 12.657 46 H SER 7 H SER 7 6.154 -4.776 13.657 47 HA SER 7 HA SER 7 7.009 -3.663 11.021 48 HB2 SER 7 2HB SER 7 5.421 -5.533 10.626 49 HB3 SER 7 3HB SER 7 4.226 -4.708 11.651 50 HG SER 7 HG SER 7 3.853 -4.130 9.506 51 H ALA 8 H ALA 8 6.111 -1.676 10.469 52 HA ALA 8 HA ALA 8 4.595 -0.181 12.561 53 HB1 ALA 8 3HB ALA 8 6.613 0.946 10.601 54 HB2 ALA 8 1HB ALA 8 5.694 1.869 11.807 55 HB3 ALA 8 2HB ALA 8 6.897 0.676 12.335 56 H THR 9 H THR 9 3.764 -1.899 10.068 57 HA THR 9 HA THR 9 2.398 0.046 8.370 58 HB THR 9 HB THR 9 1.242 -1.918 7.394 59 HG1 THR 9 HG1 THR 9 1.850 -3.962 8.036 60 HG21 THR 9 3HG2 THR 9 3.385 -1.210 6.453 61 HG22 THR 9 1HG2 THR 9 3.183 -2.963 6.343 62 HG23 THR 9 2HG2 THR 9 4.257 -2.275 7.581 63 H ILE 10 H ILE 10 0.145 0.246 8.090 64 HA ILE 10 HA ILE 10 -1.578 -0.599 10.389 65 HB ILE 10 HB ILE 10 -3.131 1.148 9.854 66 HG12 ILE 10 2HG1 ILE 10 -1.151 2.166 7.771 67 HG13 ILE 10 3HG1 ILE 10 -2.681 1.355 7.420 68 HG21 ILE 10 1HG2 ILE 10 -0.342 2.328 10.192 69 HG22 ILE 10 2HG2 ILE 10 -1.879 2.998 10.780 70 HG23 ILE 10 3HG2 ILE 10 -1.251 1.502 11.475 71 HD11 ILE 10 3HD1 ILE 10 -2.363 4.051 8.782 72 HD12 ILE 10 1HD1 ILE 10 -3.001 3.723 7.165 73 HD13 ILE 10 2HD1 ILE 10 -3.907 3.181 8.592 74 H LYS 11 H LYS 11 -3.694 -1.373 9.916 75 HA LYS 11 HA LYS 11 -3.949 -2.683 7.225 76 HB2 LYS 11 2HB LYS 11 -3.562 -4.131 9.294 77 HB3 LYS 11 3HB LYS 11 -5.170 -3.636 9.839 78 HG2 LYS 11 2HG LYS 11 -6.130 -4.593 7.717 79 HG3 LYS 11 3HG LYS 11 -4.490 -5.076 7.234 80 HD2 LYS 11 2HD LYS 11 -4.353 -6.414 9.417 81 HD3 LYS 11 3HD LYS 11 -6.054 -6.023 9.678 82 HE2 LYS 11 2HE LYS 11 -5.982 -8.214 8.752 83 HE3 LYS 11 3HE LYS 11 -6.600 -7.146 7.486 84 HZ1 LYS 11 3HZ LYS 11 -4.893 -8.686 6.648 85 HZ2 LYS 11 1HZ LYS 11 -3.767 -8.059 7.675 86 HZ3 LYS 11 2HZ LYS 11 -4.434 -7.179 6.439 87 H VAL 12 H VAL 12 -5.642 -2.119 6.007 88 HA VAL 12 HA VAL 12 -7.911 -0.614 7.252 89 HB VAL 12 HB VAL 12 -8.034 0.844 5.314 90 HG11 VAL 12 1HG1 VAL 12 -6.821 1.555 7.352 91 HG12 VAL 12 2HG1 VAL 12 -5.298 0.962 6.653 92 HG13 VAL 12 3HG1 VAL 12 -6.164 2.303 5.884 93 HG21 VAL 12 3HG2 VAL 12 -6.226 1.079 3.710 94 HG22 VAL 12 1HG2 VAL 12 -5.316 -0.241 4.465 95 HG23 VAL 12 2HG2 VAL 12 -6.848 -0.575 3.630 96 H THR 13 H THR 13 -9.886 -0.691 6.236 97 HA THR 13 HA THR 13 -10.414 -3.017 4.437 98 HB THR 13 HB THR 13 -12.334 -3.615 5.788 99 HG1 THR 13 HG1 THR 13 -12.672 -2.558 7.787 100 HG21 THR 13 3HG2 THR 13 -11.321 -4.480 7.793 101 HG22 THR 13 1HG2 THR 13 -10.000 -3.295 7.719 102 HG23 THR 13 2HG2 THR 13 -10.122 -4.577 6.492 103 H ASP 14 H ASP 14 -12.747 -2.900 3.545 104 HA ASP 14 HA ASP 14 -13.179 -0.440 2.224 105 HB2 ASP 14 2HB ASP 14 -14.021 -2.743 1.566 106 HB3 ASP 14 3HB ASP 14 -15.272 -2.584 2.782 107 H ALA 15 H ALA 15 -14.259 -1.445 5.403 108 HA ALA 15 HA ALA 15 -16.203 0.728 5.731 109 HB1 ALA 15 3HB ALA 15 -15.123 -1.349 7.679 110 HB2 ALA 15 1HB ALA 15 -16.514 -0.279 7.948 111 HB3 ALA 15 2HB ALA 15 -16.587 -1.517 6.680 112 H SER 16 H SER 16 -12.776 0.501 6.100 113 HA SER 16 HA SER 16 -12.722 2.856 7.960 114 HB2 SER 16 2HB SER 16 -10.695 1.917 8.957 115 HB3 SER 16 3HB SER 16 -12.094 0.856 9.166 116 HG SER 16 HG SER 16 -11.311 -0.539 7.701 117 H PHE 17 H PHE 17 -11.753 1.830 4.858 118 HA PHE 17 HA PHE 17 -9.246 2.916 4.475 119 HB2 PHE 17 2HB PHE 17 -10.781 1.588 2.895 120 HB3 PHE 17 3HB PHE 17 -11.519 3.113 2.459 121 HD1 PHE 17 HD2 PHE 17 -10.075 4.881 1.285 122 HD2 PHE 17 HD1 PHE 17 -8.701 0.867 2.057 123 HE1 PHE 17 HE2 PHE 17 -8.280 5.158 -0.417 124 HE2 PHE 17 HE1 PHE 17 -6.986 1.116 0.295 125 HZ PHE 17 HZ PHE 17 -6.749 3.276 -0.924 126 H ALA 18 H ALA 18 -12.355 4.704 4.320 127 HA ALA 18 HA ALA 18 -11.182 7.182 3.540 128 HB1 ALA 18 3HB ALA 18 -13.389 8.123 4.113 129 HB2 ALA 18 1HB ALA 18 -13.551 6.622 3.184 130 HB3 ALA 18 2HB ALA 18 -13.826 6.614 4.943 131 H THR 19 H THR 19 -11.734 5.746 6.723 132 HA THR 19 HA THR 19 -11.173 8.142 8.248 133 HB THR 19 HB THR 19 -11.015 5.347 9.391 134 HG1 THR 19 HG1 THR 19 -13.292 5.329 9.504 135 HG21 THR 19 3HG2 THR 19 -12.351 7.920 10.360 136 HG22 THR 19 1HG2 THR 19 -10.815 7.254 10.957 137 HG23 THR 19 2HG2 THR 19 -12.319 6.375 11.242 138 H ASP 20 H ASP 20 -9.112 5.787 6.792 139 HA ASP 20 HA ASP 20 -6.798 6.731 8.465 140 HB2 ASP 20 2HB ASP 20 -7.418 4.046 7.245 141 HB3 ASP 20 3HB ASP 20 -5.774 4.521 7.660 142 H VAL 21 H VAL 21 -7.524 5.580 5.108 143 HA VAL 21 HA VAL 21 -4.964 6.617 4.155 144 HB VAL 21 HB VAL 21 -7.291 5.560 2.511 145 HG11 VAL 21 1HG1 VAL 21 -5.596 5.093 0.836 146 HG12 VAL 21 2HG1 VAL 21 -5.539 6.802 1.232 147 HG13 VAL 21 3HG1 VAL 21 -4.313 5.701 1.901 148 HG21 VAL 21 3HG2 VAL 21 -6.670 3.819 4.109 149 HG22 VAL 21 1HG2 VAL 21 -6.067 3.396 2.513 150 HG23 VAL 21 2HG2 VAL 21 -4.942 4.042 3.731 151 H LEU 22 H LEU 22 -8.409 7.431 3.508 152 HA LEU 22 HA LEU 22 -7.646 9.844 2.056 153 HB2 LEU 22 2HB LEU 22 -10.420 9.151 3.003 154 HB3 LEU 22 3HB LEU 22 -9.957 10.236 1.706 155 HG LEU 22 HG LEU 22 -9.605 7.207 1.691 156 HD11 LEU 22 1HD1 LEU 22 -11.340 7.231 -0.030 157 HD12 LEU 22 2HD1 LEU 22 -11.471 9.000 0.092 158 HD13 LEU 22 3HD1 LEU 22 -11.951 7.972 1.457 159 HD21 LEU 22 3HD2 LEU 22 -7.828 8.282 0.333 160 HD22 LEU 22 1HD2 LEU 22 -9.082 9.188 -0.549 161 HD23 LEU 22 2HD2 LEU 22 -9.001 7.424 -0.672 162 H SER 23 H SER 23 -8.114 9.135 5.361 163 HA SER 23 HA SER 23 -8.713 11.792 6.336 164 HB2 SER 23 2HB SER 23 -9.218 9.682 7.512 165 HB3 SER 23 3HB SER 23 -7.479 9.426 7.769 166 HG SER 23 HG SER 23 -8.512 10.422 9.564 167 H SER 24 H SER 24 -5.683 10.088 5.497 168 HA SER 24 HA SER 24 -3.892 11.575 7.117 169 HB2 SER 24 2HB SER 24 -3.574 9.865 4.626 170 HB3 SER 24 3HB SER 24 -2.223 10.613 5.469 171 HG SER 24 HG SER 24 -4.053 8.694 6.511 172 H ASN 25 H ASN 25 -3.361 13.642 6.955 173 HA ASN 25 HA ASN 25 -3.467 15.166 4.461 174 HB2 ASN 25 2HB ASN 25 -2.712 17.021 5.798 175 HB3 ASN 25 3HB ASN 25 -4.041 16.206 6.607 176 HD21 ASN 25 1HD2 ASN 25 -2.453 17.957 8.029 177 HD22 ASN 25 2HD2 ASN 25 -1.474 17.035 9.162 178 H LYS 26 H LYS 26 -1.136 13.206 6.043 179 HA LYS 26 HA LYS 26 1.196 14.199 4.516 180 HB2 LYS 26 2HB LYS 26 2.463 12.561 5.802 181 HB3 LYS 26 3HB LYS 26 1.471 13.537 6.879 182 HG2 LYS 26 2HG LYS 26 -0.195 11.713 7.041 183 HG3 LYS 26 3HG LYS 26 0.745 10.721 5.926 184 HD2 LYS 26 2HD LYS 26 1.723 11.679 8.650 185 HD3 LYS 26 3HD LYS 26 1.002 10.105 8.304 186 HE2 LYS 26 2HE LYS 26 2.873 9.835 6.524 187 HE3 LYS 26 3HE LYS 26 3.669 11.198 7.331 188 HZ1 LYS 26 3HZ LYS 26 4.456 9.131 8.319 189 HZ2 LYS 26 1HZ LYS 26 2.923 8.588 8.533 190 HZ3 LYS 26 2HZ LYS 26 3.496 9.843 9.424 191 HA PRO 27 HA PRO 27 0.983 11.112 1.288 192 HB2 PRO 27 2HB PRO 27 3.774 10.259 2.016 193 HB3 PRO 27 3HB PRO 27 3.101 10.639 0.402 194 HG2 PRO 27 2HG PRO 27 4.662 12.443 1.689 195 HG3 PRO 27 3HG PRO 27 3.167 12.996 0.864 196 HD2 PRO 27 2HD PRO 27 3.572 12.401 3.809 197 HD3 PRO 27 3HD PRO 27 2.785 13.816 3.043 198 H VAL 28 H VAL 28 0.213 9.025 1.181 199 HA VAL 28 HA VAL 28 1.008 7.065 3.236 200 HB VAL 28 HB VAL 28 -0.917 8.029 4.253 201 HG11 VAL 28 1HG1 VAL 28 -3.153 7.931 3.320 202 HG12 VAL 28 2HG1 VAL 28 -2.117 8.911 2.277 203 HG13 VAL 28 3HG1 VAL 28 -2.537 7.241 1.811 204 HG21 VAL 28 3HG2 VAL 28 -2.259 6.051 4.625 205 HG22 VAL 28 1HG2 VAL 28 -1.680 5.304 3.124 206 HG23 VAL 28 2HG2 VAL 28 -0.563 5.574 4.479 207 H LEU 29 H LEU 29 1.325 5.138 2.524 208 HA LEU 29 HA LEU 29 0.908 4.564 -0.364 209 HB2 LEU 29 2HB LEU 29 3.213 4.806 0.849 210 HB3 LEU 29 3HB LEU 29 2.834 3.267 1.592 211 HG LEU 29 HG LEU 29 3.375 3.916 -1.320 212 HD11 LEU 29 1HD1 LEU 29 5.255 3.456 0.229 213 HD12 LEU 29 2HD1 LEU 29 5.104 2.196 -1.016 214 HD13 LEU 29 3HD1 LEU 29 4.539 1.883 0.636 215 HD21 LEU 29 3HD2 LEU 29 2.241 1.288 -0.259 216 HD22 LEU 29 1HD2 LEU 29 3.009 1.497 -1.844 217 HD23 LEU 29 2HD2 LEU 29 1.513 2.351 -1.494 218 H VAL 30 H VAL 30 -0.797 3.209 -0.727 219 HA VAL 30 HA VAL 30 -1.461 1.106 1.298 220 HB VAL 30 HB VAL 30 -3.165 1.972 -1.051 221 HG11 VAL 30 1HG1 VAL 30 -3.541 -0.371 -0.293 222 HG12 VAL 30 2HG1 VAL 30 -3.726 0.198 1.382 223 HG13 VAL 30 3HG1 VAL 30 -4.895 0.656 0.129 224 HG21 VAL 30 3HG2 VAL 30 -3.062 3.803 0.601 225 HG22 VAL 30 1HG2 VAL 30 -4.636 3.000 0.619 226 HG23 VAL 30 2HG2 VAL 30 -3.463 2.661 1.903 227 H ASP 31 H ASP 31 -0.696 -0.824 0.941 228 HA ASP 31 HA ASP 31 -0.212 -1.821 -1.831 229 HB2 ASP 31 2HB ASP 31 1.659 -2.137 -0.465 230 HB3 ASP 31 3HB ASP 31 0.719 -2.708 0.906 231 H PHE 32 H PHE 32 -1.949 -2.571 -2.745 232 HA PHE 32 HA PHE 32 -4.088 -4.031 -1.321 233 HB2 PHE 32 2HB PHE 32 -3.669 -3.329 -4.250 234 HB3 PHE 32 3HB PHE 32 -5.038 -4.216 -3.614 235 HD1 PHE 32 HD1 PHE 32 -3.299 -0.880 -3.454 236 HD2 PHE 32 HD2 PHE 32 -6.934 -3.088 -2.739 237 HE1 PHE 32 HE1 PHE 32 -4.507 1.241 -3.040 238 HE2 PHE 32 HE2 PHE 32 -8.133 -0.961 -2.325 239 HZ PHE 32 HZ PHE 32 -6.926 1.209 -2.464 240 H TRP 33 H TRP 33 -3.785 -6.117 -0.872 241 HA TRP 33 HA TRP 33 -2.062 -7.846 -2.576 242 HB2 TRP 33 2HB TRP 33 -0.484 -8.230 -0.921 243 HB3 TRP 33 3HB TRP 33 -0.759 -6.513 -0.758 244 HD1 TRP 33 HD1 TRP 33 -2.869 -6.042 1.206 245 HE1 TRP 33 HE1 TRP 33 -3.240 -7.170 3.486 246 HE3 TRP 33 HE3 TRP 33 0.333 -10.012 0.684 247 HZ2 TRP 33 HZ2 TRP 33 -2.168 -9.406 4.942 248 HZ3 TRP 33 HZ3 TRP 33 0.666 -11.601 2.545 249 HH2 TRP 33 HH2 TRP 33 -0.587 -11.325 4.678 250 H ALA 34 H ALA 34 -1.980 -10.128 -1.715 251 HA ALA 34 HA ALA 34 -3.885 -10.777 0.401 252 HB1 ALA 34 3HB ALA 34 -4.068 -12.122 -2.328 253 HB2 ALA 34 1HB ALA 34 -4.851 -12.705 -0.840 254 HB3 ALA 34 2HB ALA 34 -5.325 -11.151 -1.524 255 H THR 35 H THR 35 -3.356 -12.594 1.565 256 HA THR 35 HA THR 35 -0.624 -13.386 1.635 257 HB THR 35 HB THR 35 -2.231 -13.321 3.542 258 HG1 THR 35 HG1 THR 35 -1.362 -15.192 4.514 259 HG21 THR 35 3HG2 THR 35 -4.127 -14.592 2.501 260 HG22 THR 35 1HG2 THR 35 -3.615 -15.235 4.066 261 HG23 THR 35 2HG2 THR 35 -3.136 -16.067 2.575 262 H TRP 36 H TRP 36 -3.259 -14.715 -0.214 263 HA TRP 36 HA TRP 36 -1.992 -17.276 -0.748 264 HB2 TRP 36 2HB TRP 36 -3.890 -17.545 -2.341 265 HB3 TRP 36 3HB TRP 36 -4.305 -17.293 -0.668 266 HD1 TRP 36 HD1 TRP 36 -6.224 -15.747 -0.234 267 HE1 TRP 36 HE1 TRP 36 -7.664 -14.179 -1.569 268 HE3 TRP 36 HE3 TRP 36 -3.301 -15.350 -4.456 269 HZ2 TRP 36 HZ2 TRP 36 -7.455 -12.636 -4.004 270 HZ3 TRP 36 HZ3 TRP 36 -3.893 -13.674 -6.189 271 HH2 TRP 36 HH2 TRP 36 -5.982 -12.348 -5.999 272 H CYS 37 H CYS 37 -1.160 -14.245 -1.935 273 HA CYS 37 HA CYS 37 -0.415 -15.304 -4.632 274 HB2 CYS 37 2HB CYS 37 -1.876 -13.388 -4.665 275 HB3 CYS 37 3HB CYS 37 -0.813 -12.492 -3.588 276 HG CYS 37 HG CYS 37 -0.726 -11.664 -6.171 277 H GLY 38 H GLY 38 1.634 -15.656 -5.178 278 HA2 GLY 38 2HA GLY 38 3.767 -15.704 -3.315 279 HA3 GLY 38 3HA GLY 38 3.924 -15.861 -5.065 280 HA PRO 39 HA PRO 39 5.633 -11.737 -5.455 281 HB2 PRO 39 2HB PRO 39 3.090 -10.767 -6.755 282 HB3 PRO 39 3HB PRO 39 4.780 -10.438 -7.243 283 HG2 PRO 39 2HG PRO 39 3.382 -12.338 -8.544 284 HG3 PRO 39 3HG PRO 39 5.066 -12.689 -8.028 285 HD2 PRO 39 2HD PRO 39 2.482 -13.549 -6.726 286 HD3 PRO 39 3HD PRO 39 3.983 -14.477 -6.981 287 H CYS 40 H CYS 40 2.238 -11.651 -4.240 288 HA CYS 40 HA CYS 40 2.469 -9.170 -2.772 289 HB2 CYS 40 2HB CYS 40 0.722 -11.629 -2.324 290 HB3 CYS 40 3HB CYS 40 0.595 -10.141 -1.409 291 HG CYS 40 HG CYS 40 0.308 -10.467 -4.687 292 H LYS 41 H LYS 41 3.023 -12.591 -1.811 293 HA LYS 41 HA LYS 41 3.901 -12.070 0.861 294 HB2 LYS 41 2HB LYS 41 3.145 -14.280 -0.225 295 HB3 LYS 41 3HB LYS 41 4.728 -14.365 -0.970 296 HG2 LYS 41 2HG LYS 41 4.752 -15.768 0.947 297 HG3 LYS 41 3HG LYS 41 5.798 -14.398 1.278 298 HD2 LYS 41 2HD LYS 41 4.485 -15.009 3.241 299 HD3 LYS 41 3HD LYS 41 4.043 -13.383 2.710 300 HE2 LYS 41 2HE LYS 41 2.007 -14.242 1.633 301 HE3 LYS 41 3HE LYS 41 2.487 -15.908 1.964 302 HZ1 LYS 41 3HZ LYS 41 2.246 -15.484 4.321 303 HZ2 LYS 41 1HZ LYS 41 0.856 -15.048 3.576 304 HZ3 LYS 41 2HZ LYS 41 1.906 -13.903 4.079 305 H MET 42 H MET 42 5.687 -12.095 -2.201 306 HA MET 42 HA MET 42 8.304 -11.812 -0.998 307 HB2 MET 42 2HB MET 42 7.284 -11.345 -3.821 308 HB3 MET 42 3HB MET 42 8.973 -11.171 -3.364 309 HG2 MET 42 2HG MET 42 7.329 -13.712 -3.087 310 HG3 MET 42 3HG MET 42 8.493 -13.378 -4.358 311 HE1 MET 42 3HE MET 42 11.091 -13.341 -4.064 312 HE2 MET 42 1HE MET 42 11.022 -12.092 -2.797 313 HE3 MET 42 2HE MET 42 11.936 -13.587 -2.521 314 H VAL 43 H VAL 43 5.999 -9.330 -2.259 315 HA VAL 43 HA VAL 43 7.946 -7.210 -1.653 316 HB VAL 43 HB VAL 43 6.366 -7.165 -3.569 317 HG11 VAL 43 1HG1 VAL 43 4.272 -6.319 -1.529 318 HG12 VAL 43 2HG1 VAL 43 4.111 -6.309 -3.293 319 HG13 VAL 43 3HG1 VAL 43 4.281 -7.842 -2.431 320 HG21 VAL 43 3HG2 VAL 43 6.050 -4.769 -3.535 321 HG22 VAL 43 1HG2 VAL 43 6.230 -4.724 -1.774 322 HG23 VAL 43 2HG2 VAL 43 7.612 -5.167 -2.792 323 H ALA 44 H ALA 44 5.352 -8.701 0.179 324 HA ALA 44 HA ALA 44 4.779 -6.768 2.085 325 HB1 ALA 44 3HB ALA 44 3.658 -8.937 1.929 326 HB2 ALA 44 1HB ALA 44 5.119 -9.769 2.484 327 HB3 ALA 44 2HB ALA 44 4.260 -8.667 3.576 328 HA PRO 45 HA PRO 45 8.514 -7.666 4.915 329 HB2 PRO 45 2HB PRO 45 10.821 -8.777 3.908 330 HB3 PRO 45 3HB PRO 45 9.492 -9.724 4.643 331 HG2 PRO 45 2HG PRO 45 9.965 -9.170 1.695 332 HG3 PRO 45 3HG PRO 45 9.648 -10.749 2.486 333 HD2 PRO 45 2HD PRO 45 7.649 -9.392 1.323 334 HD3 PRO 45 3HD PRO 45 7.379 -10.192 2.895 335 H VAL 46 H VAL 46 9.049 -6.772 1.510 336 HA VAL 46 HA VAL 46 11.159 -4.853 2.110 337 HB VAL 46 HB VAL 46 9.457 -4.879 -0.396 338 HG11 VAL 46 1HG1 VAL 46 11.005 -2.919 0.082 339 HG12 VAL 46 2HG1 VAL 46 12.339 -4.077 0.092 340 HG13 VAL 46 3HG1 VAL 46 11.365 -3.821 -1.390 341 HG21 VAL 46 3HG2 VAL 46 11.957 -6.515 0.243 342 HG22 VAL 46 1HG2 VAL 46 10.349 -7.146 -0.183 343 HG23 VAL 46 2HG2 VAL 46 11.293 -6.276 -1.387 344 H LEU 47 H LEU 47 7.637 -4.641 1.525 345 HA LEU 47 HA LEU 47 7.337 -1.822 2.072 346 HB2 LEU 47 2HB LEU 47 5.533 -4.257 2.115 347 HB3 LEU 47 3HB LEU 47 4.929 -2.709 2.682 348 HG LEU 47 HG LEU 47 6.181 -2.949 -0.075 349 HD11 LEU 47 1HD1 LEU 47 4.403 -4.608 0.056 350 HD12 LEU 47 2HD1 LEU 47 3.879 -3.235 -0.933 351 HD13 LEU 47 3HD1 LEU 47 3.305 -3.405 0.750 352 HD21 LEU 47 3HD2 LEU 47 4.087 -1.053 1.089 353 HD22 LEU 47 1HD2 LEU 47 4.792 -0.978 -0.537 354 HD23 LEU 47 2HD2 LEU 47 5.801 -0.652 0.879 355 H GLU 48 H GLU 48 7.390 -4.680 4.247 356 HA GLU 48 HA GLU 48 6.622 -3.335 6.642 357 HB2 GLU 48 2HB GLU 48 6.758 -5.816 6.238 358 HB3 GLU 48 3HB GLU 48 8.520 -5.697 6.308 359 HG2 GLU 48 2HG GLU 48 8.312 -4.820 8.648 360 HG3 GLU 48 3HG GLU 48 6.559 -5.017 8.506 361 H GLU 49 H GLU 49 9.903 -3.916 5.268 362 HA GLU 49 HA GLU 49 11.335 -2.322 7.192 363 HB2 GLU 49 2HB GLU 49 11.930 -3.084 4.306 364 HB3 GLU 49 3HB GLU 49 13.010 -2.095 5.298 365 HG2 GLU 49 2HG GLU 49 13.206 -3.883 6.963 366 HG3 GLU 49 3HG GLU 49 12.068 -4.889 6.064 367 H ILE 50 H ILE 50 9.914 -1.409 3.981 368 HA ILE 50 HA ILE 50 10.619 1.339 4.195 369 HB ILE 50 HB ILE 50 9.120 -0.371 2.417 370 HG12 ILE 50 2HG1 ILE 50 9.814 1.131 0.725 371 HG13 ILE 50 3HG1 ILE 50 10.225 2.400 1.893 372 HG21 ILE 50 1HG2 ILE 50 7.541 1.189 1.428 373 HG22 ILE 50 2HG2 ILE 50 7.074 0.701 3.048 374 HG23 ILE 50 3HG2 ILE 50 7.784 2.321 2.772 375 HD11 ILE 50 3HD1 ILE 50 12.124 1.053 2.670 376 HD12 ILE 50 1HD1 ILE 50 11.574 -0.324 1.675 377 HD13 ILE 50 2HD1 ILE 50 12.161 1.165 0.904 378 H ALA 51 H ALA 51 7.747 -0.290 5.532 379 HA ALA 51 HA ALA 51 6.487 2.067 6.549 380 HB1 ALA 51 3HB ALA 51 6.458 -0.747 7.737 381 HB2 ALA 51 1HB ALA 51 5.219 0.511 7.894 382 HB3 ALA 51 2HB ALA 51 5.512 -0.271 6.324 383 H THR 52 H THR 52 8.989 -0.077 7.913 384 HA THR 52 HA THR 52 8.955 1.175 10.549 385 HB THR 52 HB THR 52 11.032 -0.659 9.289 386 HG1 THR 52 HG1 THR 52 9.094 -1.694 9.303 387 HG21 THR 52 3HG2 THR 52 11.472 -1.317 11.652 388 HG22 THR 52 1HG2 THR 52 10.384 -0.024 12.204 389 HG23 THR 52 2HG2 THR 52 11.891 0.373 11.346 390 H GLU 53 H GLU 53 10.915 1.548 7.628 391 HA GLU 53 HA GLU 53 12.842 3.354 8.872 392 HB2 GLU 53 2HB GLU 53 12.387 2.491 5.996 393 HB3 GLU 53 3HB GLU 53 13.778 3.412 6.592 394 HG2 GLU 53 2HG GLU 53 14.405 1.548 8.070 395 HG3 GLU 53 3HG GLU 53 13.080 0.594 7.534 396 H ARG 54 H ARG 54 10.076 3.795 6.631 397 HA ARG 54 HA ARG 54 10.813 6.661 6.279 398 HB2 ARG 54 2HB ARG 54 8.856 5.070 4.611 399 HB3 ARG 54 3HB ARG 54 9.607 6.601 4.206 400 HG2 ARG 54 2HG ARG 54 10.970 3.882 4.397 401 HG3 ARG 54 3HG ARG 54 10.597 4.751 2.921 402 HD2 ARG 54 2HD ARG 54 12.356 6.229 3.156 403 HD3 ARG 54 3HD ARG 54 12.373 6.126 4.923 404 HE ARG 54 HE ARG 54 13.115 3.582 3.859 405 HH11 ARG 54 1HH1 ARG 54 14.503 6.779 4.202 406 HH12 ARG 54 2HH1 ARG 54 16.104 6.148 4.461 407 HH21 ARG 54 1HH2 ARG 54 15.121 2.846 4.322 408 HH22 ARG 54 2HH2 ARG 54 16.453 3.965 4.471 409 H ALA 55 H ALA 55 9.070 5.362 8.521 410 HA ALA 55 HA ALA 55 6.459 6.238 8.462 411 HB1 ALA 55 3HB ALA 55 8.372 6.213 10.834 412 HB2 ALA 55 1HB ALA 55 6.597 6.197 10.923 413 HB3 ALA 55 2HB ALA 55 7.456 4.824 10.207 414 H THR 56 H THR 56 9.289 8.286 9.189 415 HA THR 56 HA THR 56 7.843 10.609 10.074 416 HB THR 56 HB THR 56 10.603 10.544 8.803 417 HG1 THR 56 HG1 THR 56 9.903 10.012 11.501 418 HG21 THR 56 3HG2 THR 56 11.103 12.300 10.509 419 HG22 THR 56 1HG2 THR 56 9.386 12.307 10.979 420 HG23 THR 56 2HG2 THR 56 9.876 12.812 9.347 421 H ASP 57 H ASP 57 8.559 9.384 6.876 422 HA ASP 57 HA ASP 57 7.980 11.992 5.544 423 HB2 ASP 57 2HB ASP 57 9.140 9.367 4.526 424 HB3 ASP 57 3HB ASP 57 8.856 10.793 3.543 425 H LEU 58 H LEU 58 6.835 8.635 5.753 426 HA LEU 58 HA LEU 58 4.234 9.373 4.600 427 HB2 LEU 58 2HB LEU 58 4.300 7.566 2.936 428 HB3 LEU 58 3HB LEU 58 5.472 8.834 2.646 429 HG LEU 58 HG LEU 58 7.283 7.323 3.543 430 HD11 LEU 58 1HD1 LEU 58 6.732 4.843 3.424 431 HD12 LEU 58 2HD1 LEU 58 5.014 5.290 3.463 432 HD13 LEU 58 3HD1 LEU 58 6.090 5.665 4.837 433 HD21 LEU 58 3HD2 LEU 58 6.840 7.631 1.136 434 HD22 LEU 58 1HD2 LEU 58 5.658 6.302 1.177 435 HD23 LEU 58 2HD2 LEU 58 7.383 5.989 1.488 436 H THR 59 H THR 59 2.629 7.616 4.807 437 HA THR 59 HA THR 59 3.186 5.735 7.096 438 HB THR 59 HB THR 59 0.560 6.938 6.168 439 HG1 THR 59 HG1 THR 59 0.625 7.687 8.339 440 HG21 THR 59 3HG2 THR 59 -0.429 5.771 8.137 441 HG22 THR 59 1HG2 THR 59 1.093 4.881 8.363 442 HG23 THR 59 2HG2 THR 59 0.103 4.631 6.903 443 H VAL 60 H VAL 60 2.744 3.515 6.784 444 HA VAL 60 HA VAL 60 2.127 2.721 3.957 445 HB VAL 60 HB VAL 60 3.945 1.264 5.893 446 HG11 VAL 60 1HG1 VAL 60 2.784 -0.280 4.310 447 HG12 VAL 60 2HG1 VAL 60 3.266 0.752 2.949 448 HG13 VAL 60 3HG1 VAL 60 4.491 -0.118 3.895 449 HG21 VAL 60 3HG2 VAL 60 4.568 2.872 3.379 450 HG22 VAL 60 1HG2 VAL 60 5.003 3.311 5.050 451 HG23 VAL 60 2HG2 VAL 60 5.720 1.893 4.306 452 H ALA 61 H ALA 61 0.458 1.521 3.608 453 HA ALA 61 HA ALA 61 -1.001 0.241 5.855 454 HB1 ALA 61 3HB ALA 61 -3.064 1.147 4.845 455 HB2 ALA 61 1HB ALA 61 -1.934 2.459 5.248 456 HB3 ALA 61 2HB ALA 61 -2.097 1.922 3.570 457 H LYS 62 H LYS 62 -2.325 -1.543 5.328 458 HA LYS 62 HA LYS 62 -2.012 -2.730 2.587 459 HB2 LYS 62 2HB LYS 62 -1.759 -4.002 5.310 460 HB3 LYS 62 3HB LYS 62 -2.395 -4.947 3.961 461 HG2 LYS 62 2HG LYS 62 -0.419 -4.523 2.615 462 HG3 LYS 62 3HG LYS 62 0.274 -3.475 3.869 463 HD2 LYS 62 2HD LYS 62 0.464 -5.312 5.423 464 HD3 LYS 62 3HD LYS 62 -0.440 -6.402 4.373 465 HE2 LYS 62 2HE LYS 62 2.257 -5.166 3.653 466 HE3 LYS 62 3HE LYS 62 2.048 -6.758 4.393 467 HZ1 LYS 62 3HZ LYS 62 2.204 -7.051 2.033 468 HZ2 LYS 62 1HZ LYS 62 1.087 -5.932 1.698 469 HZ3 LYS 62 2HZ LYS 62 0.640 -7.338 2.423 470 H LEU 63 H LEU 63 -3.702 -3.345 1.531 471 HA LEU 63 HA LEU 63 -6.355 -3.643 2.886 472 HB2 LEU 63 2HB LEU 63 -6.260 -1.658 1.373 473 HB3 LEU 63 3HB LEU 63 -5.788 -2.692 0.045 474 HG LEU 63 HG LEU 63 -8.114 -2.001 -0.092 475 HD11 LEU 63 1HD1 LEU 63 -7.386 -4.336 -0.887 476 HD12 LEU 63 2HD1 LEU 63 -9.120 -4.044 -0.694 477 HD13 LEU 63 3HD1 LEU 63 -8.252 -4.961 0.528 478 HD21 LEU 63 3HD2 LEU 63 -8.601 -1.792 2.320 479 HD22 LEU 63 1HD2 LEU 63 -8.630 -3.563 2.464 480 HD23 LEU 63 2HD2 LEU 63 -9.830 -2.730 1.465 481 H ASP 64 H ASP 64 -6.843 -5.654 3.064 482 HA ASP 64 HA ASP 64 -5.503 -7.766 1.557 483 HB2 ASP 64 2HB ASP 64 -7.510 -7.673 3.835 484 HB3 ASP 64 3HB ASP 64 -6.980 -9.170 3.074 485 H VAL 65 H VAL 65 -6.246 -7.934 -0.551 486 HA VAL 65 HA VAL 65 -8.930 -7.323 -1.319 487 HB VAL 65 HB VAL 65 -8.429 -8.052 -3.509 488 HG11 VAL 65 1HG1 VAL 65 -6.580 -6.633 -4.032 489 HG12 VAL 65 2HG1 VAL 65 -7.400 -5.932 -2.632 490 HG13 VAL 65 3HG1 VAL 65 -5.882 -6.812 -2.407 491 HG21 VAL 65 3HG2 VAL 65 -5.799 -9.251 -2.601 492 HG22 VAL 65 1HG2 VAL 65 -7.230 -10.199 -3.065 493 HG23 VAL 65 2HG2 VAL 65 -6.435 -9.155 -4.247 494 H ASP 66 H ASP 66 -7.739 -10.196 0.055 495 HA ASP 66 HA ASP 66 -9.662 -12.066 -1.030 496 HB2 ASP 66 2HB ASP 66 -7.438 -12.609 0.047 497 HB3 ASP 66 3HB ASP 66 -8.135 -12.162 1.604 498 H THR 67 H THR 67 -9.800 -9.679 1.542 499 HA THR 67 HA THR 67 -12.535 -10.634 2.314 500 HB THR 67 HB THR 67 -10.899 -11.040 4.071 501 HG1 THR 67 HG1 THR 67 -12.112 -10.122 5.689 502 HG21 THR 67 3HG2 THR 67 -10.595 -8.012 4.229 503 HG22 THR 67 1HG2 THR 67 -9.344 -9.172 3.735 504 HG23 THR 67 2HG2 THR 67 -9.959 -9.196 5.390 505 H ASN 68 H ASN 68 -10.642 -7.864 1.246 506 HA ASN 68 HA ASN 68 -13.231 -6.386 0.979 507 HB2 ASN 68 2HB ASN 68 -10.463 -5.263 1.527 508 HB3 ASN 68 3HB ASN 68 -11.902 -4.301 1.173 509 HD21 ASN 68 1HD2 ASN 68 -13.888 -4.936 2.692 510 HD22 ASN 68 2HD2 ASN 68 -13.444 -5.160 4.368 511 HA PRO 69 HA PRO 69 -11.573 -7.030 -3.338 512 HB2 PRO 69 2HB PRO 69 -13.767 -8.260 -4.406 513 HB3 PRO 69 3HB PRO 69 -12.452 -9.156 -3.588 514 HG2 PRO 69 2HG PRO 69 -15.096 -8.246 -2.401 515 HG3 PRO 69 3HG PRO 69 -14.351 -9.876 -2.324 516 HD2 PRO 69 2HD PRO 69 -14.093 -8.091 -0.297 517 HD3 PRO 69 3HD PRO 69 -12.740 -9.170 -0.755 518 H GLU 70 H GLU 70 -14.379 -5.730 -1.688 519 HA GLU 70 HA GLU 70 -15.532 -4.106 -3.726 520 HB2 GLU 70 2HB GLU 70 -15.239 -3.400 -0.786 521 HB3 GLU 70 3HB GLU 70 -16.476 -2.836 -1.906 522 HG2 GLU 70 2HG GLU 70 -16.152 -5.632 -0.734 523 HG3 GLU 70 3HG GLU 70 -17.399 -4.457 -0.349 524 H THR 71 H THR 71 -12.888 -3.382 -1.397 525 HA THR 71 HA THR 71 -12.322 -0.768 -2.480 526 HB THR 71 HB THR 71 -10.323 -2.272 -0.871 527 HG1 THR 71 HG1 THR 71 -12.819 -1.295 0.022 528 HG21 THR 71 3HG2 THR 71 -9.930 0.117 -1.504 529 HG22 THR 71 1HG2 THR 71 -10.080 -0.120 0.246 530 HG23 THR 71 2HG2 THR 71 -11.435 0.562 -0.676 531 H ALA 72 H ALA 72 -11.046 -4.013 -3.098 532 HA ALA 72 HA ALA 72 -8.769 -3.307 -4.659 533 HB1 ALA 72 3HB ALA 72 -10.553 -5.742 -5.029 534 HB2 ALA 72 1HB ALA 72 -8.822 -5.584 -5.385 535 HB3 ALA 72 2HB ALA 72 -9.389 -5.571 -3.702 536 H ARG 73 H ARG 73 -12.192 -3.887 -5.721 537 HA ARG 73 HA ARG 73 -11.471 -3.026 -8.435 538 HB2 ARG 73 2HB ARG 73 -13.597 -3.591 -9.159 539 HB3 ARG 73 3HB ARG 73 -13.075 -4.856 -8.050 540 HG2 ARG 73 2HG ARG 73 -14.508 -3.875 -6.272 541 HG3 ARG 73 3HG ARG 73 -15.024 -2.595 -7.387 542 HD2 ARG 73 2HD ARG 73 -15.928 -4.299 -8.943 543 HD3 ARG 73 3HD ARG 73 -15.457 -5.586 -7.835 544 HE ARG 73 HE ARG 73 -17.722 -3.725 -7.586 545 HH11 ARG 73 2HH1 ARG 73 -15.777 -6.056 -5.826 546 HH12 ARG 73 1HH1 ARG 73 -16.944 -6.156 -4.515 547 HH21 ARG 73 1HH2 ARG 73 -19.119 -3.883 -5.858 548 HH22 ARG 73 2HH2 ARG 73 -18.665 -4.836 -4.465 549 H ASN 74 H ASN 74 -12.743 -1.345 -5.647 550 HA ASN 74 HA ASN 74 -14.027 0.822 -6.839 551 HB2 ASN 74 2HB ASN 74 -13.938 0.397 -4.411 552 HB3 ASN 74 3HB ASN 74 -12.223 0.819 -4.376 553 HD21 ASN 74 1HD2 ASN 74 -11.654 3.053 -4.266 554 HD22 ASN 74 2HD2 ASN 74 -12.884 4.299 -4.251 555 H PHE 75 H PHE 75 -10.499 0.447 -6.394 556 HA PHE 75 HA PHE 75 -10.010 2.948 -7.954 557 HB2 PHE 75 2HB PHE 75 -8.091 1.261 -6.325 558 HB3 PHE 75 3HB PHE 75 -7.722 2.785 -7.113 559 HD1 PHE 75 HD2 PHE 75 -8.948 4.905 -6.360 560 HD2 PHE 75 HD1 PHE 75 -9.032 1.218 -4.121 561 HE1 PHE 75 HE2 PHE 75 -9.657 6.151 -4.330 562 HE2 PHE 75 HE1 PHE 75 -9.739 2.472 -2.092 563 HZ PHE 75 HZ PHE 75 -10.060 4.934 -2.199 564 H GLN 76 H GLN 76 -10.711 -0.023 -8.861 565 HA GLN 76 HA GLN 76 -10.009 -1.683 -10.190 566 HB2 GLN 76 2HB GLN 76 -10.741 0.111 -11.770 567 HB3 GLN 76 3HB GLN 76 -9.040 0.534 -12.023 568 HG2 GLN 76 2HG GLN 76 -8.601 -1.796 -12.823 569 HG3 GLN 76 3HG GLN 76 -10.278 -2.224 -12.500 570 HE21 GLN 76 1HE2 GLN 76 -8.202 -0.083 -14.538 571 HE22 GLN 76 2HE2 GLN 76 -9.387 0.048 -15.830 572 H VAL 77 H VAL 77 -8.379 -1.819 -8.242 573 HA VAL 77 HA VAL 77 -5.594 -2.027 -9.306 574 HB VAL 77 HB VAL 77 -4.881 -1.823 -6.972 575 HG11 VAL 77 1HG1 VAL 77 -4.770 0.105 -8.454 576 HG12 VAL 77 2HG1 VAL 77 -6.419 0.567 -7.995 577 HG13 VAL 77 3HG1 VAL 77 -5.121 0.591 -6.791 578 HG21 VAL 77 3HG2 VAL 77 -6.907 -2.440 -5.763 579 HG22 VAL 77 1HG2 VAL 77 -6.359 -0.823 -5.296 580 HG23 VAL 77 2HG2 VAL 77 -7.742 -0.993 -6.375 581 H VAL 78 H VAL 78 -7.912 -3.966 -9.354 582 HA VAL 78 HA VAL 78 -7.510 -6.087 -7.561 583 HB VAL 78 HB VAL 78 -8.805 -7.463 -9.157 584 HG11 VAL 78 1HG1 VAL 78 -10.853 -6.166 -9.099 585 HG12 VAL 78 2HG1 VAL 78 -9.954 -5.942 -7.593 586 HG13 VAL 78 3HG1 VAL 78 -9.945 -4.668 -8.837 587 HG21 VAL 78 3HG2 VAL 78 -7.925 -6.601 -11.313 588 HG22 VAL 78 1HG2 VAL 78 -9.687 -6.512 -11.230 589 HG23 VAL 78 2HG2 VAL 78 -8.723 -5.040 -11.018 590 H SER 79 H SER 79 -5.514 -5.291 -10.258 591 HA SER 79 HA SER 79 -4.550 -7.929 -10.928 592 HB2 SER 79 2HB SER 79 -3.395 -5.210 -11.632 593 HB3 SER 79 3HB SER 79 -3.062 -6.747 -12.451 594 HG SER 79 HG SER 79 -5.217 -6.815 -13.133 595 H ILE 80 H ILE 80 -4.209 -7.932 -8.319 596 HA ILE 80 HA ILE 80 -2.121 -6.570 -7.186 597 HB ILE 80 HB ILE 80 -2.363 -8.384 -5.305 598 HG12 ILE 80 2HG1 ILE 80 -4.311 -9.723 -5.250 599 HG13 ILE 80 3HG1 ILE 80 -4.838 -9.209 -6.845 600 HG21 ILE 80 1HG2 ILE 80 -4.867 -6.897 -6.213 601 HG22 ILE 80 2HG2 ILE 80 -4.376 -7.316 -4.554 602 HG23 ILE 80 3HG2 ILE 80 -3.477 -6.101 -5.474 603 HD11 ILE 80 3HD1 ILE 80 -2.328 -10.835 -6.298 604 HD12 ILE 80 1HD1 ILE 80 -3.896 -11.492 -6.807 605 HD13 ILE 80 2HD1 ILE 80 -3.019 -10.441 -7.900 606 HA PRO 81 HA PRO 81 -0.743 -6.863 -5.099 607 HB2 PRO 81 2HB PRO 81 1.812 -5.962 -4.712 608 HB3 PRO 81 3HB PRO 81 1.234 -7.528 -4.096 609 HG2 PRO 81 2HG PRO 81 2.779 -6.962 -6.630 610 HG3 PRO 81 3HG PRO 81 3.086 -8.246 -5.424 611 HD2 PRO 81 2HD PRO 81 1.738 -8.732 -7.750 612 HD3 PRO 81 3HD PRO 81 1.277 -9.546 -6.228 613 H THR 82 H THR 82 -1.140 -4.699 -5.068 614 HA THR 82 HA THR 82 -0.052 -2.989 -7.272 615 HB THR 82 HB THR 82 -2.944 -2.848 -6.393 616 HG1 THR 82 HG1 THR 82 -3.484 -4.153 -7.911 617 HG21 THR 82 3HG2 THR 82 -3.117 -1.633 -8.613 618 HG22 THR 82 1HG2 THR 82 -1.355 -1.702 -8.738 619 HG23 THR 82 2HG2 THR 82 -2.117 -0.788 -7.417 620 H LEU 83 H LEU 83 0.810 -1.200 -6.548 621 HA LEU 83 HA LEU 83 0.325 -0.310 -3.742 622 HB2 LEU 83 2HB LEU 83 2.698 -0.061 -5.619 623 HB3 LEU 83 3HB LEU 83 2.506 0.942 -4.191 624 HG LEU 83 HG LEU 83 2.506 -1.074 -2.740 625 HD11 LEU 83 1HD1 LEU 83 3.155 -2.568 -5.324 626 HD12 LEU 83 2HD1 LEU 83 1.806 -2.883 -4.203 627 HD13 LEU 83 3HD1 LEU 83 3.452 -3.205 -3.689 628 HD21 LEU 83 3HD2 LEU 83 4.899 -0.834 -4.615 629 HD22 LEU 83 1HD2 LEU 83 4.916 -1.508 -2.971 630 HD23 LEU 83 2HD2 LEU 83 4.572 0.211 -3.217 631 H ILE 84 H ILE 84 -0.725 1.547 -3.451 632 HA ILE 84 HA ILE 84 -0.620 3.647 -5.582 633 HB ILE 84 HB ILE 84 -2.917 3.062 -3.683 634 HG12 ILE 84 2HG1 ILE 84 -2.836 1.686 -5.798 635 HG13 ILE 84 3HG1 ILE 84 -4.278 2.678 -5.606 636 HG21 ILE 84 1HG2 ILE 84 -4.025 5.051 -4.777 637 HG22 ILE 84 2HG2 ILE 84 -2.653 5.476 -3.758 638 HG23 ILE 84 3HG2 ILE 84 -2.458 5.472 -5.509 639 HD11 ILE 84 3HD1 ILE 84 -3.326 2.681 -7.930 640 HD12 ILE 84 1HD1 ILE 84 -3.481 4.301 -7.223 641 HD13 ILE 84 2HD1 ILE 84 -1.895 3.523 -7.286 642 H LEU 85 H LEU 85 0.353 5.424 -5.020 643 HA LEU 85 HA LEU 85 0.674 6.018 -2.134 644 HB2 LEU 85 2HB LEU 85 2.772 5.936 -3.563 645 HB3 LEU 85 3HB LEU 85 2.121 7.303 -4.468 646 HG LEU 85 HG LEU 85 2.031 8.565 -2.224 647 HD11 LEU 85 1HD1 LEU 85 3.877 6.308 -1.356 648 HD12 LEU 85 2HD1 LEU 85 2.261 6.651 -0.693 649 HD13 LEU 85 3HD1 LEU 85 3.570 7.813 -0.465 650 HD21 LEU 85 3HD2 LEU 85 4.428 9.134 -2.309 651 HD22 LEU 85 1HD2 LEU 85 3.756 8.990 -3.941 652 HD23 LEU 85 2HD2 LEU 85 4.751 7.676 -3.272 653 H PHE 86 H PHE 86 -0.738 7.328 -1.299 654 HA PHE 86 HA PHE 86 -2.190 9.368 -2.915 655 HB2 PHE 86 2HB PHE 86 -2.642 8.375 -0.089 656 HB3 PHE 86 3HB PHE 86 -3.589 9.605 -0.888 657 HD1 PHE 86 HD1 PHE 86 -2.749 5.957 -0.929 658 HD2 PHE 86 HD2 PHE 86 -5.488 9.030 -2.207 659 HE1 PHE 86 HE1 PHE 86 -4.350 4.223 -1.702 660 HE2 PHE 86 HE2 PHE 86 -7.074 7.297 -2.992 661 HZ PHE 86 HZ PHE 86 -6.507 4.890 -2.752 662 H LYS 87 H LYS 87 -2.117 11.531 -2.305 663 HA LYS 87 HA LYS 87 -0.539 12.280 0.090 664 HB2 LYS 87 2HB LYS 87 -0.396 13.867 -2.489 665 HB3 LYS 87 3HB LYS 87 0.318 14.305 -0.940 666 HG2 LYS 87 2HG LYS 87 1.756 12.256 -1.028 667 HG3 LYS 87 3HG LYS 87 1.100 11.887 -2.631 668 HD2 LYS 87 2HD LYS 87 1.924 14.126 -3.434 669 HD3 LYS 87 3HD LYS 87 2.686 14.374 -1.849 670 HE2 LYS 87 2HE LYS 87 4.067 12.356 -2.176 671 HE3 LYS 87 3HE LYS 87 3.271 12.034 -3.721 672 HZ1 LYS 87 3HZ LYS 87 5.381 13.182 -4.070 673 HZ2 LYS 87 1HZ LYS 87 4.924 14.436 -3.124 674 HZ3 LYS 87 2HZ LYS 87 4.167 14.162 -4.543 675 H ASP 88 H ASP 88 -1.641 13.676 1.394 676 HA ASP 88 HA ASP 88 -3.522 14.542 2.321 677 HB2 ASP 88 2HB ASP 88 -2.517 16.434 1.084 678 HB3 ASP 88 3HB ASP 88 -3.610 16.121 -0.263 679 H GLY 89 H GLY 89 -4.126 12.057 1.354 680 HA2 GLY 89 2HA GLY 89 -5.892 10.676 1.043 681 HA3 GLY 89 3HA GLY 89 -6.974 12.050 1.281 682 H GLN 90 H GLN 90 -4.759 12.370 -1.383 683 HA GLN 90 HA GLN 90 -6.835 11.508 -3.363 684 HB2 GLN 90 2HB GLN 90 -4.956 13.895 -3.361 685 HB3 GLN 90 3HB GLN 90 -5.888 13.388 -4.769 686 HG2 GLN 90 2HG GLN 90 -7.926 14.061 -3.868 687 HG3 GLN 90 3HG GLN 90 -7.406 13.869 -2.200 688 HE21 GLN 90 1HE2 GLN 90 -6.176 15.538 -1.147 689 HE22 GLN 90 2HE2 GLN 90 -6.099 17.145 -1.854 690 HA PRO 91 HA PRO 91 -3.507 8.823 -4.649 691 HB2 PRO 91 2HB PRO 91 -4.323 8.022 -7.128 692 HB3 PRO 91 3HB PRO 91 -5.093 7.481 -5.605 693 HG2 PRO 91 2HG PRO 91 -5.989 9.721 -7.448 694 HG3 PRO 91 3HG PRO 91 -6.979 8.400 -6.748 695 HD2 PRO 91 2HD PRO 91 -6.898 10.880 -5.629 696 HD3 PRO 91 3HD PRO 91 -6.981 9.408 -4.612 697 H VAL 92 H VAL 92 -1.547 9.072 -5.562 698 HA VAL 92 HA VAL 92 -1.084 11.292 -7.531 699 HB VAL 92 HB VAL 92 0.495 10.580 -5.032 700 HG11 VAL 92 1HG1 VAL 92 2.121 11.161 -6.769 701 HG12 VAL 92 2HG1 VAL 92 1.158 12.584 -7.234 702 HG13 VAL 92 3HG1 VAL 92 1.956 12.511 -5.649 703 HG21 VAL 92 3HG2 VAL 92 -1.442 11.991 -4.565 704 HG22 VAL 92 1HG2 VAL 92 -0.006 13.015 -4.530 705 HG23 VAL 92 2HG2 VAL 92 -1.067 13.048 -5.942 706 H LYS 93 H LYS 93 0.127 8.101 -6.389 707 HA LYS 93 HA LYS 93 1.130 7.643 -9.144 708 HB2 LYS 93 2HB LYS 93 3.018 8.580 -7.845 709 HB3 LYS 93 3HB LYS 93 2.908 7.227 -6.711 710 HG2 LYS 93 2HG LYS 93 3.587 5.645 -8.389 711 HG3 LYS 93 3HG LYS 93 3.269 6.790 -9.702 712 HD2 LYS 93 2HD LYS 93 5.647 6.527 -9.389 713 HD3 LYS 93 3HD LYS 93 5.165 8.184 -8.998 714 HE2 LYS 93 2HE LYS 93 5.262 7.676 -6.587 715 HE3 LYS 93 3HE LYS 93 5.603 5.971 -6.943 716 HZ1 LYS 93 3HZ LYS 93 7.644 7.123 -6.474 717 HZ2 LYS 93 1HZ LYS 93 7.377 8.262 -7.627 718 HZ3 LYS 93 2HZ LYS 93 7.646 6.673 -8.046 719 H ARG 94 H ARG 94 1.275 5.563 -9.813 720 HA ARG 94 HA ARG 94 0.143 3.390 -8.107 721 HB2 ARG 94 2HB ARG 94 -1.574 4.250 -9.636 722 HB3 ARG 94 3HB ARG 94 -0.485 4.070 -11.013 723 HG2 ARG 94 2HG ARG 94 -0.487 1.631 -10.769 724 HG3 ARG 94 3HG ARG 94 -1.472 1.744 -9.295 725 HD2 ARG 94 2HD ARG 94 -3.307 2.743 -10.578 726 HD3 ARG 94 3HD ARG 94 -2.323 2.744 -12.050 727 HE ARG 94 HE ARG 94 -2.216 0.196 -11.731 728 HH11 ARG 94 1HH2 ARG 94 -5.104 2.018 -10.849 729 HH12 ARG 94 2HH2 ARG 94 -6.111 0.598 -11.032 730 HH21 ARG 94 1HH1 ARG 94 -3.634 -1.509 -12.007 731 HH22 ARG 94 2HH1 ARG 94 -5.338 -1.243 -11.676 732 H ILE 95 H ILE 95 1.112 1.493 -8.163 733 HA ILE 95 HA ILE 95 3.060 0.790 -10.268 734 HB ILE 95 HB ILE 95 4.073 -0.033 -7.644 735 HG12 ILE 95 2HG1 ILE 95 4.076 2.980 -8.107 736 HG13 ILE 95 3HG1 ILE 95 3.189 2.134 -6.830 737 HG21 ILE 95 1HG2 ILE 95 5.230 -0.156 -9.862 738 HG22 ILE 95 2HG2 ILE 95 5.304 1.617 -9.895 739 HG23 ILE 95 3HG2 ILE 95 6.185 0.709 -8.654 740 HD11 ILE 95 3HD1 ILE 95 5.154 3.093 -5.880 741 HD12 ILE 95 1HD1 ILE 95 5.358 1.328 -5.892 742 HD13 ILE 95 2HD1 ILE 95 6.203 2.345 -7.089 743 H VAL 96 H VAL 96 3.287 -1.493 -10.584 744 HA VAL 96 HA VAL 96 1.574 -3.271 -8.935 745 HB VAL 96 HB VAL 96 0.042 -2.684 -10.580 746 HG11 VAL 96 1HG1 VAL 96 1.476 -1.677 -12.313 747 HG12 VAL 96 2HG1 VAL 96 2.148 -3.274 -12.715 748 HG13 VAL 96 3HG1 VAL 96 0.439 -2.907 -13.033 749 HG21 VAL 96 3HG2 VAL 96 1.143 -5.329 -11.560 750 HG22 VAL 96 1HG2 VAL 96 0.125 -5.091 -10.116 751 HG23 VAL 96 2HG2 VAL 96 -0.507 -4.704 -11.717 752 H GLY 97 H GLY 97 2.052 -5.428 -8.935 753 HA2 GLY 97 2HA GLY 97 3.394 -7.331 -9.115 754 HA3 GLY 97 3HA GLY 97 4.475 -6.503 -10.236 755 H ALA 98 H ALA 98 5.544 -8.070 -8.210 756 HA ALA 98 HA ALA 98 6.043 -6.678 -5.770 757 HB1 ALA 98 3HB ALA 98 6.216 -9.107 -5.973 758 HB2 ALA 98 1HB ALA 98 7.586 -8.948 -7.099 759 HB3 ALA 98 2HB ALA 98 7.751 -8.442 -5.405 760 H LYS 99 H LYS 99 8.044 -5.900 -4.925 761 HA LYS 99 HA LYS 99 10.137 -4.996 -6.827 762 HB2 LYS 99 2HB LYS 99 8.832 -3.231 -4.708 763 HB3 LYS 99 3HB LYS 99 10.426 -2.933 -5.381 764 HG2 LYS 99 2HG LYS 99 9.267 -1.607 -6.793 765 HG3 LYS 99 3HG LYS 99 9.202 -3.104 -7.714 766 HD2 LYS 99 2HD LYS 99 6.893 -3.470 -6.435 767 HD3 LYS 99 3HD LYS 99 7.059 -1.767 -6.022 768 HE2 LYS 99 2HE LYS 99 5.747 -1.796 -7.970 769 HE3 LYS 99 3HE LYS 99 7.354 -1.297 -8.523 770 HZ1 LYS 99 3HZ LYS 99 6.184 -4.018 -8.704 771 HZ2 LYS 99 1HZ LYS 99 7.695 -3.656 -9.214 772 HZ3 LYS 99 2HZ LYS 99 6.382 -3.015 -9.973 773 H GLY 100 H GLY 100 12.201 -4.972 -5.966 774 HA2 GLY 100 2HA GLY 100 12.711 -6.193 -3.301 775 HA3 GLY 100 3HA GLY 100 13.913 -5.815 -4.536 776 H LYS 101 H LYS 101 14.228 -4.992 -1.904 777 HA LYS 101 HA LYS 101 13.371 -2.497 -1.081 778 HB2 LYS 101 2HB LYS 101 14.943 -4.196 0.071 779 HB3 LYS 101 3HB LYS 101 16.255 -3.456 -0.822 780 HG2 LYS 101 2HG LYS 101 16.266 -2.533 1.361 781 HG3 LYS 101 3HG LYS 101 15.731 -1.251 0.272 782 HD2 LYS 101 2HD LYS 101 13.361 -1.712 0.924 783 HD3 LYS 101 3HD LYS 101 13.909 -2.987 2.016 784 HE2 LYS 101 2HE LYS 101 14.584 -0.008 2.218 785 HE3 LYS 101 3HE LYS 101 13.373 -0.882 3.156 786 HZ1 LYS 101 3HZ LYS 101 15.188 -2.293 4.038 787 HZ2 LYS 101 1HZ LYS 101 15.341 -0.718 4.471 788 HZ3 LYS 101 2HZ LYS 101 16.297 -1.341 3.291 789 H ALA 102 H ALA 102 15.868 -3.028 -3.449 790 HA ALA 102 HA ALA 102 16.723 -0.265 -3.613 791 HB1 ALA 102 3HB ALA 102 18.141 -2.139 -4.349 792 HB2 ALA 102 1HB ALA 102 16.987 -2.529 -5.646 793 HB3 ALA 102 2HB ALA 102 17.874 -0.990 -5.673 794 H ALA 103 H ALA 103 14.411 -2.160 -5.636 795 HA ALA 103 HA ALA 103 13.726 0.082 -7.330 796 HB1 ALA 103 3HB ALA 103 11.934 -1.435 -8.119 797 HB2 ALA 103 1HB ALA 103 13.513 -2.241 -8.074 798 HB3 ALA 103 2HB ALA 103 12.313 -2.569 -6.805 799 H LEU 104 H LEU 104 12.149 -1.387 -4.429 800 HA LEU 104 HA LEU 104 9.916 0.396 -4.457 801 HB2 LEU 104 2HB LEU 104 10.077 -1.803 -3.186 802 HB3 LEU 104 3HB LEU 104 11.141 -0.996 -2.038 803 HG LEU 104 HG LEU 104 9.282 0.656 -1.568 804 HD11 LEU 104 1HD1 LEU 104 6.972 0.014 -2.201 805 HD12 LEU 104 2HD1 LEU 104 7.617 -1.269 -3.247 806 HD13 LEU 104 3HD1 LEU 104 7.929 0.446 -3.611 807 HD21 LEU 104 3HD2 LEU 104 8.637 -2.280 -1.106 808 HD22 LEU 104 1HD2 LEU 104 7.901 -0.908 -0.247 809 HD23 LEU 104 2HD2 LEU 104 9.624 -1.215 -0.069 810 H LEU 105 H LEU 105 13.095 0.622 -2.690 811 HA LEU 105 HA LEU 105 12.329 3.221 -1.705 812 HB2 LEU 105 2HB LEU 105 13.928 1.697 -0.503 813 HB3 LEU 105 3HB LEU 105 15.141 2.124 -1.706 814 HG LEU 105 HG LEU 105 15.036 4.497 -1.032 815 HD11 LEU 105 1HD1 LEU 105 12.925 3.609 0.987 816 HD12 LEU 105 2HD1 LEU 105 12.722 4.811 -0.315 817 HD13 LEU 105 3HD1 LEU 105 13.786 5.166 1.033 818 HD21 LEU 105 3HD2 LEU 105 15.283 2.671 1.376 819 HD22 LEU 105 1HD2 LEU 105 15.981 4.297 1.190 820 HD23 LEU 105 2HD2 LEU 105 16.546 2.971 0.161 821 H ARG 106 H ARG 106 13.800 2.313 -4.838 822 HA ARG 106 HA ARG 106 14.502 5.097 -5.407 823 HB2 ARG 106 2HB ARG 106 13.823 2.716 -7.153 824 HB3 ARG 106 3HB ARG 106 14.072 4.309 -7.852 825 HG2 ARG 106 2HG ARG 106 16.195 3.205 -5.990 826 HG3 ARG 106 3HG ARG 106 16.053 2.559 -7.621 827 HD2 ARG 106 2HD ARG 106 17.721 4.275 -7.616 828 HD3 ARG 106 3HD ARG 106 16.356 4.801 -8.590 829 HE ARG 106 HE ARG 106 17.160 5.834 -5.878 830 HH11 ARG 106 1HH2 ARG 106 15.193 6.430 -8.746 831 HH12 ARG 106 2HH2 ARG 106 14.830 8.047 -8.210 832 HH21 ARG 106 1HH1 ARG 106 16.680 7.733 -5.305 833 HH22 ARG 106 2HH1 ARG 106 15.663 8.807 -6.265 834 H GLU 107 H GLU 107 11.537 3.207 -6.094 835 HA GLU 107 HA GLU 107 10.059 5.464 -7.045 836 HB2 GLU 107 2HB GLU 107 9.154 2.789 -5.946 837 HB3 GLU 107 3HB GLU 107 8.027 4.007 -6.527 838 HG2 GLU 107 2HG GLU 107 10.254 2.733 -8.166 839 HG3 GLU 107 3HG GLU 107 8.536 2.358 -8.259 840 H LEU 108 H LEU 108 10.597 4.435 -3.715 841 HA LEU 108 HA LEU 108 8.829 6.640 -2.771 842 HB2 LEU 108 2HB LEU 108 10.331 4.493 -1.257 843 HB3 LEU 108 3HB LEU 108 9.248 5.677 -0.529 844 HG LEU 108 HG LEU 108 8.445 3.610 -2.620 845 HD11 LEU 108 1HD1 LEU 108 7.389 2.417 -0.811 846 HD12 LEU 108 2HD1 LEU 108 7.801 3.709 0.350 847 HD13 LEU 108 3HD1 LEU 108 9.072 2.730 -0.408 848 HD21 LEU 108 3HD2 LEU 108 6.705 5.536 -1.027 849 HD22 LEU 108 1HD2 LEU 108 6.113 4.199 -2.041 850 HD23 LEU 108 2HD2 LEU 108 6.956 5.549 -2.788 851 H SER 109 H SER 109 12.261 6.100 -3.266 852 HA SER 109 HA SER 109 13.121 8.325 -1.712 853 HB2 SER 109 2HB SER 109 14.765 6.821 -2.500 854 HB3 SER 109 3HB SER 109 14.399 7.199 -4.197 855 HG SER 109 HG SER 109 15.265 9.075 -2.229 856 H ASP 110 H ASP 110 11.529 8.006 -4.838 857 HA ASP 110 HA ASP 110 11.629 10.638 -5.875 858 HB2 ASP 110 2HB ASP 110 10.594 8.532 -6.845 859 HB3 ASP 110 3HB ASP 110 9.255 8.764 -5.719 860 H VAL 111 H VAL 111 10.218 9.592 -2.861 861 HA VAL 111 HA VAL 111 9.297 12.374 -2.373 862 HB VAL 111 HB VAL 111 7.519 10.498 -2.652 863 HG11 VAL 111 1HG1 VAL 111 6.707 9.522 -0.561 864 HG12 VAL 111 2HG1 VAL 111 8.287 8.885 -0.992 865 HG13 VAL 111 3HG1 VAL 111 8.143 10.100 0.301 866 HG21 VAL 111 3HG2 VAL 111 7.385 12.467 -0.325 867 HG22 VAL 111 1HG2 VAL 111 7.072 12.854 -2.029 868 HG23 VAL 111 2HG2 VAL 111 6.004 11.734 -1.161 869 H VAL 112 H VAL 112 11.349 9.874 -1.378 870 HA VAL 112 HA VAL 112 12.254 11.378 1.056 871 HB VAL 112 HB VAL 112 12.636 8.409 0.499 872 HG11 VAL 112 1HG1 VAL 112 14.385 9.403 1.948 873 HG12 VAL 112 2HG1 VAL 112 13.133 10.153 2.963 874 HG13 VAL 112 3HG1 VAL 112 13.305 8.390 2.896 875 HG21 VAL 112 3HG2 VAL 112 10.655 9.838 2.306 876 HG22 VAL 112 1HG2 VAL 112 10.269 8.766 0.947 877 HG23 VAL 112 2HG2 VAL 112 11.021 8.100 2.394 878 HA PRO 113 HA PRO 113 15.357 11.844 -2.330 879 HB2 PRO 113 2HB PRO 113 16.130 14.431 -1.817 880 HB3 PRO 113 3HB PRO 113 14.659 14.000 -2.739 881 HG2 PRO 113 2HG PRO 113 14.866 14.664 0.220 882 HG3 PRO 113 3HG PRO 113 13.744 15.365 -0.994 883 HD2 PRO 113 2HD PRO 113 12.964 13.346 0.617 884 HD3 PRO 113 3HD PRO 113 12.473 13.365 -1.105 885 H ASN 114 H ASN 114 15.550 11.708 1.050 886 HA ASN 114 HA ASN 114 18.391 12.183 1.419 887 HB2 ASN 114 2HB ASN 114 16.355 10.672 3.124 888 HB3 ASN 114 3HB ASN 114 17.969 11.151 3.642 889 HD21 ASN 114 2HD2 ASN 114 18.431 13.460 3.934 890 HD22 ASN 114 1HD2 ASN 114 17.088 14.573 4.145 891 H LEU 115 H LEU 115 16.483 9.246 0.695 892 HA LEU 115 HA LEU 115 18.800 7.806 -0.245 893 HB2 LEU 115 2HB LEU 115 18.851 7.535 2.346 894 HB3 LEU 115 3HB LEU 115 17.331 6.674 2.180 895 HG LEU 115 HG LEU 115 18.587 5.040 0.624 896 HD11 LEU 115 1HD1 LEU 115 20.591 6.508 0.195 897 HD12 LEU 115 2HD1 LEU 115 21.029 4.938 0.891 898 HD13 LEU 115 3HD1 LEU 115 21.004 6.391 1.911 899 HD21 LEU 115 3HD2 LEU 115 19.449 5.286 3.531 900 HD22 LEU 115 1HD2 LEU 115 19.602 3.831 2.518 901 HD23 LEU 115 2HD2 LEU 115 17.998 4.458 2.910 902 H ASN 116 H ASN 116 16.226 5.816 -1.876 903 HA ASN 116 HA ASN 116 19.154 6.069 -1.453 904 HB2 ASN 116 2HB ASN 116 18.232 3.799 -1.616 905 HB3 ASN 116 3HB ASN 116 17.440 4.204 -3.142 906 HD21 ASN 116 1HD2 ASN 116 20.724 4.146 -1.649 907 HD22 ASN 116 2HD2 ASN 116 21.514 3.632 -3.131 Start of MODEL 2 1 H1 MET 1 1H MET 1 12.116 3.945 22.053 2 H2 MET 1 2H MET 1 13.345 3.877 23.135 3 HA MET 1 HA MET 1 13.227 1.902 21.753 4 HB2 MET 1 2HB MET 1 13.427 0.234 23.471 5 HB3 MET 1 3HB MET 1 14.217 1.713 23.999 6 HG2 MET 1 2HG MET 1 12.251 2.256 25.418 7 HG3 MET 1 3HG MET 1 11.457 0.769 24.900 8 HE1 MET 1 3HE MET 1 12.031 -1.610 25.688 9 HE2 MET 1 1HE MET 1 13.663 -1.508 24.986 10 HE3 MET 1 2HE MET 1 13.451 -2.044 26.664 11 H THR 2 H THR 2 12.165 -0.079 21.274 12 HA THR 2 HA THR 2 10.496 -1.354 20.511 13 HB THR 2 HB THR 2 8.914 -0.511 22.947 14 HG1 THR 2 HG1 THR 2 9.924 -2.317 23.868 15 HG21 THR 2 3HG2 THR 2 8.867 -3.043 21.236 16 HG22 THR 2 1HG2 THR 2 7.573 -1.827 21.340 17 HG23 THR 2 2HG2 THR 2 7.973 -2.804 22.756 18 H ASP 3 H ASP 3 8.399 1.320 21.742 19 HA ASP 3 HA ASP 3 6.712 1.207 19.378 20 HB2 ASP 3 2HB ASP 3 6.953 3.202 21.659 21 HB3 ASP 3 3HB ASP 3 5.759 3.330 20.367 22 H SER 4 H SER 4 9.654 2.909 20.140 23 HA SER 4 HA SER 4 9.536 4.684 17.795 24 HB2 SER 4 2HB SER 4 11.773 5.380 18.577 25 HB3 SER 4 3HB SER 4 10.547 5.481 19.848 26 HG SER 4 HG SER 4 12.693 3.689 19.562 27 H GLU 5 H GLU 5 10.190 1.405 18.184 28 HA GLU 5 HA GLU 5 12.234 1.305 15.989 29 HB2 GLU 5 2HB GLU 5 11.814 -0.512 18.389 30 HB3 GLU 5 3HB GLU 5 12.960 -0.814 17.087 31 HG2 GLU 5 2HG GLU 5 14.168 1.201 17.617 32 HG3 GLU 5 3HG GLU 5 13.020 1.587 18.895 33 H LYS 6 H LYS 6 9.064 0.305 16.839 34 HA LYS 6 HA LYS 6 8.939 -2.046 15.165 35 HB2 LYS 6 2HB LYS 6 6.652 -2.152 15.824 36 HB3 LYS 6 3HB LYS 6 7.610 -1.640 17.218 37 HG2 LYS 6 2HG LYS 6 6.921 0.742 16.762 38 HG3 LYS 6 3HG LYS 6 5.893 0.158 15.441 39 HD2 LYS 6 2HD LYS 6 4.620 -1.238 17.075 40 HD3 LYS 6 3HD LYS 6 5.625 -0.585 18.386 41 HE2 LYS 6 2HE LYS 6 4.887 1.742 17.678 42 HE3 LYS 6 3HE LYS 6 3.788 0.986 16.517 43 HZ1 LYS 6 3HZ LYS 6 2.732 -0.152 18.455 44 HZ2 LYS 6 1HZ LYS 6 2.607 1.474 18.550 45 HZ3 LYS 6 2HZ LYS 6 3.701 0.699 19.479 46 H SER 7 H SER 7 7.453 -2.393 13.400 47 HA SER 7 HA SER 7 7.790 -0.571 11.218 48 HB2 SER 7 2HB SER 7 5.788 -2.844 11.390 49 HB3 SER 7 3HB SER 7 6.522 -2.141 9.937 50 HG SER 7 HG SER 7 8.565 -2.880 10.745 51 H ALA 8 H ALA 8 6.525 1.121 10.480 52 HA ALA 8 HA ALA 8 4.075 1.766 11.913 53 HB1 ALA 8 3HB ALA 8 5.364 3.235 9.592 54 HB2 ALA 8 1HB ALA 8 4.116 3.840 10.691 55 HB3 ALA 8 2HB ALA 8 5.740 3.492 11.315 56 H THR 9 H THR 9 3.342 -0.503 11.079 57 HA THR 9 HA THR 9 2.004 -0.373 8.429 58 HB THR 9 HB THR 9 1.675 -2.847 8.776 59 HG1 THR 9 HG1 THR 9 2.109 -2.939 11.006 60 HG21 THR 9 3HG2 THR 9 3.906 -3.435 8.068 61 HG22 THR 9 1HG2 THR 9 4.565 -1.928 8.728 62 HG23 THR 9 2HG2 THR 9 3.468 -1.886 7.325 63 H ILE 10 H ILE 10 -0.144 -0.595 8.144 64 HA ILE 10 HA ILE 10 -1.935 -1.411 10.377 65 HB ILE 10 HB ILE 10 -3.551 0.351 9.801 66 HG12 ILE 10 2HG1 ILE 10 -1.359 1.614 8.096 67 HG13 ILE 10 3HG1 ILE 10 -2.803 0.810 7.474 68 HG21 ILE 10 1HG2 ILE 10 -0.902 1.605 10.609 69 HG22 ILE 10 2HG2 ILE 10 -2.537 2.142 11.043 70 HG23 ILE 10 3HG2 ILE 10 -1.918 0.619 11.684 71 HD11 ILE 10 3HD1 ILE 10 -2.749 3.376 9.093 72 HD12 ILE 10 1HD1 ILE 10 -3.144 3.177 7.380 73 HD13 ILE 10 2HD1 ILE 10 -4.229 2.503 8.613 74 H LYS 11 H LYS 11 -3.957 -2.246 9.741 75 HA LYS 11 HA LYS 11 -4.255 -2.936 6.843 76 HB2 LYS 11 2HB LYS 11 -4.410 -4.877 8.275 77 HB3 LYS 11 3HB LYS 11 -5.647 -4.100 9.279 78 HG2 LYS 11 2HG LYS 11 -7.240 -4.094 7.445 79 HG3 LYS 11 3HG LYS 11 -5.998 -4.627 6.294 80 HD2 LYS 11 2HD LYS 11 -5.811 -6.776 7.421 81 HD3 LYS 11 3HD LYS 11 -6.966 -6.266 8.673 82 HE2 LYS 11 2HE LYS 11 -8.767 -6.075 7.041 83 HE3 LYS 11 3HE LYS 11 -7.640 -6.283 5.698 84 HZ1 LYS 11 3HZ LYS 11 -8.821 -8.335 6.111 85 HZ2 LYS 11 1HZ LYS 11 -8.308 -8.396 7.675 86 HZ3 LYS 11 2HZ LYS 11 -7.233 -8.551 6.434 87 H VAL 12 H VAL 12 -5.896 -2.144 5.686 88 HA VAL 12 HA VAL 12 -7.904 -0.355 6.994 89 HB VAL 12 HB VAL 12 -8.036 0.963 4.941 90 HG11 VAL 12 1HG1 VAL 12 -6.646 1.684 6.867 91 HG12 VAL 12 2HG1 VAL 12 -5.228 0.918 6.131 92 HG13 VAL 12 3HG1 VAL 12 -6.018 2.283 5.321 93 HG21 VAL 12 3HG2 VAL 12 -7.052 -0.672 3.314 94 HG22 VAL 12 1HG2 VAL 12 -6.306 0.932 3.242 95 HG23 VAL 12 2HG2 VAL 12 -5.460 -0.400 4.047 96 H THR 13 H THR 13 -10.008 -0.403 6.156 97 HA THR 13 HA THR 13 -10.731 -2.828 4.562 98 HB THR 13 HB THR 13 -12.645 -3.175 6.011 99 HG1 THR 13 HG1 THR 13 -12.790 -2.000 7.955 100 HG21 THR 13 3HG2 THR 13 -10.170 -2.944 7.771 101 HG22 THR 13 1HG2 THR 13 -10.481 -4.276 6.634 102 HG23 THR 13 2HG2 THR 13 -11.573 -4.008 8.004 103 H ASP 14 H ASP 14 -12.974 -2.706 3.648 104 HA ASP 14 HA ASP 14 -13.258 -0.390 2.074 105 HB2 ASP 14 2HB ASP 14 -14.145 -2.741 1.633 106 HB3 ASP 14 3HB ASP 14 -15.472 -2.380 2.724 107 H ALA 15 H ALA 15 -14.612 -1.031 5.245 108 HA ALA 15 HA ALA 15 -16.473 1.231 5.213 109 HB1 ALA 15 3HB ALA 15 -15.550 -0.618 7.453 110 HB2 ALA 15 1HB ALA 15 -16.918 0.513 7.521 111 HB3 ALA 15 2HB ALA 15 -16.973 -0.869 6.412 112 H SER 16 H SER 16 -13.088 0.956 5.752 113 HA SER 16 HA SER 16 -13.016 3.387 7.514 114 HB2 SER 16 2HB SER 16 -11.007 1.124 7.552 115 HB3 SER 16 3HB SER 16 -11.206 2.453 8.708 116 HG SER 16 HG SER 16 -12.715 0.117 8.348 117 H PHE 17 H PHE 17 -11.875 2.117 4.510 118 HA PHE 17 HA PHE 17 -9.308 3.076 4.248 119 HB2 PHE 17 2HB PHE 17 -10.642 1.651 2.662 120 HB3 PHE 17 3HB PHE 17 -11.475 3.088 2.103 121 HD1 PHE 17 HD2 PHE 17 -10.059 4.947 0.948 122 HD2 PHE 17 HD1 PHE 17 -8.590 0.967 1.737 123 HE1 PHE 17 HE2 PHE 17 -8.300 5.248 -0.776 124 HE2 PHE 17 HE1 PHE 17 -6.887 1.251 -0.040 125 HZ PHE 17 HZ PHE 17 -6.721 3.397 -1.283 126 H ALA 18 H ALA 18 -12.310 5.002 3.680 127 HA ALA 18 HA ALA 18 -10.866 7.304 2.803 128 HB1 ALA 18 3HB ALA 18 -13.019 8.469 3.045 129 HB2 ALA 18 1HB ALA 18 -13.216 6.904 2.237 130 HB3 ALA 18 2HB ALA 18 -13.678 7.086 3.949 131 H THR 19 H THR 19 -11.832 6.259 6.062 132 HA THR 19 HA THR 19 -11.052 8.775 7.337 133 HB THR 19 HB THR 19 -11.524 6.074 8.665 134 HG1 THR 19 HG1 THR 19 -13.684 6.711 8.812 135 HG21 THR 19 3HG2 THR 19 -12.400 7.489 10.530 136 HG22 THR 19 1HG2 THR 19 -11.922 8.946 9.628 137 HG23 THR 19 2HG2 THR 19 -10.693 7.799 10.208 138 H ASP 20 H ASP 20 -9.430 5.704 6.637 139 HA ASP 20 HA ASP 20 -7.122 6.436 8.349 140 HB2 ASP 20 2HB ASP 20 -7.727 4.022 6.607 141 HB3 ASP 20 3HB ASP 20 -6.232 4.232 7.516 142 H VAL 21 H VAL 21 -7.793 6.105 4.862 143 HA VAL 21 HA VAL 21 -5.002 6.870 4.207 144 HB VAL 21 HB VAL 21 -7.188 5.953 2.309 145 HG11 VAL 21 1HG1 VAL 21 -5.226 7.100 1.281 146 HG12 VAL 21 2HG1 VAL 21 -4.165 5.889 2.043 147 HG13 VAL 21 3HG1 VAL 21 -5.369 5.400 0.835 148 HG21 VAL 21 3HG2 VAL 21 -6.828 4.152 3.960 149 HG22 VAL 21 1HG2 VAL 21 -6.157 3.718 2.398 150 HG23 VAL 21 2HG2 VAL 21 -5.070 4.255 3.703 151 H LEU 22 H LEU 22 -8.319 7.813 3.160 152 HA LEU 22 HA LEU 22 -7.250 10.092 1.718 153 HB2 LEU 22 2HB LEU 22 -10.157 9.427 2.216 154 HB3 LEU 22 3HB LEU 22 -9.503 10.490 0.978 155 HG LEU 22 HG LEU 22 -9.064 7.484 1.139 156 HD11 LEU 22 1HD1 LEU 22 -11.365 8.119 0.518 157 HD12 LEU 22 2HD1 LEU 22 -10.503 7.375 -0.837 158 HD13 LEU 22 3HD1 LEU 22 -10.731 9.137 -0.792 159 HD21 LEU 22 3HD2 LEU 22 -7.133 8.560 0.037 160 HD22 LEU 22 1HD2 LEU 22 -8.242 9.430 -1.048 161 HD23 LEU 22 2HD2 LEU 22 -8.111 7.665 -1.125 162 H SER 23 H SER 23 -8.475 9.752 4.940 163 HA SER 23 HA SER 23 -8.900 12.626 5.327 164 HB2 SER 23 2HB SER 23 -8.884 10.364 7.298 165 HB3 SER 23 3HB SER 23 -9.269 12.050 7.677 166 HG SER 23 HG SER 23 -10.610 10.413 5.765 167 H SER 24 H SER 24 -6.093 10.698 5.180 168 HA SER 24 HA SER 24 -4.600 11.996 7.328 169 HB2 SER 24 2HB SER 24 -4.222 9.637 6.650 170 HB3 SER 24 3HB SER 24 -3.519 10.227 5.125 171 HG SER 24 HG SER 24 -1.967 9.886 6.843 172 H ASN 25 H ASN 25 -3.424 13.790 7.226 173 HA ASN 25 HA ASN 25 -2.951 15.227 4.710 174 HB2 ASN 25 2HB ASN 25 -3.576 16.433 6.738 175 HB3 ASN 25 3HB ASN 25 -2.164 15.796 7.592 176 HD21 ASN 25 1HD2 ASN 25 -2.907 17.595 4.512 177 HD22 ASN 25 2HD2 ASN 25 -1.561 18.713 4.741 178 H LYS 26 H LYS 26 -1.275 12.870 6.587 179 HA LYS 26 HA LYS 26 1.444 13.485 5.669 180 HB2 LYS 26 2HB LYS 26 0.902 12.540 7.917 181 HB3 LYS 26 3HB LYS 26 0.254 11.097 7.135 182 HG2 LYS 26 2HG LYS 26 2.551 10.652 6.185 183 HG3 LYS 26 3HG LYS 26 3.156 12.035 7.124 184 HD2 LYS 26 2HD LYS 26 2.412 10.907 9.214 185 HD3 LYS 26 3HD LYS 26 1.730 9.583 8.246 186 HE2 LYS 26 2HE LYS 26 4.077 9.243 7.283 187 HE3 LYS 26 3HE LYS 26 4.665 10.350 8.532 188 HZ1 LYS 26 3HZ LYS 26 4.814 8.052 9.273 189 HZ2 LYS 26 1HZ LYS 26 3.210 7.795 9.001 190 HZ3 LYS 26 2HZ LYS 26 3.698 8.814 10.194 191 HA PRO 27 HA PRO 27 1.164 10.946 1.944 192 HB2 PRO 27 2HB PRO 27 3.983 10.145 2.593 193 HB3 PRO 27 3HB PRO 27 3.304 10.701 1.033 194 HG2 PRO 27 2HG PRO 27 4.784 12.376 2.573 195 HG3 PRO 27 3HG PRO 27 3.283 12.972 1.797 196 HD2 PRO 27 2HD PRO 27 3.669 12.053 4.649 197 HD3 PRO 27 3HD PRO 27 2.823 13.505 4.029 198 H VAL 28 H VAL 28 0.404 8.896 1.635 199 HA VAL 28 HA VAL 28 0.998 6.779 3.632 200 HB VAL 28 HB VAL 28 -0.916 7.887 4.522 201 HG11 VAL 28 1HG1 VAL 28 -1.856 8.956 2.512 202 HG12 VAL 28 2HG1 VAL 28 -2.363 7.363 1.904 203 HG13 VAL 28 3HG1 VAL 28 -3.070 8.026 3.390 204 HG21 VAL 28 3HG2 VAL 28 -0.804 5.419 4.703 205 HG22 VAL 28 1HG2 VAL 28 -2.464 6.028 4.698 206 HG23 VAL 28 2HG2 VAL 28 -1.801 5.271 3.238 207 H LEU 29 H LEU 29 1.235 4.851 2.860 208 HA LEU 29 HA LEU 29 0.911 4.409 -0.083 209 HB2 LEU 29 2HB LEU 29 3.214 4.667 1.058 210 HB3 LEU 29 3HB LEU 29 2.876 3.153 1.868 211 HG LEU 29 HG LEU 29 3.328 3.665 -1.096 212 HD11 LEU 29 1HD1 LEU 29 5.150 2.045 -0.725 213 HD12 LEU 29 2HD1 LEU 29 4.673 1.868 0.971 214 HD13 LEU 29 3HD1 LEU 29 5.291 3.426 0.380 215 HD21 LEU 29 3HD2 LEU 29 3.112 1.187 -1.424 216 HD22 LEU 29 1HD2 LEU 29 1.577 1.991 -1.134 217 HD23 LEU 29 2HD2 LEU 29 2.364 1.069 0.179 218 H VAL 30 H VAL 30 -0.741 3.004 -0.511 219 HA VAL 30 HA VAL 30 -1.417 0.912 1.517 220 HB VAL 30 HB VAL 30 -3.287 1.762 -0.688 221 HG11 VAL 30 1HG1 VAL 30 -3.738 -0.386 0.417 222 HG12 VAL 30 2HG1 VAL 30 -3.638 0.388 2.016 223 HG13 VAL 30 3HG1 VAL 30 -4.947 0.802 0.902 224 HG21 VAL 30 3HG2 VAL 30 -2.898 3.820 0.590 225 HG22 VAL 30 1HG2 VAL 30 -4.499 3.153 0.893 226 HG23 VAL 30 2HG2 VAL 30 -3.222 2.954 2.109 227 H ASP 31 H ASP 31 -0.894 -1.112 1.034 228 HA ASP 31 HA ASP 31 -0.514 -1.915 -1.820 229 HB2 ASP 31 2HB ASP 31 1.445 -2.212 -0.538 230 HB3 ASP 31 3HB ASP 31 0.594 -3.037 0.758 231 H PHE 32 H PHE 32 -2.089 -2.877 -2.751 232 HA PHE 32 HA PHE 32 -4.241 -4.297 -1.328 233 HB2 PHE 32 2HB PHE 32 -3.813 -3.558 -4.240 234 HB3 PHE 32 3HB PHE 32 -5.158 -4.515 -3.651 235 HD1 PHE 32 HD2 PHE 32 -3.495 -1.163 -3.016 236 HD2 PHE 32 HD1 PHE 32 -7.164 -3.433 -3.122 237 HE1 PHE 32 HE2 PHE 32 -4.797 0.891 -2.574 238 HE2 PHE 32 HE1 PHE 32 -8.450 -1.344 -2.775 239 HZ PHE 32 HZ PHE 32 -7.252 0.841 -2.538 240 H TRP 33 H TRP 33 -3.860 -6.326 -0.779 241 HA TRP 33 HA TRP 33 -2.130 -8.100 -2.440 242 HB2 TRP 33 2HB TRP 33 -0.579 -8.397 -0.748 243 HB3 TRP 33 3HB TRP 33 -0.917 -6.686 -0.593 244 HD1 TRP 33 HD1 TRP 33 -3.063 -6.262 1.309 245 HE1 TRP 33 HE1 TRP 33 -3.452 -7.373 3.591 246 HE3 TRP 33 HE3 TRP 33 0.102 -10.269 0.814 247 HZ2 TRP 33 HZ2 TRP 33 -2.459 -9.649 5.039 248 HZ3 TRP 33 HZ3 TRP 33 0.375 -11.878 2.674 249 HH2 TRP 33 HH2 TRP 33 -0.910 -11.597 4.785 250 H ALA 34 H ALA 34 -1.999 -10.345 -1.471 251 HA ALA 34 HA ALA 34 -3.932 -11.033 0.577 252 HB1 ALA 34 3HB ALA 34 -4.127 -12.347 -2.169 253 HB2 ALA 34 1HB ALA 34 -4.927 -12.930 -0.692 254 HB3 ALA 34 2HB ALA 34 -5.376 -11.366 -1.365 255 H THR 35 H THR 35 -3.497 -13.014 1.594 256 HA THR 35 HA THR 35 -0.756 -13.777 1.719 257 HB THR 35 HB THR 35 -2.460 -13.872 3.553 258 HG1 THR 35 HG1 THR 35 -1.563 -15.789 4.432 259 HG21 THR 35 3HG2 THR 35 -3.204 -16.584 2.373 260 HG22 THR 35 1HG2 THR 35 -4.250 -15.145 2.336 261 HG23 THR 35 2HG2 THR 35 -3.790 -15.865 3.885 262 H TRP 36 H TRP 36 -3.277 -14.941 -0.370 263 HA TRP 36 HA TRP 36 -1.960 -17.449 -1.049 264 HB2 TRP 36 2HB TRP 36 -3.789 -17.595 -2.748 265 HB3 TRP 36 3HB TRP 36 -4.258 -17.531 -1.073 266 HD1 TRP 36 HD1 TRP 36 -6.169 -16.028 -0.485 267 HE1 TRP 36 HE1 TRP 36 -7.625 -14.347 -1.669 268 HE3 TRP 36 HE3 TRP 36 -3.247 -15.243 -4.649 269 HZ2 TRP 36 HZ2 TRP 36 -7.506 -12.723 -4.060 270 HZ3 TRP 36 HZ3 TRP 36 -3.907 -13.490 -6.291 271 HH2 TRP 36 HH2 TRP 36 -6.053 -12.283 -6.045 272 H CYS 37 H CYS 37 -1.009 -14.379 -1.872 273 HA CYS 37 HA CYS 37 -0.206 -15.139 -4.651 274 HB2 CYS 37 2HB CYS 37 -1.698 -13.230 -4.430 275 HB3 CYS 37 3HB CYS 37 -0.575 -12.449 -3.316 276 HG CYS 37 HG CYS 37 -0.168 -13.313 -6.506 277 H GLY 38 H GLY 38 1.807 -15.831 -4.900 278 HA2 GLY 38 2HA GLY 38 3.958 -15.646 -3.080 279 HA3 GLY 38 3HA GLY 38 4.098 -15.992 -4.805 280 HA PRO 39 HA PRO 39 5.626 -11.815 -5.609 281 HB2 PRO 39 2HB PRO 39 2.965 -10.965 -6.731 282 HB3 PRO 39 3HB PRO 39 4.595 -10.615 -7.376 283 HG2 PRO 39 2HG PRO 39 3.153 -12.604 -8.474 284 HG3 PRO 39 3HG PRO 39 4.878 -12.901 -8.075 285 HD2 PRO 39 2HD PRO 39 2.419 -13.733 -6.531 286 HD3 PRO 39 3HD PRO 39 3.908 -14.655 -6.864 287 H CYS 40 H CYS 40 2.378 -11.779 -4.030 288 HA CYS 40 HA CYS 40 2.784 -9.209 -2.720 289 HB2 CYS 40 2HB CYS 40 0.968 -11.544 -1.985 290 HB3 CYS 40 3HB CYS 40 1.030 -9.993 -1.155 291 HG CYS 40 HG CYS 40 0.388 -10.510 -4.364 292 H LYS 41 H LYS 41 3.377 -12.623 -1.718 293 HA LYS 41 HA LYS 41 4.594 -12.005 0.823 294 HB2 LYS 41 2HB LYS 41 5.086 -14.350 -1.067 295 HB3 LYS 41 3HB LYS 41 5.660 -14.267 0.586 296 HG2 LYS 41 2HG LYS 41 2.707 -14.174 -0.165 297 HG3 LYS 41 3HG LYS 41 3.596 -15.651 0.206 298 HD2 LYS 41 2HD LYS 41 4.110 -14.804 2.474 299 HD3 LYS 41 3HD LYS 41 3.211 -13.306 2.122 300 HE2 LYS 41 2HE LYS 41 1.173 -14.612 1.682 301 HE3 LYS 41 3HE LYS 41 2.034 -16.120 1.968 302 HZ1 LYS 41 3HZ LYS 41 1.692 -14.017 4.040 303 HZ2 LYS 41 1HZ LYS 41 2.317 -15.513 4.268 304 HZ3 LYS 41 2HZ LYS 41 0.731 -15.330 3.888 305 H MET 42 H MET 42 5.947 -11.966 -2.433 306 HA MET 42 HA MET 42 8.687 -11.642 -1.625 307 HB2 MET 42 2HB MET 42 7.949 -12.499 -3.831 308 HB3 MET 42 3HB MET 42 7.321 -10.900 -4.239 309 HG2 MET 42 2HG MET 42 9.462 -11.228 -5.286 310 HG3 MET 42 3HG MET 42 9.583 -9.947 -4.085 311 HE1 MET 42 3HE MET 42 12.112 -11.217 -5.422 312 HE2 MET 42 1HE MET 42 12.189 -9.978 -4.147 313 HE3 MET 42 2HE MET 42 13.174 -11.452 -4.016 314 H VAL 43 H VAL 43 6.194 -9.172 -2.555 315 HA VAL 43 HA VAL 43 8.119 -7.019 -1.978 316 HB VAL 43 HB VAL 43 6.430 -6.982 -3.824 317 HG11 VAL 43 1HG1 VAL 43 4.477 -6.163 -1.634 318 HG12 VAL 43 2HG1 VAL 43 4.199 -6.122 -3.380 319 HG13 VAL 43 3HG1 VAL 43 4.423 -7.675 -2.563 320 HG21 VAL 43 3HG2 VAL 43 6.412 -4.557 -2.000 321 HG22 VAL 43 1HG2 VAL 43 7.723 -4.997 -3.114 322 HG23 VAL 43 2HG2 VAL 43 6.119 -4.591 -3.748 323 H ALA 44 H ALA 44 5.686 -8.646 -0.059 324 HA ALA 44 HA ALA 44 5.113 -6.765 1.892 325 HB1 ALA 44 3HB ALA 44 4.060 -8.951 1.798 326 HB2 ALA 44 1HB ALA 44 5.587 -9.757 2.206 327 HB3 ALA 44 2HB ALA 44 4.782 -8.716 3.398 328 HA PRO 45 HA PRO 45 9.020 -7.550 4.531 329 HB2 PRO 45 2HB PRO 45 11.334 -8.468 3.346 330 HB3 PRO 45 3HB PRO 45 10.125 -9.519 4.142 331 HG2 PRO 45 2HG PRO 45 10.366 -8.874 1.185 332 HG3 PRO 45 3HG PRO 45 10.197 -10.486 1.956 333 HD2 PRO 45 2HD PRO 45 8.052 -9.235 0.951 334 HD3 PRO 45 3HD PRO 45 7.927 -10.077 2.519 335 H VAL 46 H VAL 46 9.359 -6.541 1.120 336 HA VAL 46 HA VAL 46 11.328 -4.471 1.649 337 HB VAL 46 HB VAL 46 9.392 -4.666 -0.692 338 HG11 VAL 46 1HG1 VAL 46 11.037 -3.243 -1.822 339 HG12 VAL 46 2HG1 VAL 46 10.385 -2.420 -0.401 340 HG13 VAL 46 3HG1 VAL 46 11.980 -3.164 -0.298 341 HG21 VAL 46 3HG2 VAL 46 10.804 -6.676 -0.610 342 HG22 VAL 46 1HG2 VAL 46 11.356 -5.613 -1.901 343 HG23 VAL 46 2HG2 VAL 46 12.256 -5.677 -0.371 344 H LEU 47 H LEU 47 7.766 -4.437 1.230 345 HA LEU 47 HA LEU 47 7.345 -1.687 1.922 346 HB2 LEU 47 2HB LEU 47 5.682 -4.215 1.937 347 HB3 LEU 47 3HB LEU 47 5.020 -2.737 2.625 348 HG LEU 47 HG LEU 47 6.055 -2.878 -0.227 349 HD11 LEU 47 1HD1 LEU 47 3.233 -3.186 0.847 350 HD12 LEU 47 2HD1 LEU 47 4.212 -4.462 0.090 351 HD13 LEU 47 3HD1 LEU 47 3.696 -3.073 -0.870 352 HD21 LEU 47 3HD2 LEU 47 4.606 -0.852 -0.469 353 HD22 LEU 47 1HD2 LEU 47 5.909 -0.579 0.689 354 HD23 LEU 47 2HD2 LEU 47 4.259 -0.901 1.265 355 H GLU 48 H GLU 48 7.615 -4.592 4.025 356 HA GLU 48 HA GLU 48 6.877 -3.217 6.438 357 HB2 GLU 48 2HB GLU 48 6.814 -5.690 6.036 358 HB3 GLU 48 3HB GLU 48 8.583 -5.718 6.131 359 HG2 GLU 48 2HG GLU 48 8.447 -4.836 8.451 360 HG3 GLU 48 3HG GLU 48 6.684 -4.758 8.312 361 H GLU 49 H GLU 49 10.120 -3.843 4.959 362 HA GLU 49 HA GLU 49 11.618 -2.434 6.984 363 HB2 GLU 49 2HB GLU 49 12.132 -3.025 4.045 364 HB3 GLU 49 3HB GLU 49 13.217 -2.028 5.018 365 HG2 GLU 49 2HG GLU 49 13.486 -3.870 6.650 366 HG3 GLU 49 3HG GLU 49 12.442 -4.898 5.669 367 H ILE 50 H ILE 50 10.029 -1.263 3.967 368 HA ILE 50 HA ILE 50 10.771 1.490 4.297 369 HB ILE 50 HB ILE 50 8.495 0.056 2.892 370 HG12 ILE 50 2HG1 ILE 50 10.768 1.659 1.660 371 HG13 ILE 50 3HG1 ILE 50 10.999 -0.019 2.133 372 HG21 ILE 50 1HG2 ILE 50 9.026 3.045 2.677 373 HG22 ILE 50 2HG2 ILE 50 7.853 2.108 1.732 374 HG23 ILE 50 3HG2 ILE 50 7.608 2.310 3.450 375 HD11 ILE 50 3HD1 ILE 50 8.891 0.909 0.156 376 HD12 ILE 50 1HD1 ILE 50 10.439 0.142 -0.243 377 HD13 ILE 50 2HD1 ILE 50 9.186 -0.750 0.650 378 H ALA 51 H ALA 51 7.871 -0.289 5.499 379 HA ALA 51 HA ALA 51 6.605 1.874 6.806 380 HB1 ALA 51 3HB ALA 51 5.415 0.155 8.008 381 HB2 ALA 51 1HB ALA 51 5.725 -0.493 6.383 382 HB3 ALA 51 2HB ALA 51 6.707 -1.030 7.746 383 H THR 52 H THR 52 9.180 -0.274 7.932 384 HA THR 52 HA THR 52 9.258 0.809 10.641 385 HB THR 52 HB THR 52 11.418 -0.793 9.195 386 HG1 THR 52 HG1 THR 52 9.576 -1.970 9.093 387 HG21 THR 52 3HG2 THR 52 12.187 0.120 11.348 388 HG22 THR 52 1HG2 THR 52 11.912 -1.622 11.489 389 HG23 THR 52 2HG2 THR 52 10.717 -0.483 12.148 390 H GLU 53 H GLU 53 11.336 1.277 7.765 391 HA GLU 53 HA GLU 53 13.098 3.097 9.252 392 HB2 GLU 53 2HB GLU 53 13.224 1.944 6.438 393 HB3 GLU 53 3HB GLU 53 14.474 2.916 7.197 394 HG2 GLU 53 2HG GLU 53 14.414 1.157 9.125 395 HG3 GLU 53 3HG GLU 53 13.549 0.130 7.997 396 H ARG 54 H ARG 54 10.540 3.521 6.910 397 HA ARG 54 HA ARG 54 11.313 6.397 6.499 398 HB2 ARG 54 2HB ARG 54 9.308 4.867 4.848 399 HB3 ARG 54 3HB ARG 54 10.090 6.387 4.464 400 HG2 ARG 54 2HG ARG 54 11.506 3.682 4.553 401 HG3 ARG 54 3HG ARG 54 10.833 4.417 3.116 402 HD2 ARG 54 2HD ARG 54 13.245 4.669 3.204 403 HD3 ARG 54 3HD ARG 54 12.415 6.225 3.169 404 HE ARG 54 HE ARG 54 13.010 5.392 5.878 405 HH11 ARG 54 1HH1 ARG 54 14.655 6.848 3.125 406 HH12 ARG 54 2HH1 ARG 54 15.682 7.783 4.208 407 HH21 ARG 54 1HH2 ARG 54 14.362 6.546 7.086 408 HH22 ARG 54 2HH2 ARG 54 15.507 7.653 6.321 409 H ALA 55 H ALA 55 9.826 5.006 8.792 410 HA ALA 55 HA ALA 55 7.122 5.536 8.849 411 HB1 ALA 55 3HB ALA 55 8.395 4.209 10.506 412 HB2 ALA 55 1HB ALA 55 9.127 5.695 11.146 413 HB3 ALA 55 2HB ALA 55 7.379 5.423 11.303 414 H THR 56 H THR 56 9.669 7.967 9.318 415 HA THR 56 HA THR 56 7.893 10.035 10.366 416 HB THR 56 HB THR 56 9.930 11.495 9.890 417 HG1 THR 56 HG1 THR 56 11.823 10.382 9.431 418 HG21 THR 56 3HG2 THR 56 11.233 10.570 11.752 419 HG22 THR 56 1HG2 THR 56 10.375 9.018 11.621 420 HG23 THR 56 2HG2 THR 56 9.501 10.485 12.115 421 H ASP 57 H ASP 57 8.652 8.901 7.180 422 HA ASP 57 HA ASP 57 7.594 11.395 5.893 423 HB2 ASP 57 2HB ASP 57 9.425 9.174 4.909 424 HB3 ASP 57 3HB ASP 57 8.704 10.375 3.853 425 H LEU 58 H LEU 58 7.088 7.920 6.188 426 HA LEU 58 HA LEU 58 4.603 8.068 4.530 427 HB2 LEU 58 2HB LEU 58 6.695 5.859 4.732 428 HB3 LEU 58 3HB LEU 58 5.130 5.659 3.952 429 HG LEU 58 HG LEU 58 7.237 7.638 3.013 430 HD11 LEU 58 1HD1 LEU 58 7.626 5.994 1.196 431 HD12 LEU 58 2HD1 LEU 58 6.529 4.849 2.001 432 HD13 LEU 58 3HD1 LEU 58 8.048 5.336 2.782 433 HD21 LEU 58 3HD2 LEU 58 4.711 6.555 1.682 434 HD22 LEU 58 1HD2 LEU 58 5.897 7.653 0.937 435 HD23 LEU 58 2HD2 LEU 58 4.930 8.200 2.309 436 H THR 59 H THR 59 2.856 6.944 5.261 437 HA THR 59 HA THR 59 3.224 5.040 7.560 438 HB THR 59 HB THR 59 0.670 6.449 6.705 439 HG1 THR 59 HG1 THR 59 0.813 7.186 8.866 440 HG21 THR 59 3HG2 THR 59 0.129 4.146 7.401 441 HG22 THR 59 1HG2 THR 59 -0.337 5.279 8.671 442 HG23 THR 59 2HG2 THR 59 1.151 4.321 8.847 443 H VAL 60 H VAL 60 2.891 2.907 7.058 444 HA VAL 60 HA VAL 60 2.199 2.313 4.211 445 HB VAL 60 HB VAL 60 3.936 0.789 6.172 446 HG11 VAL 60 1HG1 VAL 60 2.645 -0.869 4.875 447 HG12 VAL 60 2HG1 VAL 60 3.002 0.004 3.365 448 HG13 VAL 60 3HG1 VAL 60 4.302 -0.798 4.273 449 HG21 VAL 60 3HG2 VAL 60 5.634 1.159 4.397 450 HG22 VAL 60 1HG2 VAL 60 4.463 2.114 3.472 451 HG23 VAL 60 2HG2 VAL 60 5.033 2.689 5.053 452 H ALA 61 H ALA 61 0.449 1.203 3.741 453 HA ALA 61 HA ALA 61 -1.171 -0.039 5.900 454 HB1 ALA 61 3HB ALA 61 -2.059 1.772 3.632 455 HB2 ALA 61 1HB ALA 61 -3.144 0.967 4.786 456 HB3 ALA 61 2HB ALA 61 -1.998 2.202 5.349 457 H LYS 62 H LYS 62 -2.561 -1.695 5.307 458 HA LYS 62 HA LYS 62 -2.064 -3.090 2.692 459 HB2 LYS 62 2HB LYS 62 -2.430 -4.126 5.531 460 HB3 LYS 62 3HB LYS 62 -2.580 -5.167 4.127 461 HG2 LYS 62 2HG LYS 62 -0.053 -3.531 4.634 462 HG3 LYS 62 3HG LYS 62 -0.321 -5.121 5.354 463 HD2 LYS 62 2HD LYS 62 -0.593 -6.137 3.159 464 HD3 LYS 62 3HD LYS 62 -0.361 -4.576 2.351 465 HE2 LYS 62 2HE LYS 62 1.931 -4.456 3.174 466 HE3 LYS 62 3HE LYS 62 1.686 -5.888 4.190 467 HZ1 LYS 62 3HZ LYS 62 1.567 -5.871 1.213 468 HZ2 LYS 62 1HZ LYS 62 1.333 -7.188 2.157 469 HZ3 LYS 62 2HZ LYS 62 2.803 -6.468 2.106 470 H LEU 63 H LEU 63 -3.776 -3.434 1.460 471 HA LEU 63 HA LEU 63 -6.477 -3.650 2.735 472 HB2 LEU 63 2HB LEU 63 -6.307 -1.741 1.140 473 HB3 LEU 63 3HB LEU 63 -5.842 -2.846 -0.133 474 HG LEU 63 HG LEU 63 -8.180 -2.114 -0.282 475 HD11 LEU 63 1HD1 LEU 63 -7.444 -4.471 -1.024 476 HD12 LEU 63 2HD1 LEU 63 -9.176 -4.163 -0.854 477 HD13 LEU 63 3HD1 LEU 63 -8.327 -5.058 0.399 478 HD21 LEU 63 3HD2 LEU 63 -8.688 -1.844 2.105 479 HD22 LEU 63 1HD2 LEU 63 -8.665 -3.608 2.324 480 HD23 LEU 63 2HD2 LEU 63 -9.889 -2.856 1.301 481 H ASP 64 H ASP 64 -6.918 -5.633 3.062 482 HA ASP 64 HA ASP 64 -5.605 -7.847 1.681 483 HB2 ASP 64 2HB ASP 64 -7.765 -7.633 3.809 484 HB3 ASP 64 3HB ASP 64 -7.148 -9.159 3.191 485 H VAL 65 H VAL 65 -6.324 -8.088 -0.481 486 HA VAL 65 HA VAL 65 -9.019 -7.465 -1.259 487 HB VAL 65 HB VAL 65 -8.572 -8.279 -3.409 488 HG11 VAL 65 1HG1 VAL 65 -7.386 -6.187 -2.656 489 HG12 VAL 65 2HG1 VAL 65 -5.924 -7.154 -2.426 490 HG13 VAL 65 3HG1 VAL 65 -6.645 -7.005 -4.041 491 HG21 VAL 65 3HG2 VAL 65 -7.478 -10.471 -2.881 492 HG22 VAL 65 1HG2 VAL 65 -6.675 -9.531 -4.139 493 HG23 VAL 65 2HG2 VAL 65 -5.987 -9.575 -2.508 494 H ASP 66 H ASP 66 -7.778 -10.257 0.239 495 HA ASP 66 HA ASP 66 -9.866 -12.096 -0.600 496 HB2 ASP 66 2HB ASP 66 -7.459 -12.621 0.140 497 HB3 ASP 66 3HB ASP 66 -8.018 -12.362 1.793 498 H THR 67 H THR 67 -9.678 -9.621 1.887 499 HA THR 67 HA THR 67 -12.279 -10.607 3.023 500 HB THR 67 HB THR 67 -11.834 -9.450 5.081 501 HG1 THR 67 HG1 THR 67 -10.435 -7.821 4.400 502 HG21 THR 67 3HG2 THR 67 -10.108 -10.870 6.006 503 HG22 THR 67 1HG2 THR 67 -9.452 -11.214 4.391 504 HG23 THR 67 2HG2 THR 67 -11.067 -11.807 4.846 505 H ASN 68 H ASN 68 -10.667 -7.900 1.493 506 HA ASN 68 HA ASN 68 -13.291 -6.474 1.383 507 HB2 ASN 68 2HB ASN 68 -10.514 -5.301 1.797 508 HB3 ASN 68 3HB ASN 68 -11.975 -4.354 1.497 509 HD21 ASN 68 1HD2 ASN 68 -13.841 -4.776 3.097 510 HD22 ASN 68 2HD2 ASN 68 -13.364 -5.078 4.754 511 HA PRO 69 HA PRO 69 -11.654 -7.261 -2.956 512 HB2 PRO 69 2HB PRO 69 -13.870 -8.513 -3.974 513 HB3 PRO 69 3HB PRO 69 -12.560 -9.384 -3.125 514 HG2 PRO 69 2HG PRO 69 -15.190 -8.398 -1.967 515 HG3 PRO 69 3HG PRO 69 -14.462 -10.032 -1.825 516 HD2 PRO 69 2HD PRO 69 -14.168 -8.192 0.137 517 HD3 PRO 69 3HD PRO 69 -12.812 -9.269 -0.314 518 H GLU 70 H GLU 70 -14.525 -5.878 -1.452 519 HA GLU 70 HA GLU 70 -15.582 -4.423 -3.670 520 HB2 GLU 70 2HB GLU 70 -15.562 -3.671 -0.716 521 HB3 GLU 70 3HB GLU 70 -16.644 -3.025 -1.952 522 HG2 GLU 70 2HG GLU 70 -16.569 -5.880 -0.884 523 HG3 GLU 70 3HG GLU 70 -17.806 -4.668 -0.582 524 H THR 71 H THR 71 -12.985 -3.567 -1.334 525 HA THR 71 HA THR 71 -12.564 -0.914 -2.405 526 HB THR 71 HB THR 71 -10.480 -2.428 -0.889 527 HG1 THR 71 HG1 THR 71 -12.949 -1.424 0.008 528 HG21 THR 71 3HG2 THR 71 -10.124 -0.242 0.170 529 HG22 THR 71 1HG2 THR 71 -11.462 0.459 -0.764 530 HG23 THR 71 2HG2 THR 71 -9.988 -0.088 -1.589 531 H ALA 72 H ALA 72 -11.068 -4.090 -3.012 532 HA ALA 72 HA ALA 72 -9.046 -3.229 -4.865 533 HB1 ALA 72 3HB ALA 72 -10.574 -5.862 -4.823 534 HB2 ALA 72 1HB ALA 72 -8.960 -5.548 -5.493 535 HB3 ALA 72 2HB ALA 72 -9.224 -5.472 -3.742 536 H ARG 73 H ARG 73 -12.464 -4.204 -5.387 537 HA ARG 73 HA ARG 73 -12.327 -3.714 -8.222 538 HB2 ARG 73 2HB ARG 73 -13.887 -5.299 -7.024 539 HB3 ARG 73 3HB ARG 73 -14.806 -3.894 -6.460 540 HG2 ARG 73 2HG ARG 73 -15.274 -3.274 -8.838 541 HG3 ARG 73 3HG ARG 73 -14.280 -4.633 -9.380 542 HD2 ARG 73 2HD ARG 73 -16.569 -5.284 -9.565 543 HD3 ARG 73 3HD ARG 73 -15.866 -6.209 -8.247 544 HE ARG 73 HE ARG 73 -17.817 -3.952 -8.062 545 HH11 ARG 73 1HH1 ARG 73 -16.136 -6.477 -6.282 546 HH12 ARG 73 2HH1 ARG 73 -17.150 -6.251 -4.867 547 HH21 ARG 73 1HH2 ARG 73 -19.020 -3.725 -6.214 548 HH22 ARG 73 2HH2 ARG 73 -18.651 -4.696 -4.806 549 H ASN 74 H ASN 74 -13.350 -1.641 -5.513 550 HA ASN 74 HA ASN 74 -14.582 0.441 -6.897 551 HB2 ASN 74 2HB ASN 74 -14.490 0.236 -4.444 552 HB3 ASN 74 3HB ASN 74 -12.759 0.582 -4.450 553 HD21 ASN 74 1HD2 ASN 74 -12.085 2.784 -4.535 554 HD22 ASN 74 2HD2 ASN 74 -13.252 4.086 -4.621 555 H PHE 75 H PHE 75 -11.059 0.048 -6.375 556 HA PHE 75 HA PHE 75 -10.508 2.286 -8.267 557 HB2 PHE 75 2HB PHE 75 -8.587 0.758 -6.501 558 HB3 PHE 75 3HB PHE 75 -8.243 2.212 -7.420 559 HD1 PHE 75 HD1 PHE 75 -9.647 4.353 -6.829 560 HD2 PHE 75 HD2 PHE 75 -9.245 0.929 -4.240 561 HE1 PHE 75 HE1 PHE 75 -10.249 5.759 -4.870 562 HE2 PHE 75 HE2 PHE 75 -9.851 2.338 -2.284 563 HZ PHE 75 HZ PHE 75 -10.352 4.752 -2.596 564 H GLN 76 H GLN 76 -11.282 -0.764 -8.766 565 HA GLN 76 HA GLN 76 -10.671 -2.588 -9.847 566 HB2 GLN 76 2HB GLN 76 -10.572 -2.486 -12.153 567 HB3 GLN 76 3HB GLN 76 -11.635 -1.198 -11.578 568 HG2 GLN 76 2HG GLN 76 -9.848 0.447 -11.917 569 HG3 GLN 76 3HG GLN 76 -8.736 -0.832 -12.386 570 HE21 GLN 76 1HE2 GLN 76 -8.738 0.993 -14.250 571 HE22 GLN 76 2HE2 GLN 76 -9.808 0.604 -15.591 572 H VAL 77 H VAL 77 -8.565 -1.741 -8.159 573 HA VAL 77 HA VAL 77 -6.052 -2.655 -9.407 574 HB VAL 77 HB VAL 77 -5.056 -2.244 -7.197 575 HG11 VAL 77 1HG1 VAL 77 -6.688 0.144 -8.125 576 HG12 VAL 77 2HG1 VAL 77 -5.126 0.154 -7.290 577 HG13 VAL 77 3HG1 VAL 77 -5.246 -0.459 -8.955 578 HG21 VAL 77 3HG2 VAL 77 -7.845 -1.316 -6.375 579 HG22 VAL 77 1HG2 VAL 77 -6.919 -2.656 -5.692 580 HG23 VAL 77 2HG2 VAL 77 -6.345 -0.996 -5.486 581 H VAL 78 H VAL 78 -8.013 -4.503 -9.661 582 HA VAL 78 HA VAL 78 -8.108 -6.398 -7.482 583 HB VAL 78 HB VAL 78 -9.410 -7.794 -9.029 584 HG11 VAL 78 1HG1 VAL 78 -10.505 -6.058 -7.671 585 HG12 VAL 78 2HG1 VAL 78 -10.301 -4.883 -8.989 586 HG13 VAL 78 3HG1 VAL 78 -11.339 -6.305 -9.211 587 HG21 VAL 78 3HG2 VAL 78 -9.030 -5.571 -11.091 588 HG22 VAL 78 1HG2 VAL 78 -8.341 -7.208 -11.194 589 HG23 VAL 78 2HG2 VAL 78 -10.092 -6.982 -11.230 590 H SER 79 H SER 79 -5.966 -6.053 -10.191 591 HA SER 79 HA SER 79 -4.714 -8.712 -9.872 592 HB2 SER 79 2HB SER 79 -3.813 -6.250 -11.418 593 HB3 SER 79 3HB SER 79 -3.029 -7.841 -11.442 594 HG SER 79 HG SER 79 -4.478 -7.548 -13.213 595 H ILE 80 H ILE 80 -2.854 -9.103 -8.674 596 HA ILE 80 HA ILE 80 -1.887 -6.882 -6.960 597 HB ILE 80 HB ILE 80 -2.100 -8.357 -4.988 598 HG12 ILE 80 2HG1 ILE 80 -3.675 -10.288 -6.706 599 HG13 ILE 80 3HG1 ILE 80 -2.025 -10.539 -6.119 600 HG21 ILE 80 1HG2 ILE 80 -3.862 -6.672 -5.665 601 HG22 ILE 80 2HG2 ILE 80 -4.798 -8.024 -6.333 602 HG23 ILE 80 3HG2 ILE 80 -4.417 -7.965 -4.602 603 HD11 ILE 80 3HD1 ILE 80 -4.556 -10.350 -4.483 604 HD12 ILE 80 1HD1 ILE 80 -3.348 -11.644 -4.530 605 HD13 ILE 80 2HD1 ILE 80 -2.949 -10.119 -3.753 606 HA PRO 81 HA PRO 81 -0.525 -6.931 -4.841 607 HB2 PRO 81 2HB PRO 81 1.906 -5.764 -4.476 608 HB3 PRO 81 3HB PRO 81 1.496 -7.365 -3.808 609 HG2 PRO 81 2HG PRO 81 2.983 -6.733 -6.373 610 HG3 PRO 81 3HG PRO 81 3.446 -7.896 -5.093 611 HD2 PRO 81 2HD PRO 81 2.171 -8.721 -7.343 612 HD3 PRO 81 3HD PRO 81 1.768 -9.429 -5.749 613 H THR 82 H THR 82 -1.196 -4.836 -4.999 614 HA THR 82 HA THR 82 0.019 -3.088 -7.089 615 HB THR 82 HB THR 82 -2.960 -3.344 -6.596 616 HG1 THR 82 HG1 THR 82 -2.551 -4.525 -8.313 617 HG21 THR 82 3HG2 THR 82 -3.087 -1.447 -8.271 618 HG22 THR 82 1HG2 THR 82 -1.356 -1.154 -7.998 619 HG23 THR 82 2HG2 THR 82 -2.526 -0.950 -6.671 620 H LEU 83 H LEU 83 0.913 -1.446 -6.233 621 HA LEU 83 HA LEU 83 0.279 -0.586 -3.451 622 HB2 LEU 83 2HB LEU 83 2.744 -0.198 -5.189 623 HB3 LEU 83 3HB LEU 83 2.509 0.478 -3.593 624 HG LEU 83 HG LEU 83 2.455 -1.837 -2.637 625 HD11 LEU 83 1HD1 LEU 83 1.911 -3.292 -4.512 626 HD12 LEU 83 2HD1 LEU 83 3.552 -3.652 -4.018 627 HD13 LEU 83 3HD1 LEU 83 3.275 -2.660 -5.467 628 HD21 LEU 83 3HD2 LEU 83 4.883 -2.141 -2.824 629 HD22 LEU 83 1HD2 LEU 83 4.496 -0.416 -2.731 630 HD23 LEU 83 2HD2 LEU 83 4.914 -1.144 -4.295 631 H ILE 84 H ILE 84 -0.761 1.328 -3.244 632 HA ILE 84 HA ILE 84 -0.441 3.380 -5.388 633 HB ILE 84 HB ILE 84 -2.744 2.437 -5.388 634 HG12 ILE 84 2HG1 ILE 84 -2.621 5.356 -4.503 635 HG13 ILE 84 3HG1 ILE 84 -2.145 4.779 -6.104 636 HG21 ILE 84 1HG2 ILE 84 -2.970 3.661 -2.618 637 HG22 ILE 84 2HG2 ILE 84 -4.278 2.912 -3.557 638 HG23 ILE 84 3HG2 ILE 84 -2.916 1.934 -2.994 639 HD11 ILE 84 3HD1 ILE 84 -4.936 4.592 -4.918 640 HD12 ILE 84 1HD1 ILE 84 -4.383 5.680 -6.198 641 HD13 ILE 84 2HD1 ILE 84 -4.439 3.929 -6.493 642 H LEU 85 H LEU 85 0.124 5.377 -4.776 643 HA LEU 85 HA LEU 85 0.575 5.872 -1.861 644 HB2 LEU 85 2HB LEU 85 2.632 5.626 -3.315 645 HB3 LEU 85 3HB LEU 85 2.064 7.007 -4.253 646 HG LEU 85 HG LEU 85 2.127 8.356 -2.072 647 HD11 LEU 85 1HD1 LEU 85 3.571 7.572 -0.290 648 HD12 LEU 85 2HD1 LEU 85 3.812 6.017 -1.117 649 HD13 LEU 85 3HD1 LEU 85 2.214 6.464 -0.478 650 HD21 LEU 85 3HD2 LEU 85 3.848 8.596 -3.793 651 HD22 LEU 85 1HD2 LEU 85 4.705 7.170 -3.174 652 HD23 LEU 85 2HD2 LEU 85 4.597 8.638 -2.184 653 H PHE 86 H PHE 86 -0.503 7.480 -0.968 654 HA PHE 86 HA PHE 86 -1.706 9.626 -2.670 655 HB2 PHE 86 2HB PHE 86 -2.648 8.640 0.037 656 HB3 PHE 86 3HB PHE 86 -3.353 9.947 -0.883 657 HD1 PHE 86 HD2 PHE 86 -2.953 6.266 -0.671 658 HD2 PHE 86 HD1 PHE 86 -4.938 9.527 -2.668 659 HE1 PHE 86 HE2 PHE 86 -4.647 4.695 -1.580 660 HE2 PHE 86 HE1 PHE 86 -6.575 7.942 -3.642 661 HZ PHE 86 HZ PHE 86 -6.443 5.517 -3.083 662 H LYS 87 H LYS 87 -1.527 11.741 -1.931 663 HA LYS 87 HA LYS 87 -0.030 12.270 0.567 664 HB2 LYS 87 2HB LYS 87 1.577 12.455 -1.225 665 HB3 LYS 87 3HB LYS 87 0.558 13.645 -2.066 666 HG2 LYS 87 2HG LYS 87 1.010 15.325 -0.470 667 HG3 LYS 87 3HG LYS 87 1.507 14.161 0.760 668 HD2 LYS 87 2HD LYS 87 3.458 15.381 -0.142 669 HD3 LYS 87 3HD LYS 87 3.561 13.648 -0.407 670 HE2 LYS 87 2HE LYS 87 4.380 14.675 -2.371 671 HE3 LYS 87 3HE LYS 87 2.829 13.953 -2.775 672 HZ1 LYS 87 3HZ LYS 87 1.824 16.189 -2.578 673 HZ2 LYS 87 1HZ LYS 87 3.034 16.211 -3.671 674 HZ3 LYS 87 2HZ LYS 87 3.272 16.841 -2.188 675 H ASP 88 H ASP 88 -1.089 13.715 1.832 676 HA ASP 88 HA ASP 88 -2.959 14.677 2.649 677 HB2 ASP 88 2HB ASP 88 -1.748 16.578 1.608 678 HB3 ASP 88 3HB ASP 88 -2.776 16.429 0.184 679 H GLY 89 H GLY 89 -3.630 12.314 1.551 680 HA2 GLY 89 2HA GLY 89 -5.362 11.011 0.922 681 HA3 GLY 89 3HA GLY 89 -6.432 12.387 1.155 682 H GLN 90 H GLN 90 -4.051 13.006 -1.251 683 HA GLN 90 HA GLN 90 -5.983 12.396 -3.449 684 HB2 GLN 90 2HB GLN 90 -3.913 14.585 -3.100 685 HB3 GLN 90 3HB GLN 90 -4.742 14.270 -4.625 686 HG2 GLN 90 2HG GLN 90 -6.804 15.026 -3.853 687 HG3 GLN 90 3HG GLN 90 -6.460 14.656 -2.169 688 HE21 GLN 90 1HE2 GLN 90 -5.235 16.132 -0.867 689 HE22 GLN 90 2HE2 GLN 90 -4.982 17.783 -1.409 690 HA PRO 91 HA PRO 91 -3.059 9.403 -4.687 691 HB2 PRO 91 2HB PRO 91 -3.646 8.960 -7.329 692 HB3 PRO 91 3HB PRO 91 -4.712 8.477 -5.973 693 HG2 PRO 91 2HG PRO 91 -4.885 10.989 -7.673 694 HG3 PRO 91 3HG PRO 91 -6.202 9.847 -7.249 695 HD2 PRO 91 2HD PRO 91 -5.825 12.154 -5.864 696 HD3 PRO 91 3HD PRO 91 -6.302 10.645 -5.023 697 H VAL 92 H VAL 92 -1.027 9.228 -5.319 698 HA VAL 92 HA VAL 92 0.272 11.444 -6.875 699 HB VAL 92 HB VAL 92 1.324 9.795 -4.540 700 HG11 VAL 92 1HG1 VAL 92 3.190 10.248 -6.064 701 HG12 VAL 92 2HG1 VAL 92 2.705 11.954 -6.194 702 HG13 VAL 92 3HG1 VAL 92 3.308 11.300 -4.657 703 HG21 VAL 92 3HG2 VAL 92 0.705 12.769 -4.828 704 HG22 VAL 92 1HG2 VAL 92 -0.220 11.598 -3.867 705 HG23 VAL 92 2HG2 VAL 92 1.451 11.973 -3.424 706 H LYS 93 H LYS 93 0.444 7.916 -6.193 707 HA LYS 93 HA LYS 93 1.470 7.393 -8.912 708 HB2 LYS 93 2HB LYS 93 3.432 8.060 -7.486 709 HB3 LYS 93 3HB LYS 93 3.118 6.682 -6.433 710 HG2 LYS 93 2HG LYS 93 3.586 5.112 -8.232 711 HG3 LYS 93 3HG LYS 93 3.669 6.416 -9.426 712 HD2 LYS 93 2HD LYS 93 5.584 6.068 -7.074 713 HD3 LYS 93 3HD LYS 93 5.896 5.544 -8.737 714 HE2 LYS 93 2HE LYS 93 5.636 7.899 -9.526 715 HE3 LYS 93 3HE LYS 93 5.386 8.425 -7.855 716 HZ1 LYS 93 3HZ LYS 93 7.659 8.752 -8.461 717 HZ2 LYS 93 1HZ LYS 93 7.842 7.155 -8.917 718 HZ3 LYS 93 2HZ LYS 93 7.607 7.550 -7.341 719 H ARG 94 H ARG 94 1.290 5.240 -9.551 720 HA ARG 94 HA ARG 94 0.432 3.219 -7.564 721 HB2 ARG 94 2HB ARG 94 -1.576 4.037 -8.852 722 HB3 ARG 94 3HB ARG 94 -0.828 3.390 -10.321 723 HG2 ARG 94 2HG ARG 94 -0.819 1.107 -9.263 724 HG3 ARG 94 3HG ARG 94 -1.545 1.802 -7.807 725 HD2 ARG 94 2HD ARG 94 -3.301 0.771 -9.070 726 HD3 ARG 94 3HD ARG 94 -3.520 2.510 -9.159 727 HE ARG 94 HE ARG 94 -3.105 2.469 -11.445 728 HH11 ARG 94 1HH1 ARG 94 -2.252 -0.721 -10.231 729 HH12 ARG 94 2HH1 ARG 94 -2.148 -1.383 -11.836 730 HH21 ARG 94 1HH2 ARG 94 -2.909 1.550 -13.443 731 HH22 ARG 94 2HH2 ARG 94 -2.483 -0.127 -13.598 732 H ILE 95 H ILE 95 1.331 1.282 -7.744 733 HA ILE 95 HA ILE 95 3.165 0.602 -10.002 734 HB ILE 95 HB ILE 95 3.782 0.181 -7.054 735 HG12 ILE 95 2HG1 ILE 95 4.973 2.335 -8.851 736 HG13 ILE 95 3HG1 ILE 95 3.836 2.618 -7.531 737 HG21 ILE 95 1HG2 ILE 95 5.537 -0.100 -9.526 738 HG22 ILE 95 2HG2 ILE 95 6.035 -0.408 -7.846 739 HG23 ILE 95 3HG2 ILE 95 4.835 -1.446 -8.587 740 HD11 ILE 95 3HD1 ILE 95 5.491 1.624 -5.925 741 HD12 ILE 95 1HD1 ILE 95 6.689 1.657 -7.245 742 HD13 ILE 95 2HD1 ILE 95 5.953 3.161 -6.673 743 H VAL 96 H VAL 96 3.142 -1.653 -10.517 744 HA VAL 96 HA VAL 96 1.547 -3.461 -8.788 745 HB VAL 96 HB VAL 96 -0.086 -2.802 -10.322 746 HG11 VAL 96 1HG1 VAL 96 1.844 -3.483 -12.589 747 HG12 VAL 96 2HG1 VAL 96 0.132 -3.058 -12.790 748 HG13 VAL 96 3HG1 VAL 96 1.261 -1.860 -12.154 749 HG21 VAL 96 3HG2 VAL 96 -0.770 -4.823 -11.407 750 HG22 VAL 96 1HG2 VAL 96 0.866 -5.499 -11.333 751 HG23 VAL 96 2HG2 VAL 96 -0.067 -5.215 -9.840 752 H GLY 97 H GLY 97 2.030 -5.588 -8.817 753 HA2 GLY 97 2HA GLY 97 3.294 -7.516 -9.149 754 HA3 GLY 97 3HA GLY 97 4.267 -6.708 -10.377 755 H ALA 98 H ALA 98 5.437 -8.356 -8.458 756 HA ALA 98 HA ALA 98 6.262 -7.075 -6.077 757 HB1 ALA 98 3HB ALA 98 6.372 -9.490 -6.382 758 HB2 ALA 98 1HB ALA 98 7.605 -9.309 -7.654 759 HB3 ALA 98 2HB ALA 98 7.974 -8.866 -5.973 760 H LYS 99 H LYS 99 8.250 -6.254 -5.402 761 HA LYS 99 HA LYS 99 10.161 -5.155 -7.397 762 HB2 LYS 99 2HB LYS 99 8.826 -3.563 -5.160 763 HB3 LYS 99 3HB LYS 99 10.143 -2.967 -6.170 764 HG2 LYS 99 2HG LYS 99 7.356 -3.696 -7.150 765 HG3 LYS 99 3HG LYS 99 7.891 -2.070 -6.758 766 HD2 LYS 99 2HD LYS 99 9.434 -1.963 -8.543 767 HD3 LYS 99 3HD LYS 99 9.409 -3.693 -8.827 768 HE2 LYS 99 2HE LYS 99 7.089 -1.793 -9.340 769 HE3 LYS 99 3HE LYS 99 8.196 -2.431 -10.553 770 HZ1 LYS 99 3HZ LYS 99 7.414 -4.683 -9.976 771 HZ2 LYS 99 1HZ LYS 99 6.157 -3.753 -10.500 772 HZ3 LYS 99 2HZ LYS 99 6.336 -4.081 -8.916 773 H GLY 100 H GLY 100 12.230 -4.694 -6.528 774 HA2 GLY 100 2HA GLY 100 12.914 -5.868 -3.878 775 HA3 GLY 100 3HA GLY 100 14.053 -5.331 -5.116 776 H LYS 101 H LYS 101 14.118 -4.465 -2.413 777 HA LYS 101 HA LYS 101 12.895 -1.995 -1.855 778 HB2 LYS 101 2HB LYS 101 14.417 -3.538 -0.397 779 HB3 LYS 101 3HB LYS 101 15.759 -2.594 -1.034 780 HG2 LYS 101 2HG LYS 101 14.682 -0.492 -0.186 781 HG3 LYS 101 3HG LYS 101 13.322 -1.447 0.434 782 HD2 LYS 101 2HD LYS 101 14.953 -2.724 1.860 783 HD3 LYS 101 3HD LYS 101 16.234 -1.630 1.296 784 HE2 LYS 101 2HE LYS 101 14.902 0.317 2.213 785 HE3 LYS 101 3HE LYS 101 13.699 -0.838 2.803 786 HZ1 LYS 101 3HZ LYS 101 15.356 -0.335 4.571 787 HZ2 LYS 101 1HZ LYS 101 16.571 -0.812 3.602 788 HZ3 LYS 101 2HZ LYS 101 15.481 -1.911 4.120 789 H ALA 102 H ALA 102 15.706 -2.481 -3.877 790 HA ALA 102 HA ALA 102 16.432 0.317 -3.898 791 HB1 ALA 102 3HB ALA 102 17.791 -0.276 -5.891 792 HB2 ALA 102 1HB ALA 102 18.003 -1.466 -4.593 793 HB3 ALA 102 2HB ALA 102 16.975 -1.851 -5.994 794 H ALA 103 H ALA 103 14.372 -1.597 -6.169 795 HA ALA 103 HA ALA 103 13.704 0.740 -7.750 796 HB1 ALA 103 3HB ALA 103 12.092 -0.800 -8.828 797 HB2 ALA 103 1HB ALA 103 13.689 -1.555 -8.674 798 HB3 ALA 103 2HB ALA 103 12.378 -2.012 -7.561 799 H LEU 104 H LEU 104 11.894 -1.063 -5.107 800 HA LEU 104 HA LEU 104 9.631 0.657 -5.378 801 HB2 LEU 104 2HB LEU 104 9.519 -1.550 -4.326 802 HB3 LEU 104 3HB LEU 104 10.523 -1.003 -2.986 803 HG LEU 104 HG LEU 104 8.790 0.499 -2.212 804 HD11 LEU 104 1HD1 LEU 104 6.559 0.631 -3.287 805 HD12 LEU 104 2HD1 LEU 104 7.182 -0.303 -4.671 806 HD13 LEU 104 3HD1 LEU 104 7.810 1.319 -4.302 807 HD21 LEU 104 3HD2 LEU 104 7.007 -1.080 -1.671 808 HD22 LEU 104 1HD2 LEU 104 8.568 -1.900 -1.589 809 HD23 LEU 104 2HD2 LEU 104 7.515 -2.156 -2.992 810 H LEU 105 H LEU 105 12.520 0.843 -3.164 811 HA LEU 105 HA LEU 105 11.544 3.289 -2.026 812 HB2 LEU 105 2HB LEU 105 13.190 1.783 -0.858 813 HB3 LEU 105 3HB LEU 105 14.423 2.384 -1.955 814 HG LEU 105 HG LEU 105 14.243 4.647 -1.116 815 HD11 LEU 105 1HD1 LEU 105 11.861 4.938 -0.639 816 HD12 LEU 105 2HD1 LEU 105 12.781 5.241 0.818 817 HD13 LEU 105 3HD1 LEU 105 11.928 3.687 0.628 818 HD21 LEU 105 3HD2 LEU 105 15.574 2.997 0.175 819 HD22 LEU 105 1HD2 LEU 105 14.178 2.741 1.245 820 HD23 LEU 105 2HD2 LEU 105 14.965 4.338 1.161 821 H ARG 106 H ARG 106 13.474 2.747 -5.052 822 HA ARG 106 HA ARG 106 14.059 5.584 -5.297 823 HB2 ARG 106 2HB ARG 106 13.794 3.309 -7.288 824 HB3 ARG 106 3HB ARG 106 14.018 4.963 -7.850 825 HG2 ARG 106 2HG ARG 106 15.888 3.755 -5.783 826 HG3 ARG 106 3HG ARG 106 16.141 3.501 -7.517 827 HD2 ARG 106 2HD ARG 106 16.483 5.795 -7.935 828 HD3 ARG 106 3HD ARG 106 15.763 6.280 -6.392 829 HE ARG 106 HE ARG 106 18.201 4.638 -6.191 830 HH11 ARG 106 2HH2 ARG 106 17.009 7.943 -6.220 831 HH12 ARG 106 1HH2 ARG 106 18.376 8.527 -5.287 832 HH21 ARG 106 2HH1 ARG 106 19.889 5.485 -4.973 833 HH22 ARG 106 1HH1 ARG 106 19.864 7.186 -4.541 834 H GLU 107 H GLU 107 11.313 3.661 -6.514 835 HA GLU 107 HA GLU 107 9.885 5.907 -7.564 836 HB2 GLU 107 2HB GLU 107 8.943 3.172 -6.669 837 HB3 GLU 107 3HB GLU 107 7.875 4.371 -7.395 838 HG2 GLU 107 2HG GLU 107 10.350 3.173 -8.699 839 HG3 GLU 107 3HG GLU 107 8.673 2.775 -9.055 840 H LEU 108 H LEU 108 9.993 4.659 -4.253 841 HA LEU 108 HA LEU 108 8.060 6.690 -3.322 842 HB2 LEU 108 2HB LEU 108 9.866 4.760 -1.844 843 HB3 LEU 108 3HB LEU 108 8.675 5.801 -1.073 844 HG LEU 108 HG LEU 108 7.972 3.680 -3.143 845 HD11 LEU 108 1HD1 LEU 108 9.003 2.757 -1.084 846 HD12 LEU 108 2HD1 LEU 108 7.310 2.291 -1.260 847 HD13 LEU 108 3HD1 LEU 108 7.763 3.576 -0.111 848 HD21 LEU 108 3HD2 LEU 108 5.687 3.928 -2.258 849 HD22 LEU 108 1HD2 LEU 108 6.268 5.424 -2.984 850 HD23 LEU 108 2HD2 LEU 108 6.233 5.262 -1.211 851 H SER 109 H SER 109 11.597 6.430 -3.528 852 HA SER 109 HA SER 109 12.327 8.506 -1.774 853 HB2 SER 109 2HB SER 109 13.708 7.601 -4.306 854 HB3 SER 109 3HB SER 109 14.327 8.894 -3.271 855 HG SER 109 HG SER 109 13.775 6.238 -2.524 856 H ASP 110 H ASP 110 11.144 8.517 -5.110 857 HA ASP 110 HA ASP 110 11.267 11.212 -5.886 858 HB2 ASP 110 2HB ASP 110 10.323 9.176 -7.072 859 HB3 ASP 110 3HB ASP 110 8.875 9.350 -6.081 860 H VAL 111 H VAL 111 9.265 9.870 -3.282 861 HA VAL 111 HA VAL 111 8.190 12.554 -2.540 862 HB VAL 111 HB VAL 111 7.194 9.719 -2.099 863 HG11 VAL 111 1HG1 VAL 111 6.770 10.836 0.023 864 HG12 VAL 111 2HG1 VAL 111 6.115 12.265 -0.816 865 HG13 VAL 111 3HG1 VAL 111 5.259 10.706 -0.873 866 HG21 VAL 111 3HG2 VAL 111 5.155 10.660 -3.214 867 HG22 VAL 111 1HG2 VAL 111 6.002 12.201 -3.423 868 HG23 VAL 111 2HG2 VAL 111 6.583 10.738 -4.248 869 H VAL 112 H VAL 112 10.261 9.940 -1.522 870 HA VAL 112 HA VAL 112 10.749 11.170 1.160 871 HB VAL 112 HB VAL 112 11.375 8.311 0.315 872 HG11 VAL 112 1HG1 VAL 112 11.398 8.076 2.866 873 HG12 VAL 112 2HG1 VAL 112 12.737 9.014 2.199 874 HG13 VAL 112 3HG1 VAL 112 11.360 9.837 2.962 875 HG21 VAL 112 3HG2 VAL 112 8.941 8.556 0.295 876 HG22 VAL 112 1HG2 VAL 112 9.433 7.697 1.750 877 HG23 VAL 112 2HG2 VAL 112 8.980 9.415 1.841 878 HA PRO 113 HA PRO 113 14.503 12.117 -1.377 879 HB2 PRO 113 2HB PRO 113 14.882 14.725 -0.660 880 HB3 PRO 113 3HB PRO 113 13.659 14.218 -1.863 881 HG2 PRO 113 2HG PRO 113 13.228 14.712 1.109 882 HG3 PRO 113 3HG PRO 113 12.325 15.431 -0.268 883 HD2 PRO 113 2HD PRO 113 11.385 13.246 1.009 884 HD3 PRO 113 3HD PRO 113 11.277 13.378 -0.775 885 H ASN 114 H ASN 114 13.944 11.527 1.838 886 HA ASN 114 HA ASN 114 16.415 12.286 3.089 887 HB2 ASN 114 2HB ASN 114 14.383 11.597 4.316 888 HB3 ASN 114 3HB ASN 114 14.512 9.967 3.653 889 HD21 ASN 114 2HD2 ASN 114 16.198 12.349 5.757 890 HD22 ASN 114 1HD2 ASN 114 17.060 11.115 6.663 891 H LEU 115 H LEU 115 15.665 9.638 0.850 892 HA LEU 115 HA LEU 115 18.508 8.746 0.973 893 HB2 LEU 115 2HB LEU 115 16.858 6.937 0.947 894 HB3 LEU 115 3HB LEU 115 16.120 7.605 -0.508 895 HG LEU 115 HG LEU 115 18.218 7.172 -1.783 896 HD11 LEU 115 1HD1 LEU 115 19.156 5.834 0.797 897 HD12 LEU 115 2HD1 LEU 115 19.900 7.252 0.026 898 HD13 LEU 115 3HD1 LEU 115 19.950 5.690 -0.786 899 HD21 LEU 115 3HD2 LEU 115 17.175 4.733 -0.302 900 HD22 LEU 115 1HD2 LEU 115 18.026 4.736 -1.863 901 HD23 LEU 115 2HD2 LEU 115 16.429 5.483 -1.732 902 H ASN 116 H ASN 116 19.926 9.403 -0.519 903 HA ASN 116 HA ASN 116 19.170 11.351 -2.594 904 HB2 ASN 116 2HB ASN 116 21.877 10.241 -1.717 905 HB3 ASN 116 3HB ASN 116 21.644 11.500 -2.922 906 HD21 ASN 116 1HD2 ASN 116 20.477 13.524 -2.161 907 HD22 ASN 116 2HD2 ASN 116 20.803 14.030 -0.510 Start of MODEL 3 1 H1 MET 1 1H MET 1 -1.572 -2.885 23.277 2 H2 MET 1 2H MET 1 -1.103 -3.178 21.732 3 HA MET 1 HA MET 1 0.715 -2.630 23.988 4 HB2 MET 1 2HB MET 1 0.185 -5.241 22.501 5 HB3 MET 1 3HB MET 1 1.525 -4.974 23.619 6 HG2 MET 1 2HG MET 1 -0.108 -4.427 25.422 7 HG3 MET 1 3HG MET 1 -1.427 -4.875 24.339 8 HE1 MET 1 3HE MET 1 -2.007 -7.304 23.580 9 HE2 MET 1 1HE MET 1 -0.406 -7.509 22.827 10 HE3 MET 1 2HE MET 1 -1.023 -8.735 23.951 11 H THR 2 H THR 2 2.996 -2.813 23.492 12 HA THR 2 HA THR 2 3.773 -2.762 20.653 13 HB THR 2 HB THR 2 3.262 -0.400 21.309 14 HG1 THR 2 HG1 THR 2 5.135 0.334 20.307 15 HG21 THR 2 3HG2 THR 2 4.200 -0.428 23.630 16 HG22 THR 2 1HG2 THR 2 4.866 0.862 22.618 17 HG23 THR 2 2HG2 THR 2 5.831 -0.592 22.942 18 H ASP 3 H ASP 3 6.162 -2.710 20.382 19 HA ASP 3 HA ASP 3 7.778 -3.921 22.511 20 HB2 ASP 3 2HB ASP 3 6.510 -5.860 21.623 21 HB3 ASP 3 3HB ASP 3 7.046 -5.475 19.989 22 H SER 4 H SER 4 10.034 -3.896 22.017 23 HA SER 4 HA SER 4 10.979 -1.748 20.490 24 HB2 SER 4 2HB SER 4 12.517 -4.224 21.360 25 HB3 SER 4 3HB SER 4 13.204 -2.639 20.958 26 HG SER 4 HG SER 4 12.948 -2.920 23.227 27 H GLU 5 H GLU 5 10.335 -5.013 19.334 28 HA GLU 5 HA GLU 5 11.699 -4.405 16.737 29 HB2 GLU 5 2HB GLU 5 10.911 -7.081 17.931 30 HB3 GLU 5 3HB GLU 5 11.673 -6.830 16.363 31 HG2 GLU 5 2HG GLU 5 13.588 -5.772 17.498 32 HG3 GLU 5 3HG GLU 5 12.872 -6.205 19.048 33 H LYS 6 H LYS 6 8.749 -3.813 17.866 34 HA LYS 6 HA LYS 6 6.988 -5.126 15.992 35 HB2 LYS 6 2HB LYS 6 6.280 -4.151 18.162 36 HB3 LYS 6 3HB LYS 6 6.614 -2.529 17.540 37 HG2 LYS 6 2HG LYS 6 4.873 -2.828 15.807 38 HG3 LYS 6 3HG LYS 6 4.566 -4.480 16.387 39 HD2 LYS 6 2HD LYS 6 3.872 -3.578 18.580 40 HD3 LYS 6 3HD LYS 6 4.231 -1.925 18.024 41 HE2 LYS 6 2HE LYS 6 2.546 -2.273 16.167 42 HE3 LYS 6 3HE LYS 6 2.123 -3.825 16.903 43 HZ1 LYS 6 3HZ LYS 6 1.491 -2.571 18.943 44 HZ2 LYS 6 1HZ LYS 6 0.614 -2.091 17.650 45 HZ3 LYS 6 2HZ LYS 6 1.837 -1.160 18.194 46 H SER 7 H SER 7 6.383 -4.642 13.972 47 HA SER 7 HA SER 7 7.737 -2.490 12.494 48 HB2 SER 7 2HB SER 7 6.708 -3.588 10.519 49 HB3 SER 7 3HB SER 7 7.777 -4.634 11.469 50 HG SER 7 HG SER 7 5.870 -5.730 10.931 51 H ALA 8 H ALA 8 6.623 -1.069 11.051 52 HA ALA 8 HA ALA 8 4.311 0.103 12.459 53 HB1 ALA 8 3HB ALA 8 6.211 1.334 10.456 54 HB2 ALA 8 1HB ALA 8 5.070 2.193 11.507 55 HB3 ALA 8 2HB ALA 8 6.443 1.328 12.220 56 H THR 9 H THR 9 3.756 -2.079 10.450 57 HA THR 9 HA THR 9 2.236 -0.646 8.346 58 HB THR 9 HB THR 9 1.664 -2.933 7.543 59 HG1 THR 9 HG1 THR 9 2.857 -4.648 8.417 60 HG21 THR 9 3HG2 THR 9 4.648 -2.424 7.860 61 HG22 THR 9 1HG2 THR 9 3.597 -1.716 6.609 62 HG23 THR 9 2HG2 THR 9 3.875 -3.463 6.642 63 H ILE 10 H ILE 10 0.023 -0.968 7.960 64 HA ILE 10 HA ILE 10 -1.696 -2.024 10.149 65 HB ILE 10 HB ILE 10 -3.192 -0.081 9.953 66 HG12 ILE 10 2HG1 ILE 10 -0.988 1.251 8.313 67 HG13 ILE 10 3HG1 ILE 10 -2.537 0.684 7.686 68 HG21 ILE 10 1HG2 ILE 10 -1.448 -0.250 11.745 69 HG22 ILE 10 2HG2 ILE 10 -0.402 0.808 10.773 70 HG23 ILE 10 3HG2 ILE 10 -1.956 1.402 11.391 71 HD11 ILE 10 3HD1 ILE 10 -2.137 2.948 9.668 72 HD12 ILE 10 1HD1 ILE 10 -2.654 3.058 7.980 73 HD13 ILE 10 2HD1 ILE 10 -3.721 2.292 9.175 74 H LYS 11 H LYS 11 -3.853 -2.601 9.490 75 HA LYS 11 HA LYS 11 -4.170 -3.040 6.558 76 HB2 LYS 11 2HB LYS 11 -4.483 -4.976 8.152 77 HB3 LYS 11 3HB LYS 11 -5.934 -4.161 8.754 78 HG2 LYS 11 2HG LYS 11 -6.872 -4.198 6.418 79 HG3 LYS 11 3HG LYS 11 -5.404 -5.026 5.869 80 HD2 LYS 11 2HD LYS 11 -5.936 -6.905 7.453 81 HD3 LYS 11 3HD LYS 11 -7.454 -6.078 7.864 82 HE2 LYS 11 2HE LYS 11 -8.091 -6.143 5.422 83 HE3 LYS 11 3HE LYS 11 -6.607 -7.053 5.096 84 HZ1 LYS 11 3HZ LYS 11 -8.460 -8.573 5.327 85 HZ2 LYS 11 1HZ LYS 11 -8.882 -7.955 6.770 86 HZ3 LYS 11 2HZ LYS 11 -7.480 -8.798 6.615 87 H VAL 12 H VAL 12 -5.732 -2.061 5.387 88 HA VAL 12 HA VAL 12 -7.754 -0.322 6.743 89 HB VAL 12 HB VAL 12 -7.641 1.277 4.877 90 HG11 VAL 12 1HG1 VAL 12 -5.636 2.466 5.629 91 HG12 VAL 12 2HG1 VAL 12 -6.507 1.757 6.999 92 HG13 VAL 12 3HG1 VAL 12 -5.023 0.991 6.404 93 HG21 VAL 12 3HG2 VAL 12 -6.567 -0.094 3.129 94 HG22 VAL 12 1HG2 VAL 12 -5.665 1.398 3.422 95 HG23 VAL 12 2HG2 VAL 12 -5.063 -0.141 4.069 96 H THR 13 H THR 13 -9.778 -0.169 5.699 97 HA THR 13 HA THR 13 -10.362 -2.023 3.452 98 HB THR 13 HB THR 13 -12.220 -3.038 4.641 99 HG1 THR 13 HG1 THR 13 -12.428 -2.696 6.889 100 HG21 THR 13 3HG2 THR 13 -9.986 -4.152 4.841 101 HG22 THR 13 1HG2 THR 13 -11.063 -4.474 6.214 102 HG23 THR 13 2HG2 THR 13 -9.736 -3.316 6.389 103 H ASP 14 H ASP 14 -12.405 -1.617 2.425 104 HA ASP 14 HA ASP 14 -12.946 0.970 1.802 105 HB2 ASP 14 2HB ASP 14 -13.668 -1.090 0.607 106 HB3 ASP 14 3HB ASP 14 -14.952 -1.326 1.781 107 H ALA 15 H ALA 15 -14.363 -0.642 4.610 108 HA ALA 15 HA ALA 15 -16.503 1.224 5.091 109 HB1 ALA 15 3HB ALA 15 -16.617 0.078 7.269 110 HB2 ALA 15 1HB ALA 15 -16.458 -1.091 5.945 111 HB3 ALA 15 2HB ALA 15 -15.049 -0.697 6.960 112 H SER 16 H SER 16 -13.076 1.456 5.717 113 HA SER 16 HA SER 16 -13.461 3.976 7.291 114 HB2 SER 16 2HB SER 16 -11.454 1.775 7.906 115 HB3 SER 16 3HB SER 16 -11.620 3.316 8.767 116 HG SER 16 HG SER 16 -13.725 2.671 9.401 117 H PHE 17 H PHE 17 -12.058 2.623 4.551 118 HA PHE 17 HA PHE 17 -9.480 3.527 4.366 119 HB2 PHE 17 2HB PHE 17 -10.917 2.140 2.741 120 HB3 PHE 17 3HB PHE 17 -11.482 3.653 2.073 121 HD1 PHE 17 HD2 PHE 17 -9.708 5.247 1.028 122 HD2 PHE 17 HD1 PHE 17 -8.898 1.146 2.090 123 HE1 PHE 17 HE2 PHE 17 -7.753 5.233 -0.500 124 HE2 PHE 17 HE1 PHE 17 -6.985 1.121 0.522 125 HZ PHE 17 HZ PHE 17 -6.392 3.178 -0.761 126 H ALA 18 H ALA 18 -12.412 5.495 3.678 127 HA ALA 18 HA ALA 18 -10.932 7.746 2.762 128 HB1 ALA 18 3HB ALA 18 -13.070 8.948 2.950 129 HB2 ALA 18 1HB ALA 18 -13.284 7.362 2.189 130 HB3 ALA 18 2HB ALA 18 -13.755 7.603 3.892 131 H THR 19 H THR 19 -11.890 6.788 6.040 132 HA THR 19 HA THR 19 -11.011 9.317 7.254 133 HB THR 19 HB THR 19 -11.586 6.659 8.627 134 HG1 THR 19 HG1 THR 19 -13.692 7.436 8.853 135 HG21 THR 19 3HG2 THR 19 -11.753 9.551 9.591 136 HG22 THR 19 1HG2 THR 19 -10.578 8.328 10.124 137 HG23 THR 19 2HG2 THR 19 -12.288 8.130 10.519 138 H ASP 20 H ASP 20 -9.582 6.127 6.627 139 HA ASP 20 HA ASP 20 -7.257 6.712 8.338 140 HB2 ASP 20 2HB ASP 20 -7.939 4.375 6.512 141 HB3 ASP 20 3HB ASP 20 -6.477 4.472 7.490 142 H VAL 21 H VAL 21 -7.846 6.471 4.845 143 HA VAL 21 HA VAL 21 -5.000 7.150 4.269 144 HB VAL 21 HB VAL 21 -7.148 6.065 2.415 145 HG11 VAL 21 1HG1 VAL 21 -5.327 7.211 1.220 146 HG12 VAL 21 2HG1 VAL 21 -4.130 6.222 2.083 147 HG13 VAL 21 3HG1 VAL 21 -5.281 5.468 0.966 148 HG21 VAL 21 3HG2 VAL 21 -4.924 4.558 3.859 149 HG22 VAL 21 1HG2 VAL 21 -6.669 4.386 4.160 150 HG23 VAL 21 2HG2 VAL 21 -6.005 3.891 2.613 151 H LEU 22 H LEU 22 -8.305 8.050 3.177 152 HA LEU 22 HA LEU 22 -7.219 10.221 1.585 153 HB2 LEU 22 2HB LEU 22 -10.140 9.665 2.075 154 HB3 LEU 22 3HB LEU 22 -9.420 10.569 0.756 155 HG LEU 22 HG LEU 22 -9.091 7.576 1.210 156 HD11 LEU 22 1HD1 LEU 22 -11.372 8.224 0.498 157 HD12 LEU 22 2HD1 LEU 22 -10.515 7.323 -0.763 158 HD13 LEU 22 3HD1 LEU 22 -10.686 9.088 -0.893 159 HD21 LEU 22 3HD2 LEU 22 -8.226 9.254 -1.168 160 HD22 LEU 22 1HD2 LEU 22 -8.104 7.496 -1.027 161 HD23 LEU 22 2HD2 LEU 22 -7.125 8.524 0.024 162 H SER 23 H SER 23 -8.246 10.110 4.856 163 HA SER 23 HA SER 23 -8.801 13.000 5.014 164 HB2 SER 23 2HB SER 23 -8.709 10.887 7.144 165 HB3 SER 23 3HB SER 23 -9.073 12.595 7.426 166 HG SER 23 HG SER 23 -10.485 10.867 5.652 167 H SER 24 H SER 24 -5.947 11.159 4.932 168 HA SER 24 HA SER 24 -4.469 12.504 7.034 169 HB2 SER 24 2HB SER 24 -4.058 10.164 6.311 170 HB3 SER 24 3HB SER 24 -3.377 10.801 4.793 171 HG SER 24 HG SER 24 -1.809 10.438 6.494 172 H ASN 25 H ASN 25 -2.993 14.093 6.940 173 HA ASN 25 HA ASN 25 -2.693 15.642 4.422 174 HB2 ASN 25 2HB ASN 25 -3.657 16.797 6.349 175 HB3 ASN 25 3HB ASN 25 -2.234 16.413 7.323 176 HD21 ASN 25 1HD2 ASN 25 -2.780 17.851 3.999 177 HD22 ASN 25 2HD2 ASN 25 -1.775 19.248 4.359 178 H LYS 26 H LYS 26 -0.991 13.289 6.031 179 HA LYS 26 HA LYS 26 1.598 14.147 4.801 180 HB2 LYS 26 2HB LYS 26 2.694 12.394 6.070 181 HB3 LYS 26 3HB LYS 26 1.882 13.523 7.147 182 HG2 LYS 26 2HG LYS 26 0.062 11.964 7.530 183 HG3 LYS 26 3HG LYS 26 0.686 10.835 6.319 184 HD2 LYS 26 2HD LYS 26 2.129 11.584 8.897 185 HD3 LYS 26 3HD LYS 26 1.103 10.163 8.664 186 HE2 LYS 26 2HE LYS 26 2.642 9.547 6.692 187 HE3 LYS 26 3HE LYS 26 3.761 10.773 7.308 188 HZ1 LYS 26 3HZ LYS 26 3.726 9.523 9.461 189 HZ2 LYS 26 1HZ LYS 26 4.298 8.593 8.246 190 HZ3 LYS 26 2HZ LYS 26 2.766 8.380 8.753 191 HA PRO 27 HA PRO 27 1.038 11.121 1.603 192 HB2 PRO 27 2HB PRO 27 3.786 10.104 2.331 193 HB3 PRO 27 3HB PRO 27 3.105 10.410 0.699 194 HG2 PRO 27 2HG PRO 27 4.756 12.230 1.830 195 HG3 PRO 27 3HG PRO 27 3.252 12.787 1.029 196 HD2 PRO 27 2HD PRO 27 3.761 12.399 3.984 197 HD3 PRO 27 3HD PRO 27 2.939 13.741 3.140 198 H VAL 28 H VAL 28 0.179 9.115 1.398 199 HA VAL 28 HA VAL 28 0.605 7.056 3.495 200 HB VAL 28 HB VAL 28 -2.160 7.756 2.447 201 HG11 VAL 28 1HG1 VAL 28 -2.895 6.163 4.228 202 HG12 VAL 28 2HG1 VAL 28 -1.895 5.363 3.014 203 HG13 VAL 28 3HG1 VAL 28 -1.202 5.797 4.591 204 HG21 VAL 28 3HG2 VAL 28 -0.911 8.317 5.169 205 HG22 VAL 28 1HG2 VAL 28 -1.516 9.503 3.996 206 HG23 VAL 28 2HG2 VAL 28 -2.650 8.419 4.805 207 H LEU 29 H LEU 29 0.900 5.087 2.679 208 HA LEU 29 HA LEU 29 0.601 4.687 -0.273 209 HB2 LEU 29 2HB LEU 29 2.886 5.240 0.524 210 HB3 LEU 29 3HB LEU 29 2.860 3.886 1.615 211 HG LEU 29 HG LEU 29 4.126 3.772 -0.646 212 HD11 LEU 29 1HD1 LEU 29 3.822 1.370 -0.817 213 HD12 LEU 29 2HD1 LEU 29 2.342 1.449 0.155 214 HD13 LEU 29 3HD1 LEU 29 3.915 1.875 0.873 215 HD21 LEU 29 3HD2 LEU 29 2.115 4.366 -2.067 216 HD22 LEU 29 1HD2 LEU 29 1.458 2.764 -1.700 217 HD23 LEU 29 2HD2 LEU 29 2.992 2.915 -2.563 218 H VAL 30 H VAL 30 -0.725 3.047 -0.763 219 HA VAL 30 HA VAL 30 -1.258 0.983 1.336 220 HB VAL 30 HB VAL 30 -3.276 1.904 -0.706 221 HG11 VAL 30 1HG1 VAL 30 -4.834 0.856 0.928 222 HG12 VAL 30 2HG1 VAL 30 -3.666 -0.312 0.317 223 HG13 VAL 30 3HG1 VAL 30 -3.460 0.384 1.939 224 HG21 VAL 30 3HG2 VAL 30 -2.930 2.938 2.134 225 HG22 VAL 30 1HG2 VAL 30 -2.816 3.882 0.634 226 HG23 VAL 30 2HG2 VAL 30 -4.361 3.180 1.110 227 H ASP 31 H ASP 31 -0.837 -1.043 0.839 228 HA ASP 31 HA ASP 31 -0.457 -1.850 -2.013 229 HB2 ASP 31 2HB ASP 31 1.509 -2.081 -0.730 230 HB3 ASP 31 3HB ASP 31 0.667 -2.881 0.594 231 H PHE 32 H PHE 32 -1.968 -2.934 -2.948 232 HA PHE 32 HA PHE 32 -4.021 -4.494 -1.478 233 HB2 PHE 32 2HB PHE 32 -3.818 -3.520 -4.345 234 HB3 PHE 32 3HB PHE 32 -5.103 -4.536 -3.723 235 HD1 PHE 32 HD1 PHE 32 -3.415 -1.226 -2.856 236 HD2 PHE 32 HD2 PHE 32 -7.088 -3.473 -3.108 237 HE1 PHE 32 HE1 PHE 32 -4.691 0.743 -2.094 238 HE2 PHE 32 HE2 PHE 32 -8.355 -1.448 -2.430 239 HZ PHE 32 HZ PHE 32 -7.138 0.696 -1.993 240 H TRP 33 H TRP 33 -3.579 -6.552 -1.114 241 HA TRP 33 HA TRP 33 -1.827 -8.140 -2.935 242 HB2 TRP 33 2HB TRP 33 -0.276 -8.549 -1.216 243 HB3 TRP 33 3HB TRP 33 -0.558 -6.831 -1.148 244 HD1 TRP 33 HD1 TRP 33 -2.440 -6.105 0.826 245 HE1 TRP 33 HE1 TRP 33 -2.808 -7.040 3.189 246 HE3 TRP 33 HE3 TRP 33 0.205 -10.484 0.413 247 HZ2 TRP 33 HZ2 TRP 33 -1.949 -9.299 4.741 248 HZ3 TRP 33 HZ3 TRP 33 0.470 -11.964 2.376 249 HH2 TRP 33 HH2 TRP 33 -0.616 -11.403 4.533 250 H ALA 34 H ALA 34 -1.594 -10.480 -2.098 251 HA ALA 34 HA ALA 34 -3.589 -11.296 -0.098 252 HB1 ALA 34 3HB ALA 34 -3.472 -12.575 -2.864 253 HB2 ALA 34 1HB ALA 34 -4.340 -13.237 -1.459 254 HB3 ALA 34 2HB ALA 34 -4.846 -11.700 -2.147 255 H THR 35 H THR 35 -3.007 -13.050 1.129 256 HA THR 35 HA THR 35 -0.340 -13.906 1.347 257 HB THR 35 HB THR 35 -2.753 -15.559 2.174 258 HG1 THR 35 HG1 THR 35 -2.820 -14.289 4.016 259 HG21 THR 35 3HG2 THR 35 -0.558 -16.598 2.678 260 HG22 THR 35 1HG2 THR 35 -1.362 -16.080 4.162 261 HG23 THR 35 2HG2 THR 35 -0.035 -15.104 3.494 262 H TRP 36 H TRP 36 -2.885 -15.190 -0.742 263 HA TRP 36 HA TRP 36 -1.488 -17.657 -1.366 264 HB2 TRP 36 2HB TRP 36 -3.299 -17.927 -3.048 265 HB3 TRP 36 3HB TRP 36 -3.798 -17.767 -1.387 266 HD1 TRP 36 HD1 TRP 36 -5.827 -16.353 -1.008 267 HE1 TRP 36 HE1 TRP 36 -7.248 -14.744 -2.350 268 HE3 TRP 36 HE3 TRP 36 -2.684 -15.628 -5.019 269 HZ2 TRP 36 HZ2 TRP 36 -6.941 -13.065 -4.676 270 HZ3 TRP 36 HZ3 TRP 36 -3.243 -13.916 -6.715 271 HH2 TRP 36 HH2 TRP 36 -5.375 -12.646 -6.575 272 H CYS 37 H CYS 37 -0.674 -14.565 -2.316 273 HA CYS 37 HA CYS 37 0.282 -15.424 -5.018 274 HB2 CYS 37 2HB CYS 37 -1.287 -13.552 -4.983 275 HB3 CYS 37 3HB CYS 37 -0.276 -12.695 -3.827 276 HG CYS 37 HG CYS 37 0.396 -13.643 -6.944 277 H GLY 38 H GLY 38 2.385 -15.892 -5.239 278 HA2 GLY 38 2HA GLY 38 4.330 -15.690 -3.193 279 HA3 GLY 38 3HA GLY 38 4.665 -15.993 -4.892 280 HA PRO 39 HA PRO 39 6.116 -11.730 -5.464 281 HB2 PRO 39 2HB PRO 39 3.515 -10.930 -6.783 282 HB3 PRO 39 3HB PRO 39 5.185 -10.499 -7.263 283 HG2 PRO 39 2HG PRO 39 3.923 -12.499 -8.550 284 HG3 PRO 39 3HG PRO 39 5.621 -12.736 -8.018 285 HD2 PRO 39 2HD PRO 39 3.088 -13.745 -6.724 286 HD3 PRO 39 3HD PRO 39 4.645 -14.580 -6.955 287 H CYS 40 H CYS 40 2.701 -11.799 -4.284 288 HA CYS 40 HA CYS 40 2.834 -9.290 -2.851 289 HB2 CYS 40 2HB CYS 40 1.111 -11.766 -2.444 290 HB3 CYS 40 3HB CYS 40 0.948 -10.271 -1.540 291 HG CYS 40 HG CYS 40 0.759 -10.672 -4.824 292 H LYS 41 H LYS 41 3.425 -12.681 -1.831 293 HA LYS 41 HA LYS 41 4.274 -12.111 0.860 294 HB2 LYS 41 2HB LYS 41 4.888 -14.390 -1.070 295 HB3 LYS 41 3HB LYS 41 5.416 -14.393 0.597 296 HG2 LYS 41 2HG LYS 41 2.475 -14.075 -0.161 297 HG3 LYS 41 3HG LYS 41 3.234 -15.653 -0.031 298 HD2 LYS 41 2HD LYS 41 3.143 -13.626 2.247 299 HD3 LYS 41 3HD LYS 41 1.981 -14.941 2.006 300 HE2 LYS 41 2HE LYS 41 3.835 -16.601 2.094 301 HE3 LYS 41 3HE LYS 41 4.984 -15.298 2.408 302 HZ1 LYS 41 3HZ LYS 41 4.284 -16.349 4.473 303 HZ2 LYS 41 1HZ LYS 41 2.713 -16.029 4.183 304 HZ3 LYS 41 2HZ LYS 41 3.762 -14.805 4.467 305 H MET 42 H MET 42 6.061 -12.038 -2.192 306 HA MET 42 HA MET 42 8.656 -11.658 -0.991 307 HB2 MET 42 2HB MET 42 8.235 -12.612 -3.248 308 HB3 MET 42 3HB MET 42 7.725 -11.013 -3.812 309 HG2 MET 42 2HG MET 42 9.958 -10.107 -3.352 310 HG3 MET 42 3HG MET 42 10.445 -11.627 -2.604 311 HE1 MET 42 3HE MET 42 9.678 -9.708 -5.920 312 HE2 MET 42 1HE MET 42 9.837 -10.971 -7.160 313 HE3 MET 42 2HE MET 42 8.453 -10.995 -6.051 314 H VAL 43 H VAL 43 6.232 -9.290 -2.256 315 HA VAL 43 HA VAL 43 8.028 -7.067 -1.604 316 HB VAL 43 HB VAL 43 6.463 -7.142 -3.563 317 HG11 VAL 43 1HG1 VAL 43 4.396 -7.811 -2.392 318 HG12 VAL 43 2HG1 VAL 43 4.368 -6.253 -1.541 319 HG13 VAL 43 3HG1 VAL 43 4.203 -6.307 -3.303 320 HG21 VAL 43 3HG2 VAL 43 6.110 -4.752 -3.591 321 HG22 VAL 43 1HG2 VAL 43 6.325 -4.654 -1.836 322 HG23 VAL 43 2HG2 VAL 43 7.689 -5.119 -2.875 323 H ALA 44 H ALA 44 5.583 -8.763 0.214 324 HA ALA 44 HA ALA 44 4.839 -6.842 2.103 325 HB1 ALA 44 3HB ALA 44 4.436 -8.765 3.601 326 HB2 ALA 44 1HB ALA 44 3.843 -9.064 1.956 327 HB3 ALA 44 2HB ALA 44 5.350 -9.818 2.501 328 HA PRO 45 HA PRO 45 8.630 -7.490 4.931 329 HB2 PRO 45 2HB PRO 45 10.988 -8.496 3.929 330 HB3 PRO 45 3HB PRO 45 9.717 -9.494 4.695 331 HG2 PRO 45 2HG PRO 45 10.145 -8.985 1.732 332 HG3 PRO 45 3HG PRO 45 9.908 -10.559 2.562 333 HD2 PRO 45 2HD PRO 45 7.839 -9.325 1.377 334 HD3 PRO 45 3HD PRO 45 7.616 -10.106 2.965 335 H VAL 46 H VAL 46 9.210 -6.706 1.500 336 HA VAL 46 HA VAL 46 11.115 -4.570 1.947 337 HB VAL 46 HB VAL 46 9.247 -5.264 -0.348 338 HG11 VAL 46 1HG1 VAL 46 11.015 -2.840 -0.053 339 HG12 VAL 46 2HG1 VAL 46 10.600 -3.543 -1.648 340 HG13 VAL 46 3HG1 VAL 46 9.331 -2.935 -0.574 341 HG21 VAL 46 3HG2 VAL 46 11.346 -5.783 -1.496 342 HG22 VAL 46 1HG2 VAL 46 12.266 -5.325 -0.039 343 HG23 VAL 46 2HG2 VAL 46 11.183 -6.730 -0.015 344 H LEU 47 H LEU 47 7.544 -4.568 1.537 345 HA LEU 47 HA LEU 47 7.249 -1.757 2.087 346 HB2 LEU 47 2HB LEU 47 5.393 -4.155 2.110 347 HB3 LEU 47 3HB LEU 47 4.818 -2.563 2.593 348 HG LEU 47 HG LEU 47 6.154 -3.041 -0.104 349 HD11 LEU 47 1HD1 LEU 47 3.215 -3.068 0.646 350 HD12 LEU 47 2HD1 LEU 47 4.165 -4.449 0.065 351 HD13 LEU 47 3HD1 LEU 47 3.857 -3.084 -1.018 352 HD21 LEU 47 3HD2 LEU 47 6.092 -0.669 0.615 353 HD22 LEU 47 1HD2 LEU 47 4.357 -0.816 0.970 354 HD23 LEU 47 2HD2 LEU 47 4.948 -0.948 -0.694 355 H GLU 48 H GLU 48 7.304 -4.590 4.258 356 HA GLU 48 HA GLU 48 6.518 -3.167 6.612 357 HB2 GLU 48 2HB GLU 48 6.532 -5.659 6.265 358 HB3 GLU 48 3HB GLU 48 8.303 -5.624 6.401 359 HG2 GLU 48 2HG GLU 48 8.081 -4.685 8.688 360 HG3 GLU 48 3HG GLU 48 6.321 -4.640 8.481 361 H GLU 49 H GLU 49 9.803 -3.803 5.254 362 HA GLU 49 HA GLU 49 11.237 -2.285 7.243 363 HB2 GLU 49 2HB GLU 49 11.827 -3.019 4.350 364 HB3 GLU 49 3HB GLU 49 12.891 -1.986 5.312 365 HG2 GLU 49 2HG GLU 49 13.146 -3.742 7.004 366 HG3 GLU 49 3HG GLU 49 12.069 -4.803 6.101 367 H ILE 50 H ILE 50 9.883 -1.279 4.036 368 HA ILE 50 HA ILE 50 10.700 1.453 4.277 369 HB ILE 50 HB ILE 50 8.494 0.093 2.701 370 HG12 ILE 50 2HG1 ILE 50 11.120 1.381 1.811 371 HG13 ILE 50 3HG1 ILE 50 10.971 -0.327 2.198 372 HG21 ILE 50 1HG2 ILE 50 8.268 2.176 1.387 373 HG22 ILE 50 2HG2 ILE 50 7.762 2.426 3.041 374 HG23 ILE 50 3HG2 ILE 50 9.352 3.016 2.510 375 HD11 ILE 50 3HD1 ILE 50 9.187 -0.489 0.387 376 HD12 ILE 50 1HD1 ILE 50 9.716 1.141 -0.116 377 HD13 ILE 50 2HD1 ILE 50 10.858 -0.204 -0.143 378 H ALA 51 H ALA 51 7.676 -0.146 5.409 379 HA ALA 51 HA ALA 51 6.405 2.149 6.472 380 HB1 ALA 51 3HB ALA 51 5.150 0.565 7.814 381 HB2 ALA 51 1HB ALA 51 5.450 -0.195 6.237 382 HB3 ALA 51 2HB ALA 51 6.404 -0.675 7.642 383 H THR 52 H THR 52 8.741 -0.098 8.036 384 HA THR 52 HA THR 52 8.564 1.269 10.583 385 HB THR 52 HB THR 52 10.520 -0.869 9.661 386 HG1 THR 52 HG1 THR 52 8.563 -1.711 9.422 387 HG21 THR 52 3HG2 THR 52 9.530 -0.056 12.438 388 HG22 THR 52 1HG2 THR 52 11.191 0.122 11.822 389 HG23 THR 52 2HG2 THR 52 10.512 -1.493 12.072 390 H GLU 53 H GLU 53 10.840 1.462 7.879 391 HA GLU 53 HA GLU 53 12.676 3.209 9.396 392 HB2 GLU 53 2HB GLU 53 12.825 2.120 6.562 393 HB3 GLU 53 3HB GLU 53 14.085 3.024 7.401 394 HG2 GLU 53 2HG GLU 53 14.019 1.213 9.214 395 HG3 GLU 53 3HG GLU 53 13.044 0.252 8.126 396 H ARG 54 H ARG 54 10.139 3.692 6.985 397 HA ARG 54 HA ARG 54 10.976 6.565 6.667 398 HB2 ARG 54 2HB ARG 54 9.158 5.037 4.801 399 HB3 ARG 54 3HB ARG 54 9.899 6.595 4.529 400 HG2 ARG 54 2HG ARG 54 11.473 3.981 4.685 401 HG3 ARG 54 3HG ARG 54 10.839 4.688 3.212 402 HD2 ARG 54 2HD ARG 54 13.175 5.211 3.391 403 HD3 ARG 54 3HD ARG 54 12.211 6.692 3.502 404 HE ARG 54 HE ARG 54 12.767 5.656 6.131 405 HH11 ARG 54 1HH1 ARG 54 14.527 7.321 3.592 406 HH12 ARG 54 2HH1 ARG 54 15.409 8.274 4.784 407 HH21 ARG 54 1HH2 ARG 54 13.963 6.791 7.493 408 HH22 ARG 54 2HH2 ARG 54 15.123 7.974 6.897 409 H ALA 55 H ALA 55 9.194 5.200 8.773 410 HA ALA 55 HA ALA 55 6.555 6.023 8.638 411 HB1 ALA 55 3HB ALA 55 8.410 6.029 11.061 412 HB2 ALA 55 1HB ALA 55 6.636 5.973 11.106 413 HB3 ALA 55 2HB ALA 55 7.543 4.619 10.419 414 H THR 56 H THR 56 9.343 8.110 9.167 415 HA THR 56 HA THR 56 8.002 10.435 10.214 416 HB THR 56 HB THR 56 10.134 11.578 9.432 417 HG1 THR 56 HG1 THR 56 11.766 10.207 8.705 418 HG21 THR 56 3HG2 THR 56 10.529 9.045 11.091 419 HG22 THR 56 1HG2 THR 56 9.929 10.600 11.708 420 HG23 THR 56 2HG2 THR 56 11.577 10.480 11.072 421 H ASP 57 H ASP 57 8.224 9.152 6.973 422 HA ASP 57 HA ASP 57 7.050 11.693 5.878 423 HB2 ASP 57 2HB ASP 57 9.347 10.928 5.015 424 HB3 ASP 57 3HB ASP 57 8.501 9.564 4.278 425 H LEU 58 H LEU 58 6.957 8.122 5.660 426 HA LEU 58 HA LEU 58 4.364 8.208 4.203 427 HB2 LEU 58 2HB LEU 58 6.310 5.937 4.793 428 HB3 LEU 58 3HB LEU 58 4.829 5.780 3.858 429 HG LEU 58 HG LEU 58 7.246 7.455 3.044 430 HD11 LEU 58 1HD1 LEU 58 6.180 4.806 1.971 431 HD12 LEU 58 2HD1 LEU 58 7.629 5.007 2.979 432 HD13 LEU 58 3HD1 LEU 58 7.584 5.712 1.357 433 HD21 LEU 58 3HD2 LEU 58 6.072 7.485 0.818 434 HD22 LEU 58 1HD2 LEU 58 5.250 8.419 2.068 435 HD23 LEU 58 2HD2 LEU 58 4.628 6.814 1.605 436 H THR 59 H THR 59 2.520 7.247 4.972 437 HA THR 59 HA THR 59 2.788 5.453 7.369 438 HB THR 59 HB THR 59 0.271 6.840 6.392 439 HG1 THR 59 HG1 THR 59 0.359 7.660 8.532 440 HG21 THR 59 3HG2 THR 59 -0.800 5.749 8.357 441 HG22 THR 59 1HG2 THR 59 0.687 4.818 8.645 442 HG23 THR 59 2HG2 THR 59 -0.271 4.557 7.167 443 H VAL 60 H VAL 60 2.819 3.360 6.764 444 HA VAL 60 HA VAL 60 1.978 2.698 3.973 445 HB VAL 60 HB VAL 60 3.920 1.290 5.779 446 HG11 VAL 60 1HG1 VAL 60 2.845 -0.354 4.308 447 HG12 VAL 60 2HG1 VAL 60 3.092 0.702 2.900 448 HG13 VAL 60 3HG1 VAL 60 4.480 -0.042 3.726 449 HG21 VAL 60 3HG2 VAL 60 4.353 2.945 3.253 450 HG22 VAL 60 1HG2 VAL 60 4.859 3.387 4.898 451 HG23 VAL 60 2HG2 VAL 60 5.607 2.007 4.087 452 H ALA 61 H ALA 61 0.288 1.524 3.646 453 HA ALA 61 HA ALA 61 -0.858 -0.159 5.817 454 HB1 ALA 61 3HB ALA 61 -2.344 1.652 3.880 455 HB2 ALA 61 1HB ALA 61 -3.068 0.636 5.142 456 HB3 ALA 61 2HB ALA 61 -2.041 2.011 5.592 457 H LYS 62 H LYS 62 -2.336 -1.796 5.093 458 HA LYS 62 HA LYS 62 -1.901 -2.834 2.325 459 HB2 LYS 62 2HB LYS 62 -1.392 -4.130 4.984 460 HB3 LYS 62 3HB LYS 62 -2.137 -5.124 3.739 461 HG2 LYS 62 2HG LYS 62 -0.335 -4.667 2.170 462 HG3 LYS 62 3HG LYS 62 0.443 -3.559 3.315 463 HD2 LYS 62 2HD LYS 62 0.882 -5.341 4.881 464 HD3 LYS 62 3HD LYS 62 -0.081 -6.495 3.966 465 HE2 LYS 62 2HE LYS 62 2.485 -5.189 2.950 466 HE3 LYS 62 3HE LYS 62 2.388 -6.778 3.720 467 HZ1 LYS 62 3HZ LYS 62 0.778 -7.379 1.886 468 HZ2 LYS 62 1HZ LYS 62 2.318 -7.137 1.381 469 HZ3 LYS 62 2HZ LYS 62 1.208 -5.996 1.106 470 H LEU 63 H LEU 63 -3.501 -3.880 1.348 471 HA LEU 63 HA LEU 63 -6.094 -4.303 2.761 472 HB2 LEU 63 2HB LEU 63 -6.330 -2.358 1.347 473 HB3 LEU 63 3HB LEU 63 -5.630 -3.186 -0.029 474 HG LEU 63 HG LEU 63 -8.069 -2.842 -0.124 475 HD11 LEU 63 1HD1 LEU 63 -8.659 -4.821 -1.169 476 HD12 LEU 63 2HD1 LEU 63 -7.689 -5.820 -0.099 477 HD13 LEU 63 3HD1 LEU 63 -6.883 -4.809 -1.302 478 HD21 LEU 63 3HD2 LEU 63 -8.201 -4.852 2.162 479 HD22 LEU 63 1HD2 LEU 63 -9.560 -4.432 1.128 480 HD23 LEU 63 2HD2 LEU 63 -8.811 -3.181 2.120 481 H ASP 64 H ASP 64 -6.452 -6.422 2.884 482 HA ASP 64 HA ASP 64 -5.104 -8.337 1.094 483 HB2 ASP 64 2HB ASP 64 -5.359 -8.800 3.569 484 HB3 ASP 64 3HB ASP 64 -7.067 -8.744 3.338 485 H VAL 65 H VAL 65 -5.986 -8.684 -0.893 486 HA VAL 65 HA VAL 65 -8.637 -7.792 -1.532 487 HB VAL 65 HB VAL 65 -8.281 -8.537 -3.764 488 HG11 VAL 65 1HG1 VAL 65 -7.105 -6.484 -2.993 489 HG12 VAL 65 2HG1 VAL 65 -5.642 -7.443 -2.724 490 HG13 VAL 65 3HG1 VAL 65 -6.315 -7.280 -4.358 491 HG21 VAL 65 3HG2 VAL 65 -6.407 -9.792 -4.567 492 HG22 VAL 65 1HG2 VAL 65 -5.698 -9.884 -2.948 493 HG23 VAL 65 2HG2 VAL 65 -7.197 -10.763 -3.325 494 H ASP 66 H ASP 66 -7.669 -10.792 -0.225 495 HA ASP 66 HA ASP 66 -9.882 -12.348 -1.385 496 HB2 ASP 66 2HB ASP 66 -7.496 -13.175 -0.829 497 HB3 ASP 66 3HB ASP 66 -8.022 -13.204 0.852 498 H THR 67 H THR 67 -8.995 -10.917 1.753 499 HA THR 67 HA THR 67 -11.530 -11.751 3.011 500 HB THR 67 HB THR 67 -10.534 -10.622 5.049 501 HG1 THR 67 HG1 THR 67 -8.248 -10.528 3.465 502 HG21 THR 67 3HG2 THR 67 -8.833 -12.780 3.740 503 HG22 THR 67 1HG2 THR 67 -10.305 -13.056 4.697 504 HG23 THR 67 2HG2 THR 67 -8.867 -12.363 5.468 505 H ASN 68 H ASN 68 -10.267 -8.741 1.615 506 HA ASN 68 HA ASN 68 -12.968 -7.562 2.120 507 HB2 ASN 68 2HB ASN 68 -10.271 -6.221 2.546 508 HB3 ASN 68 3HB ASN 68 -11.817 -5.363 2.521 509 HD21 ASN 68 1HD2 ASN 68 -13.468 -6.026 4.191 510 HD22 ASN 68 2HD2 ASN 68 -12.844 -6.606 5.724 511 HA PRO 69 HA PRO 69 -11.610 -7.644 -2.330 512 HB2 PRO 69 2HB PRO 69 -14.449 -8.485 -2.814 513 HB3 PRO 69 3HB PRO 69 -12.939 -9.156 -3.495 514 HG2 PRO 69 2HG PRO 69 -14.313 -10.475 -1.553 515 HG3 PRO 69 3HG PRO 69 -12.523 -10.420 -1.518 516 HD2 PRO 69 2HD PRO 69 -14.483 -8.691 0.011 517 HD3 PRO 69 3HD PRO 69 -13.043 -9.558 0.600 518 H GLU 70 H GLU 70 -14.465 -6.152 -0.864 519 HA GLU 70 HA GLU 70 -15.369 -4.630 -3.104 520 HB2 GLU 70 2HB GLU 70 -15.599 -4.051 -0.118 521 HB3 GLU 70 3HB GLU 70 -16.516 -3.230 -1.379 522 HG2 GLU 70 2HG GLU 70 -16.672 -6.210 -0.739 523 HG3 GLU 70 3HG GLU 70 -17.822 -4.987 -0.227 524 H THR 71 H THR 71 -12.917 -3.884 -0.647 525 HA THR 71 HA THR 71 -12.435 -1.156 -1.362 526 HB THR 71 HB THR 71 -10.219 -2.945 -0.432 527 HG1 THR 71 HG1 THR 71 -11.616 -3.685 0.964 528 HG21 THR 71 3HG2 THR 71 -11.146 -0.167 0.408 529 HG22 THR 71 1HG2 THR 71 -9.767 -0.533 -0.649 530 HG23 THR 71 2HG2 THR 71 -9.728 -1.024 1.051 531 H ALA 72 H ALA 72 -10.992 -4.212 -2.550 532 HA ALA 72 HA ALA 72 -9.060 -3.015 -4.314 533 HB1 ALA 72 3HB ALA 72 -9.029 -5.369 -3.429 534 HB2 ALA 72 1HB ALA 72 -10.383 -5.752 -4.508 535 HB3 ALA 72 2HB ALA 72 -8.818 -5.251 -5.181 536 H ARG 73 H ARG 73 -12.433 -4.063 -4.807 537 HA ARG 73 HA ARG 73 -12.416 -3.387 -7.609 538 HB2 ARG 73 2HB ARG 73 -13.949 -5.033 -6.474 539 HB3 ARG 73 3HB ARG 73 -14.858 -3.688 -5.785 540 HG2 ARG 73 2HG ARG 73 -14.353 -3.916 -8.775 541 HG3 ARG 73 3HG ARG 73 -15.637 -4.846 -8.017 542 HD2 ARG 73 2HD ARG 73 -16.895 -2.947 -7.426 543 HD3 ARG 73 3HD ARG 73 -15.572 -1.827 -7.679 544 HE ARG 73 HE ARG 73 -17.358 -2.917 -9.704 545 HH11 ARG 73 1HH1 ARG 73 -14.209 -1.374 -9.286 546 HH12 ARG 73 2HH1 ARG 73 -14.030 -1.095 -10.992 547 HH21 ARG 73 1HH2 ARG 73 -17.117 -2.349 -11.853 548 HH22 ARG 73 2HH2 ARG 73 -15.689 -1.489 -12.362 549 H ASN 74 H ASN 74 -13.558 -1.559 -4.740 550 HA ASN 74 HA ASN 74 -14.809 0.485 -6.208 551 HB2 ASN 74 2HB ASN 74 -15.072 -0.073 -3.756 552 HB3 ASN 74 3HB ASN 74 -13.524 0.713 -3.447 553 HD21 ASN 74 1HD2 ASN 74 -14.967 1.987 -1.935 554 HD22 ASN 74 2HD2 ASN 74 -15.797 3.378 -2.636 555 H PHE 75 H PHE 75 -11.383 0.204 -5.322 556 HA PHE 75 HA PHE 75 -10.801 2.858 -6.543 557 HB2 PHE 75 2HB PHE 75 -9.109 1.071 -4.786 558 HB3 PHE 75 3HB PHE 75 -8.585 2.608 -5.469 559 HD1 PHE 75 HD2 PHE 75 -10.208 4.680 -4.988 560 HD2 PHE 75 HD1 PHE 75 -10.007 1.092 -2.606 561 HE1 PHE 75 HE2 PHE 75 -11.238 5.886 -3.076 562 HE2 PHE 75 HE1 PHE 75 -11.049 2.294 -0.705 563 HZ PHE 75 HZ PHE 75 -11.673 4.691 -0.937 564 H GLN 76 H GLN 76 -11.299 0.020 -7.870 565 HA GLN 76 HA GLN 76 -10.546 -1.235 -9.551 566 HB2 GLN 76 2HB GLN 76 -11.229 0.977 -10.630 567 HB3 GLN 76 3HB GLN 76 -9.511 1.344 -10.738 568 HG2 GLN 76 2HG GLN 76 -10.016 0.453 -12.849 569 HG3 GLN 76 3HG GLN 76 -9.235 -0.877 -12.015 570 HE21 GLN 76 1HE2 GLN 76 -10.241 -2.430 -13.459 571 HE22 GLN 76 2HE2 GLN 76 -11.957 -2.782 -13.318 572 H VAL 77 H VAL 77 -8.891 -1.742 -7.636 573 HA VAL 77 HA VAL 77 -6.216 -2.083 -8.900 574 HB VAL 77 HB VAL 77 -5.287 -1.831 -6.580 575 HG11 VAL 77 1HG1 VAL 77 -4.867 -0.156 -8.290 576 HG12 VAL 77 2HG1 VAL 77 -6.375 0.681 -7.872 577 HG13 VAL 77 3HG1 VAL 77 -5.044 0.594 -6.703 578 HG21 VAL 77 3HG2 VAL 77 -7.834 -0.248 -6.074 579 HG22 VAL 77 1HG2 VAL 77 -7.459 -1.816 -5.340 580 HG23 VAL 77 2HG2 VAL 77 -6.444 -0.400 -4.992 581 H VAL 78 H VAL 78 -8.095 -3.847 -9.280 582 HA VAL 78 HA VAL 78 -8.244 -5.909 -7.244 583 HB VAL 78 HB VAL 78 -9.508 -7.176 -8.936 584 HG11 VAL 78 1HG1 VAL 78 -10.639 -5.560 -7.458 585 HG12 VAL 78 2HG1 VAL 78 -10.424 -4.285 -8.682 586 HG13 VAL 78 3HG1 VAL 78 -11.439 -5.698 -9.031 587 HG21 VAL 78 3HG2 VAL 78 -8.383 -6.395 -11.011 588 HG22 VAL 78 1HG2 VAL 78 -10.135 -6.187 -11.073 589 HG23 VAL 78 2HG2 VAL 78 -9.097 -4.781 -10.786 590 H SER 79 H SER 79 -6.032 -5.336 -9.864 591 HA SER 79 HA SER 79 -4.845 -8.004 -9.930 592 HB2 SER 79 2HB SER 79 -3.696 -5.303 -10.744 593 HB3 SER 79 3HB SER 79 -3.009 -6.893 -11.128 594 HG SER 79 HG SER 79 -4.279 -6.068 -12.857 595 H ILE 80 H ILE 80 -2.698 -8.528 -9.054 596 HA ILE 80 HA ILE 80 -1.849 -6.907 -6.748 597 HB ILE 80 HB ILE 80 -1.844 -8.761 -5.222 598 HG12 ILE 80 2HG1 ILE 80 -1.482 -10.702 -6.543 599 HG13 ILE 80 3HG1 ILE 80 -2.911 -10.897 -5.556 600 HG21 ILE 80 1HG2 ILE 80 -3.838 -7.333 -5.324 601 HG22 ILE 80 2HG2 ILE 80 -4.635 -8.529 -6.358 602 HG23 ILE 80 3HG2 ILE 80 -4.149 -8.958 -4.705 603 HD11 ILE 80 3HD1 ILE 80 -4.339 -10.463 -7.581 604 HD12 ILE 80 1HD1 ILE 80 -2.849 -10.402 -8.562 605 HD13 ILE 80 2HD1 ILE 80 -3.288 -11.881 -7.727 606 HA PRO 81 HA PRO 81 -0.369 -6.939 -5.064 607 HB2 PRO 81 2HB PRO 81 2.095 -5.865 -4.606 608 HB3 PRO 81 3HB PRO 81 1.636 -7.501 -4.065 609 HG2 PRO 81 2HG PRO 81 3.205 -6.710 -6.528 610 HG3 PRO 81 3HG PRO 81 3.549 -8.031 -5.368 611 HD2 PRO 81 2HD PRO 81 2.290 -8.457 -7.774 612 HD3 PRO 81 3HD PRO 81 1.909 -9.417 -6.316 613 H THR 82 H THR 82 -1.102 -4.838 -5.180 614 HA THR 82 HA THR 82 0.031 -3.018 -7.275 615 HB THR 82 HB THR 82 -2.917 -3.319 -6.635 616 HG1 THR 82 HG1 THR 82 -2.721 -4.711 -8.120 617 HG21 THR 82 3HG2 THR 82 -3.193 -1.735 -8.552 618 HG22 THR 82 1HG2 THR 82 -1.445 -1.438 -8.539 619 HG23 THR 82 2HG2 THR 82 -2.445 -0.968 -7.143 620 H LEU 83 H LEU 83 0.793 -1.239 -6.483 621 HA LEU 83 HA LEU 83 0.068 -0.368 -3.732 622 HB2 LEU 83 2HB LEU 83 2.513 0.276 -5.408 623 HB3 LEU 83 3HB LEU 83 2.157 0.901 -3.813 624 HG LEU 83 HG LEU 83 2.303 -1.415 -2.874 625 HD11 LEU 83 1HD1 LEU 83 3.321 -2.119 -5.670 626 HD12 LEU 83 2HD1 LEU 83 2.010 -2.916 -4.763 627 HD13 LEU 83 3HD1 LEU 83 3.663 -3.083 -4.216 628 HD21 LEU 83 3HD2 LEU 83 4.753 -1.465 -2.963 629 HD22 LEU 83 1HD2 LEU 83 4.180 0.205 -2.834 630 HD23 LEU 83 2HD2 LEU 83 4.747 -0.417 -4.396 631 H ILE 84 H ILE 84 -0.978 1.495 -3.464 632 HA ILE 84 HA ILE 84 -0.953 3.551 -5.634 633 HB ILE 84 HB ILE 84 -3.172 2.435 -5.536 634 HG12 ILE 84 2HG1 ILE 84 -4.582 4.489 -5.156 635 HG13 ILE 84 3HG1 ILE 84 -3.138 5.343 -4.611 636 HG21 ILE 84 1HG2 ILE 84 -3.174 1.767 -3.216 637 HG22 ILE 84 2HG2 ILE 84 -3.363 3.448 -2.703 638 HG23 ILE 84 3HG2 ILE 84 -4.643 2.658 -3.644 639 HD11 ILE 84 3HD1 ILE 84 -2.115 5.014 -6.852 640 HD12 ILE 84 1HD1 ILE 84 -3.537 4.082 -7.366 641 HD13 ILE 84 2HD1 ILE 84 -3.690 5.807 -6.980 642 H LEU 85 H LEU 85 -0.168 5.431 -5.091 643 HA LEU 85 HA LEU 85 0.401 6.021 -2.219 644 HB2 LEU 85 2HB LEU 85 2.335 5.700 -3.812 645 HB3 LEU 85 3HB LEU 85 1.699 7.026 -4.756 646 HG LEU 85 HG LEU 85 2.015 8.554 -2.797 647 HD11 LEU 85 1HD1 LEU 85 3.535 6.237 -1.570 648 HD12 LEU 85 2HD1 LEU 85 2.002 6.917 -0.958 649 HD13 LEU 85 3HD1 LEU 85 3.462 7.900 -0.956 650 HD21 LEU 85 3HD2 LEU 85 4.515 7.058 -3.694 651 HD22 LEU 85 1HD2 LEU 85 4.441 8.714 -3.053 652 HD23 LEU 85 2HD2 LEU 85 3.705 8.345 -4.613 653 H PHE 86 H PHE 86 -0.592 7.626 -1.267 654 HA PHE 86 HA PHE 86 -1.854 9.820 -2.846 655 HB2 PHE 86 2HB PHE 86 -2.593 8.881 -0.053 656 HB3 PHE 86 3HB PHE 86 -3.418 10.096 -1.013 657 HD1 PHE 86 HD2 PHE 86 -2.828 6.472 -0.544 658 HD2 PHE 86 HD1 PHE 86 -5.037 9.443 -2.745 659 HE1 PHE 86 HE2 PHE 86 -4.414 4.735 -1.311 660 HE2 PHE 86 HE1 PHE 86 -6.574 7.686 -3.578 661 HZ PHE 86 HZ PHE 86 -6.268 5.318 -2.858 662 H LYS 87 H LYS 87 -1.366 11.942 -2.219 663 HA LYS 87 HA LYS 87 0.956 12.207 -0.324 664 HB2 LYS 87 2HB LYS 87 1.120 12.761 -2.788 665 HB3 LYS 87 3HB LYS 87 0.128 14.189 -2.460 666 HG2 LYS 87 2HG LYS 87 1.849 14.992 -0.858 667 HG3 LYS 87 3HG LYS 87 2.779 13.497 -1.105 668 HD2 LYS 87 2HD LYS 87 3.008 14.060 -3.526 669 HD3 LYS 87 3HD LYS 87 2.209 15.609 -3.232 670 HE2 LYS 87 2HE LYS 87 4.789 14.662 -1.885 671 HE3 LYS 87 3HE LYS 87 4.733 15.684 -3.321 672 HZ1 LYS 87 3HZ LYS 87 3.627 16.443 -0.668 673 HZ2 LYS 87 1HZ LYS 87 3.551 17.369 -2.014 674 HZ3 LYS 87 2HZ LYS 87 4.993 17.031 -1.337 675 H ASP 88 H ASP 88 -2.235 13.442 -0.875 676 HA ASP 88 HA ASP 88 -2.394 14.581 1.846 677 HB2 ASP 88 2HB ASP 88 -1.567 16.432 0.405 678 HB3 ASP 88 3HB ASP 88 -2.943 16.216 -0.669 679 H GLY 89 H GLY 89 -3.478 12.227 0.984 680 HA2 GLY 89 2HA GLY 89 -5.366 10.987 0.690 681 HA3 GLY 89 3HA GLY 89 -6.362 12.413 0.972 682 H GLN 90 H GLN 90 -4.504 13.439 -1.514 683 HA GLN 90 HA GLN 90 -6.214 12.322 -3.653 684 HB2 GLN 90 2HB GLN 90 -5.360 14.065 -5.080 685 HB3 GLN 90 3HB GLN 90 -6.061 14.723 -3.601 686 HG2 GLN 90 2HG GLN 90 -3.754 15.041 -2.674 687 HG3 GLN 90 3HG GLN 90 -3.076 14.423 -4.183 688 HE21 GLN 90 1HE2 GLN 90 -2.077 16.783 -3.669 689 HE22 GLN 90 2HE2 GLN 90 -2.892 18.058 -4.563 690 HA PRO 91 HA PRO 91 -2.968 9.489 -4.668 691 HB2 PRO 91 2HB PRO 91 -3.727 8.577 -7.118 692 HB3 PRO 91 3HB PRO 91 -4.625 8.205 -5.614 693 HG2 PRO 91 2HG PRO 91 -5.216 10.386 -7.644 694 HG3 PRO 91 3HG PRO 91 -6.355 9.195 -6.938 695 HD2 PRO 91 2HD PRO 91 -6.121 11.728 -5.956 696 HD3 PRO 91 3HD PRO 91 -6.416 10.331 -4.876 697 H VAL 92 H VAL 92 -1.020 9.392 -5.677 698 HA VAL 92 HA VAL 92 -0.344 11.408 -7.794 699 HB VAL 92 HB VAL 92 1.811 11.809 -6.658 700 HG11 VAL 92 1HG1 VAL 92 -0.573 12.544 -4.920 701 HG12 VAL 92 2HG1 VAL 92 0.977 13.404 -5.070 702 HG13 VAL 92 3HG1 VAL 92 -0.134 13.348 -6.442 703 HG21 VAL 92 3HG2 VAL 92 0.588 10.473 -4.208 704 HG22 VAL 92 1HG2 VAL 92 1.877 9.765 -5.208 705 HG23 VAL 92 2HG2 VAL 92 2.168 11.270 -4.334 706 H LYS 93 H LYS 93 0.229 8.119 -6.625 707 HA LYS 93 HA LYS 93 1.592 7.517 -9.163 708 HB2 LYS 93 2HB LYS 93 3.381 8.324 -7.519 709 HB3 LYS 93 3HB LYS 93 3.006 6.911 -6.534 710 HG2 LYS 93 2HG LYS 93 3.623 5.442 -8.473 711 HG3 LYS 93 3HG LYS 93 4.065 6.898 -9.394 712 HD2 LYS 93 2HD LYS 93 5.773 7.458 -7.651 713 HD3 LYS 93 3HD LYS 93 5.248 6.056 -6.710 714 HE2 LYS 93 2HE LYS 93 7.048 5.151 -7.730 715 HE3 LYS 93 3HE LYS 93 5.796 4.673 -8.873 716 HZ1 LYS 93 3HZ LYS 93 7.757 5.560 -9.959 717 HZ2 LYS 93 1HZ LYS 93 7.691 6.959 -9.136 718 HZ3 LYS 93 2HZ LYS 93 6.512 6.609 -10.247 719 H ARG 94 H ARG 94 1.411 5.426 -9.765 720 HA ARG 94 HA ARG 94 0.222 3.383 -7.946 721 HB2 ARG 94 2HB ARG 94 -1.545 4.314 -9.373 722 HB3 ARG 94 3HB ARG 94 -0.585 3.983 -10.819 723 HG2 ARG 94 2HG ARG 94 -0.751 1.553 -10.405 724 HG3 ARG 94 3HG ARG 94 -1.652 1.854 -8.902 725 HD2 ARG 94 2HD ARG 94 -3.455 2.921 -10.154 726 HD3 ARG 94 3HD ARG 94 -2.547 2.783 -11.668 727 HE ARG 94 HE ARG 94 -2.646 0.233 -11.202 728 HH11 ARG 94 1HH2 ARG 94 -5.336 2.392 -10.453 729 HH12 ARG 94 2HH2 ARG 94 -6.477 1.060 -10.537 730 HH21 ARG 94 1HH1 ARG 94 -4.252 -1.325 -11.412 731 HH22 ARG 94 2HH1 ARG 94 -5.913 -0.860 -11.080 732 H ILE 95 H ILE 95 1.107 1.401 -8.055 733 HA ILE 95 HA ILE 95 3.053 0.694 -10.210 734 HB ILE 95 HB ILE 95 3.588 0.071 -7.291 735 HG12 ILE 95 2HG1 ILE 95 4.875 2.391 -8.790 736 HG13 ILE 95 3HG1 ILE 95 3.637 2.574 -7.545 737 HG21 ILE 95 1HG2 ILE 95 5.862 -0.430 -8.095 738 HG22 ILE 95 2HG2 ILE 95 4.685 -1.369 -8.980 739 HG23 ILE 95 3HG2 ILE 95 5.405 0.070 -9.738 740 HD11 ILE 95 3HD1 ILE 95 5.108 1.460 -5.885 741 HD12 ILE 95 1HD1 ILE 95 6.419 1.473 -7.090 742 HD13 ILE 95 2HD1 ILE 95 5.725 2.997 -6.510 743 H VAL 96 H VAL 96 2.938 -1.525 -10.792 744 HA VAL 96 HA VAL 96 1.567 -3.368 -8.949 745 HB VAL 96 HB VAL 96 -0.260 -2.923 -10.321 746 HG11 VAL 96 1HG1 VAL 96 0.811 -1.873 -12.279 747 HG12 VAL 96 2HG1 VAL 96 1.488 -3.443 -12.771 748 HG13 VAL 96 3HG1 VAL 96 -0.268 -3.172 -12.791 749 HG21 VAL 96 3HG2 VAL 96 -0.816 -5.027 -11.338 750 HG22 VAL 96 1HG2 VAL 96 0.885 -5.521 -11.398 751 HG23 VAL 96 2HG2 VAL 96 0.057 -5.312 -9.833 752 H GLY 97 H GLY 97 2.328 -5.378 -8.868 753 HA2 GLY 97 2HA GLY 97 3.758 -7.206 -9.407 754 HA3 GLY 97 3HA GLY 97 4.659 -6.211 -10.544 755 H ALA 98 H ALA 98 5.694 -7.874 -8.408 756 HA ALA 98 HA ALA 98 6.453 -6.178 -6.161 757 HB1 ALA 98 3HB ALA 98 5.884 -8.527 -5.850 758 HB2 ALA 98 1HB ALA 98 7.213 -9.024 -6.922 759 HB3 ALA 98 2HB ALA 98 7.567 -8.241 -5.367 760 H LYS 99 H LYS 99 8.441 -5.441 -5.593 761 HA LYS 99 HA LYS 99 10.813 -5.874 -7.322 762 HB2 LYS 99 2HB LYS 99 9.973 -3.105 -6.348 763 HB3 LYS 99 3HB LYS 99 11.438 -3.522 -7.235 764 HG2 LYS 99 2HG LYS 99 10.007 -4.310 -9.150 765 HG3 LYS 99 3HG LYS 99 8.584 -3.701 -8.281 766 HD2 LYS 99 2HD LYS 99 9.560 -1.410 -8.304 767 HD3 LYS 99 3HD LYS 99 10.962 -2.038 -9.206 768 HE2 LYS 99 2HE LYS 99 9.378 -2.876 -10.978 769 HE3 LYS 99 3HE LYS 99 8.043 -2.112 -10.109 770 HZ1 LYS 99 3HZ LYS 99 8.889 -0.690 -11.893 771 HZ2 LYS 99 1HZ LYS 99 10.387 -0.674 -11.250 772 HZ3 LYS 99 2HZ LYS 99 9.145 0.040 -10.455 773 H GLY 100 H GLY 100 12.869 -5.295 -6.164 774 HA2 GLY 100 2HA GLY 100 12.831 -6.258 -3.400 775 HA3 GLY 100 3HA GLY 100 14.242 -5.827 -4.371 776 H LYS 101 H LYS 101 14.053 -5.035 -1.770 777 HA LYS 101 HA LYS 101 12.805 -2.679 -1.059 778 HB2 LYS 101 2HB LYS 101 14.462 -4.386 0.194 779 HB3 LYS 101 3HB LYS 101 15.626 -3.111 -0.082 780 HG2 LYS 101 2HG LYS 101 12.970 -2.873 1.419 781 HG3 LYS 101 3HG LYS 101 14.563 -3.098 2.128 782 HD2 LYS 101 2HD LYS 101 15.231 -0.860 1.030 783 HD3 LYS 101 3HD LYS 101 13.507 -0.647 0.690 784 HE2 LYS 101 2HE LYS 101 14.022 0.544 2.691 785 HE3 LYS 101 3HE LYS 101 12.987 -0.823 3.103 786 HZ1 LYS 101 3HZ LYS 101 15.948 -0.828 3.427 787 HZ2 LYS 101 1HZ LYS 101 14.930 -2.012 3.941 788 HZ3 LYS 101 2HZ LYS 101 14.903 -0.541 4.645 789 H ALA 102 H ALA 102 15.747 -2.849 -2.994 790 HA ALA 102 HA ALA 102 16.376 -0.029 -2.660 791 HB1 ALA 102 3HB ALA 102 18.042 -0.454 -4.434 792 HB2 ALA 102 1HB ALA 102 18.105 -1.705 -3.180 793 HB3 ALA 102 2HB ALA 102 17.329 -2.052 -4.744 794 H ALA 103 H ALA 103 14.847 -1.885 -5.346 795 HA ALA 103 HA ALA 103 14.307 0.518 -6.896 796 HB1 ALA 103 3HB ALA 103 14.777 -1.616 -7.971 797 HB2 ALA 103 1HB ALA 103 13.378 -2.369 -7.179 798 HB3 ALA 103 2HB ALA 103 13.138 -1.082 -8.387 799 H LEU 104 H LEU 104 12.284 -1.532 -4.668 800 HA LEU 104 HA LEU 104 9.850 -0.102 -5.227 801 HB2 LEU 104 2HB LEU 104 10.350 -2.386 -3.965 802 HB3 LEU 104 3HB LEU 104 10.511 -1.356 -2.557 803 HG LEU 104 HG LEU 104 8.326 -2.306 -2.586 804 HD11 LEU 104 1HD1 LEU 104 8.458 0.135 -1.965 805 HD12 LEU 104 2HD1 LEU 104 6.868 -0.444 -2.461 806 HD13 LEU 104 3HD1 LEU 104 7.840 0.511 -3.591 807 HD21 LEU 104 3HD2 LEU 104 8.152 -2.908 -4.944 808 HD22 LEU 104 1HD2 LEU 104 7.904 -1.202 -5.388 809 HD23 LEU 104 2HD2 LEU 104 6.710 -2.056 -4.394 810 H LEU 105 H LEU 105 12.430 0.386 -2.689 811 HA LEU 105 HA LEU 105 11.190 2.853 -1.864 812 HB2 LEU 105 2HB LEU 105 12.679 1.546 -0.368 813 HB3 LEU 105 3HB LEU 105 14.052 2.031 -1.361 814 HG LEU 105 HG LEU 105 13.736 4.385 -0.773 815 HD11 LEU 105 1HD1 LEU 105 12.080 5.070 0.971 816 HD12 LEU 105 2HD1 LEU 105 11.276 3.493 0.788 817 HD13 LEU 105 3HD1 LEU 105 11.330 4.654 -0.559 818 HD21 LEU 105 3HD2 LEU 105 14.285 4.282 1.554 819 HD22 LEU 105 1HD2 LEU 105 14.975 2.861 0.756 820 HD23 LEU 105 2HD2 LEU 105 13.497 2.695 1.731 821 H ARG 106 H ARG 106 13.392 2.209 -4.627 822 HA ARG 106 HA ARG 106 13.996 4.966 -5.142 823 HB2 ARG 106 2HB ARG 106 14.571 2.634 -6.392 824 HB3 ARG 106 3HB ARG 106 13.252 3.124 -7.428 825 HG2 ARG 106 2HG ARG 106 15.922 4.435 -6.941 826 HG3 ARG 106 3HG ARG 106 15.289 3.775 -8.443 827 HD2 ARG 106 2HD ARG 106 14.410 6.313 -7.042 828 HD3 ARG 106 3HD ARG 106 15.339 6.193 -8.545 829 HE ARG 106 HE ARG 106 12.980 4.834 -9.130 830 HH11 ARG 106 2HH2 ARG 106 13.607 8.108 -7.976 831 HH12 ARG 106 1HH2 ARG 106 12.015 8.642 -8.508 832 HH21 ARG 106 1HH1 ARG 106 11.097 5.607 -9.767 833 HH22 ARG 106 2HH1 ARG 106 10.598 7.250 -9.353 834 H GLU 107 H GLU 107 11.285 2.984 -6.252 835 HA GLU 107 HA GLU 107 9.770 5.081 -7.464 836 HB2 GLU 107 2HB GLU 107 8.901 2.357 -6.427 837 HB3 GLU 107 3HB GLU 107 7.921 3.421 -7.421 838 HG2 GLU 107 2HG GLU 107 10.439 1.959 -8.221 839 HG3 GLU 107 3HG GLU 107 8.826 1.845 -8.903 840 H LEU 108 H LEU 108 9.798 4.016 -4.070 841 HA LEU 108 HA LEU 108 7.772 6.104 -3.447 842 HB2 LEU 108 2HB LEU 108 9.273 4.206 -1.622 843 HB3 LEU 108 3HB LEU 108 7.981 5.310 -1.139 844 HG LEU 108 HG LEU 108 7.717 2.996 -3.104 845 HD11 LEU 108 1HD1 LEU 108 6.647 3.367 -0.277 846 HD12 LEU 108 2HD1 LEU 108 7.937 2.260 -0.803 847 HD13 LEU 108 3HD1 LEU 108 6.283 1.996 -1.356 848 HD21 LEU 108 3HD2 LEU 108 5.269 3.415 -2.928 849 HD22 LEU 108 1HD2 LEU 108 6.126 4.714 -3.752 850 HD23 LEU 108 2HD2 LEU 108 5.623 4.931 -2.056 851 H SER 109 H SER 109 11.259 5.889 -3.480 852 HA SER 109 HA SER 109 11.812 8.150 -1.859 853 HB2 SER 109 2HB SER 109 13.419 7.023 -4.155 854 HB3 SER 109 3HB SER 109 13.903 8.459 -3.244 855 HG SER 109 HG SER 109 13.418 5.878 -2.255 856 H ASP 110 H ASP 110 10.602 7.841 -5.176 857 HA ASP 110 HA ASP 110 10.672 10.523 -6.105 858 HB2 ASP 110 2HB ASP 110 8.442 8.458 -6.118 859 HB3 ASP 110 3HB ASP 110 8.192 10.058 -6.791 860 H VAL 111 H VAL 111 8.950 9.358 -3.241 861 HA VAL 111 HA VAL 111 7.975 12.127 -2.731 862 HB VAL 111 HB VAL 111 6.399 9.990 -3.097 863 HG11 VAL 111 1HG1 VAL 111 5.443 9.217 -0.990 864 HG12 VAL 111 2HG1 VAL 111 7.143 8.754 -1.083 865 HG13 VAL 111 3HG1 VAL 111 6.641 10.118 -0.060 866 HG21 VAL 111 3HG2 VAL 111 5.677 12.332 -2.925 867 HG22 VAL 111 1HG2 VAL 111 4.623 11.277 -1.972 868 HG23 VAL 111 2HG2 VAL 111 5.848 12.272 -1.154 869 H VAL 112 H VAL 112 9.804 9.451 -1.360 870 HA VAL 112 HA VAL 112 10.628 11.281 0.870 871 HB VAL 112 HB VAL 112 9.398 9.478 1.775 872 HG11 VAL 112 1HG1 VAL 112 10.142 7.153 1.835 873 HG12 VAL 112 2HG1 VAL 112 9.628 7.654 0.232 874 HG13 VAL 112 3HG1 VAL 112 11.360 7.491 0.593 875 HG21 VAL 112 3HG2 VAL 112 12.318 9.073 2.467 876 HG22 VAL 112 1HG2 VAL 112 11.318 10.441 3.014 877 HG23 VAL 112 2HG2 VAL 112 10.901 8.791 3.491 878 HA PRO 113 HA PRO 113 14.313 10.908 -1.844 879 HB2 PRO 113 2HB PRO 113 14.628 13.727 -0.823 880 HB3 PRO 113 3HB PRO 113 14.961 13.073 -2.457 881 HG2 PRO 113 2HG PRO 113 12.705 14.490 -1.999 882 HG3 PRO 113 3HG PRO 113 12.622 12.979 -2.968 883 HD2 PRO 113 2HD PRO 113 11.981 13.357 -0.024 884 HD3 PRO 113 3HD PRO 113 11.049 12.531 -1.306 885 H ASN 114 H ASN 114 13.837 11.238 1.497 886 HA ASN 114 HA ASN 114 16.429 11.827 2.481 887 HB2 ASN 114 2HB ASN 114 14.305 11.981 3.747 888 HB3 ASN 114 3HB ASN 114 14.156 10.227 3.737 889 HD21 ASN 114 2HD2 ASN 114 16.228 12.925 4.911 890 HD22 ASN 114 1HD2 ASN 114 16.846 12.009 6.278 891 H LEU 115 H LEU 115 15.573 8.987 0.780 892 HA LEU 115 HA LEU 115 17.471 7.119 1.886 893 HB2 LEU 115 2HB LEU 115 15.706 6.499 0.274 894 HB3 LEU 115 3HB LEU 115 16.419 7.559 -0.941 895 HG LEU 115 HG LEU 115 18.446 6.124 -1.031 896 HD11 LEU 115 1HD1 LEU 115 18.379 3.869 0.030 897 HD12 LEU 115 2HD1 LEU 115 16.912 4.342 0.915 898 HD13 LEU 115 3HD1 LEU 115 18.457 5.160 1.230 899 HD21 LEU 115 3HD2 LEU 115 16.554 5.714 -2.557 900 HD22 LEU 115 1HD2 LEU 115 15.884 4.545 -1.403 901 HD23 LEU 115 2HD2 LEU 115 17.451 4.234 -2.177 902 H ASN 116 H ASN 116 17.835 9.991 -0.142 903 HA ASN 116 HA ASN 116 20.789 9.751 -0.103 904 HB2 ASN 116 2HB ASN 116 20.857 10.304 -2.559 905 HB3 ASN 116 3HB ASN 116 20.283 8.692 -2.170 906 HD21 ASN 116 1HD2 ASN 116 18.876 11.936 -2.623 907 HD22 ASN 116 2HD2 ASN 116 17.549 11.390 -3.674 Start of MODEL 4 1 H1 MET 1 1H MET 1 9.548 -10.064 8.381 2 H2 MET 1 2H MET 1 11.088 -9.582 8.089 3 HA MET 1 HA MET 1 10.999 -10.928 10.070 4 HB2 MET 1 2HB MET 1 11.627 -8.005 10.658 5 HB3 MET 1 3HB MET 1 12.034 -9.366 11.700 6 HG2 MET 1 2HG MET 1 13.067 -8.840 8.895 7 HG3 MET 1 3HG MET 1 13.969 -8.728 10.395 8 HE1 MET 1 3HE MET 1 14.571 -12.434 11.425 9 HE2 MET 1 1HE MET 1 14.929 -10.726 11.753 10 HE3 MET 1 2HE MET 1 13.293 -11.367 12.039 11 H THR 2 H THR 2 9.425 -7.817 11.065 12 HA THR 2 HA THR 2 7.034 -9.122 11.967 13 HB THR 2 HB THR 2 8.532 -9.878 13.795 14 HG1 THR 2 HG1 THR 2 7.120 -9.317 15.376 15 HG21 THR 2 3HG2 THR 2 8.720 -6.951 14.626 16 HG22 THR 2 1HG2 THR 2 10.060 -7.885 13.917 17 HG23 THR 2 2HG2 THR 2 9.375 -8.363 15.476 18 H ASP 3 H ASP 3 5.482 -7.632 12.804 19 HA ASP 3 HA ASP 3 5.892 -4.803 12.013 20 HB2 ASP 3 2HB ASP 3 3.446 -6.288 13.059 21 HB3 ASP 3 3HB ASP 3 3.471 -4.620 12.501 22 H SER 4 H SER 4 5.642 -6.786 14.913 23 HA SER 4 HA SER 4 4.346 -5.025 16.607 24 HB2 SER 4 2HB SER 4 6.284 -7.247 17.340 25 HB3 SER 4 3HB SER 4 5.119 -6.483 18.442 26 HG SER 4 HG SER 4 4.302 -8.426 17.500 27 H GLU 5 H GLU 5 4.822 -3.234 17.598 28 HA GLU 5 HA GLU 5 5.894 -1.391 18.339 29 HB2 GLU 5 2HB GLU 5 7.787 -3.389 19.615 30 HB3 GLU 5 3HB GLU 5 7.574 -1.702 20.081 31 HG2 GLU 5 2HG GLU 5 5.212 -2.168 20.587 32 HG3 GLU 5 3HG GLU 5 5.505 -3.875 20.260 33 H LYS 6 H LYS 6 6.744 -2.367 15.691 34 HA LYS 6 HA LYS 6 9.423 -1.057 15.411 35 HB2 LYS 6 2HB LYS 6 9.728 -3.440 15.542 36 HB3 LYS 6 3HB LYS 6 8.424 -3.727 14.388 37 HG2 LYS 6 2HG LYS 6 9.736 -2.699 12.594 38 HG3 LYS 6 3HG LYS 6 11.065 -2.359 13.715 39 HD2 LYS 6 2HD LYS 6 11.619 -4.628 13.969 40 HD3 LYS 6 3HD LYS 6 10.028 -5.195 13.480 41 HE2 LYS 6 2HE LYS 6 12.104 -3.990 11.600 42 HE3 LYS 6 3HE LYS 6 11.738 -5.707 11.804 43 HZ1 LYS 6 3HZ LYS 6 9.330 -4.934 11.243 44 HZ2 LYS 6 1HZ LYS 6 10.368 -5.202 10.036 45 HZ3 LYS 6 2HZ LYS 6 10.069 -3.647 10.537 46 H SER 7 H SER 7 6.797 -2.291 13.482 47 HA SER 7 HA SER 7 7.516 -0.460 11.278 48 HB2 SER 7 2HB SER 7 5.523 -2.739 11.304 49 HB3 SER 7 3HB SER 7 6.127 -1.862 9.885 50 HG SER 7 HG SER 7 8.250 -2.532 10.494 51 H ALA 8 H ALA 8 6.306 1.200 10.436 52 HA ALA 8 HA ALA 8 3.889 1.975 11.837 53 HB1 ALA 8 3HB ALA 8 3.960 3.987 10.507 54 HB2 ALA 8 1HB ALA 8 5.564 3.638 11.176 55 HB3 ALA 8 2HB ALA 8 5.214 3.307 9.460 56 H THR 9 H THR 9 3.092 -0.324 11.086 57 HA THR 9 HA THR 9 1.773 -0.229 8.434 58 HB THR 9 HB THR 9 1.441 -2.712 8.812 59 HG1 THR 9 HG1 THR 9 3.052 -3.606 10.187 60 HG21 THR 9 3HG2 THR 9 4.314 -1.779 8.606 61 HG22 THR 9 1HG2 THR 9 3.145 -1.699 7.268 62 HG23 THR 9 2HG2 THR 9 3.613 -3.266 7.947 63 H ILE 10 H ILE 10 -0.337 -0.567 8.112 64 HA ILE 10 HA ILE 10 -2.175 -1.304 10.319 65 HB ILE 10 HB ILE 10 -3.779 0.450 9.676 66 HG12 ILE 10 2HG1 ILE 10 -1.537 1.704 8.031 67 HG13 ILE 10 3HG1 ILE 10 -2.950 0.880 7.372 68 HG21 ILE 10 1HG2 ILE 10 -1.161 1.719 10.552 69 HG22 ILE 10 2HG2 ILE 10 -2.811 2.250 10.933 70 HG23 ILE 10 3HG2 ILE 10 -2.205 0.736 11.605 71 HD11 ILE 10 3HD1 ILE 10 -4.431 2.567 8.465 72 HD12 ILE 10 1HD1 ILE 10 -2.977 3.461 8.972 73 HD13 ILE 10 2HD1 ILE 10 -3.329 3.247 7.251 74 H LYS 11 H LYS 11 -4.271 -2.021 9.585 75 HA LYS 11 HA LYS 11 -4.389 -2.831 6.705 76 HB2 LYS 11 2HB LYS 11 -4.613 -4.675 8.384 77 HB3 LYS 11 3HB LYS 11 -6.089 -3.898 8.987 78 HG2 LYS 11 2HG LYS 11 -7.113 -4.101 6.727 79 HG3 LYS 11 3HG LYS 11 -5.607 -4.814 6.115 80 HD2 LYS 11 2HD LYS 11 -5.880 -6.721 7.668 81 HD3 LYS 11 3HD LYS 11 -7.414 -6.021 8.245 82 HE2 LYS 11 2HE LYS 11 -8.308 -6.073 5.918 83 HE3 LYS 11 3HE LYS 11 -6.777 -6.740 5.342 84 HZ1 LYS 11 3HZ LYS 11 -8.384 -8.481 5.628 85 HZ2 LYS 11 1HZ LYS 11 -8.647 -8.097 7.203 86 HZ3 LYS 11 2HZ LYS 11 -7.200 -8.706 6.737 87 H VAL 12 H VAL 12 -6.019 -2.062 5.424 88 HA VAL 12 HA VAL 12 -8.041 -0.212 6.630 89 HB VAL 12 HB VAL 12 -7.815 1.337 4.759 90 HG11 VAL 12 1HG1 VAL 12 -6.634 1.741 6.895 91 HG12 VAL 12 2HG1 VAL 12 -5.185 0.953 6.245 92 HG13 VAL 12 3HG1 VAL 12 -5.784 2.452 5.513 93 HG21 VAL 12 3HG2 VAL 12 -5.331 -0.252 3.970 94 HG22 VAL 12 1HG2 VAL 12 -6.815 -0.074 3.016 95 HG23 VAL 12 2HG2 VAL 12 -5.797 1.334 3.324 96 H THR 13 H THR 13 -10.038 -0.137 5.668 97 HA THR 13 HA THR 13 -10.586 -1.778 3.265 98 HB THR 13 HB THR 13 -12.599 -2.750 4.305 99 HG1 THR 13 HG1 THR 13 -12.726 -2.738 6.580 100 HG21 THR 13 3HG2 THR 13 -10.101 -3.520 5.865 101 HG22 THR 13 1HG2 THR 13 -10.486 -4.072 4.221 102 HG23 THR 13 2HG2 THR 13 -11.541 -4.517 5.572 103 H ASP 14 H ASP 14 -12.611 -1.296 2.276 104 HA ASP 14 HA ASP 14 -13.042 1.323 1.696 105 HB2 ASP 14 2HB ASP 14 -13.751 -0.603 0.368 106 HB3 ASP 14 3HB ASP 14 -15.007 -1.001 1.526 107 H ALA 15 H ALA 15 -14.590 -0.305 4.430 108 HA ALA 15 HA ALA 15 -16.669 1.616 4.913 109 HB1 ALA 15 3HB ALA 15 -16.679 -0.700 5.763 110 HB2 ALA 15 1HB ALA 15 -15.267 -0.339 6.787 111 HB3 ALA 15 2HB ALA 15 -16.820 0.468 7.089 112 H SER 16 H SER 16 -13.237 1.758 5.611 113 HA SER 16 HA SER 16 -13.576 4.284 7.179 114 HB2 SER 16 2HB SER 16 -11.694 1.991 7.852 115 HB3 SER 16 3HB SER 16 -11.784 3.554 8.690 116 HG SER 16 HG SER 16 -12.973 1.915 9.774 117 H PHE 17 H PHE 17 -12.307 2.998 4.417 118 HA PHE 17 HA PHE 17 -9.621 3.548 4.304 119 HB2 PHE 17 2HB PHE 17 -11.122 2.389 2.621 120 HB3 PHE 17 3HB PHE 17 -11.617 3.962 2.035 121 HD1 PHE 17 HD2 PHE 17 -9.791 5.511 1.020 122 HD2 PHE 17 HD1 PHE 17 -9.160 1.328 1.884 123 HE1 PHE 17 HE2 PHE 17 -7.863 5.473 -0.543 124 HE2 PHE 17 HE1 PHE 17 -7.281 1.284 0.272 125 HZ PHE 17 HZ PHE 17 -6.629 3.359 -0.939 126 H ALA 18 H ALA 18 -12.256 5.902 3.592 127 HA ALA 18 HA ALA 18 -10.471 7.980 2.819 128 HB1 ALA 18 3HB ALA 18 -12.443 9.441 3.017 129 HB2 ALA 18 1HB ALA 18 -12.841 7.931 2.179 130 HB3 ALA 18 2HB ALA 18 -13.322 8.159 3.881 131 H THR 19 H THR 19 -11.594 6.988 6.038 132 HA THR 19 HA THR 19 -10.542 9.393 7.357 133 HB THR 19 HB THR 19 -11.332 6.735 8.617 134 HG1 THR 19 HG1 THR 19 -13.370 7.673 8.854 135 HG21 THR 19 3HG2 THR 19 -11.925 8.175 10.565 136 HG22 THR 19 1HG2 THR 19 -11.280 9.590 9.700 137 HG23 THR 19 2HG2 THR 19 -10.203 8.262 10.183 138 H ASP 20 H ASP 20 -9.366 6.109 6.660 139 HA ASP 20 HA ASP 20 -7.004 6.462 8.391 140 HB2 ASP 20 2HB ASP 20 -7.859 4.229 6.512 141 HB3 ASP 20 3HB ASP 20 -6.410 4.191 7.517 142 H VAL 21 H VAL 21 -7.616 6.357 4.888 143 HA VAL 21 HA VAL 21 -4.729 6.692 4.302 144 HB VAL 21 HB VAL 21 -7.021 6.099 2.401 145 HG11 VAL 21 1HG1 VAL 21 -4.985 6.962 1.287 146 HG12 VAL 21 2HG1 VAL 21 -4.022 5.700 2.084 147 HG13 VAL 21 3HG1 VAL 21 -5.283 5.271 0.911 148 HG21 VAL 21 3HG2 VAL 21 -6.245 3.746 2.473 149 HG22 VAL 21 1HG2 VAL 21 -5.104 4.159 3.773 150 HG23 VAL 21 2HG2 VAL 21 -6.862 4.255 4.036 151 H LEU 22 H LEU 22 -7.833 8.367 3.719 152 HA LEU 22 HA LEU 22 -6.399 10.412 2.125 153 HB2 LEU 22 2HB LEU 22 -9.389 10.079 2.408 154 HB3 LEU 22 3HB LEU 22 -8.520 11.023 1.213 155 HG LEU 22 HG LEU 22 -8.539 7.980 1.416 156 HD11 LEU 22 1HD1 LEU 22 -10.650 8.962 0.597 157 HD12 LEU 22 2HD1 LEU 22 -9.797 8.070 -0.673 158 HD13 LEU 22 3HD1 LEU 22 -9.751 9.847 -0.653 159 HD21 LEU 22 3HD2 LEU 22 -7.352 7.947 -0.705 160 HD22 LEU 22 1HD2 LEU 22 -6.370 8.796 0.488 161 HD23 LEU 22 2HD2 LEU 22 -7.275 9.717 -0.737 162 H SER 23 H SER 23 -7.857 10.184 5.260 163 HA SER 23 HA SER 23 -8.049 13.110 5.579 164 HB2 SER 23 2HB SER 23 -8.777 10.922 7.514 165 HB3 SER 23 3HB SER 23 -9.059 12.653 7.736 166 HG SER 23 HG SER 23 -10.101 11.018 5.649 167 H SER 24 H SER 24 -5.408 11.327 5.551 168 HA SER 24 HA SER 24 -4.155 11.601 8.090 169 HB2 SER 24 2HB SER 24 -2.199 10.824 6.806 170 HB3 SER 24 3HB SER 24 -3.637 9.845 6.497 171 HG SER 24 HG SER 24 -2.130 11.147 4.750 172 H ASN 25 H ASN 25 -2.276 12.807 8.626 173 HA ASN 25 HA ASN 25 -2.093 15.537 7.492 174 HB2 ASN 25 2HB ASN 25 -0.808 14.177 9.899 175 HB3 ASN 25 3HB ASN 25 -0.492 15.841 9.425 176 HD21 ASN 25 1HD2 ASN 25 -1.423 15.374 11.946 177 HD22 ASN 25 2HD2 ASN 25 -3.077 15.963 12.053 178 H LYS 26 H LYS 26 -0.699 12.623 6.712 179 HA LYS 26 HA LYS 26 1.567 13.827 5.255 180 HB2 LYS 26 2HB LYS 26 3.144 12.118 6.056 181 HB3 LYS 26 3HB LYS 26 2.542 13.074 7.403 182 HG2 LYS 26 2HG LYS 26 1.006 11.284 8.057 183 HG3 LYS 26 3HG LYS 26 1.433 10.337 6.624 184 HD2 LYS 26 2HD LYS 26 3.741 10.073 7.434 185 HD3 LYS 26 3HD LYS 26 3.358 11.046 8.882 186 HE2 LYS 26 2HE LYS 26 1.596 9.454 9.523 187 HE3 LYS 26 3HE LYS 26 1.842 8.540 8.035 188 HZ1 LYS 26 3HZ LYS 26 4.051 7.915 8.827 189 HZ2 LYS 26 1HZ LYS 26 2.905 7.466 9.877 190 HZ3 LYS 26 2HZ LYS 26 3.857 8.766 10.214 191 HA PRO 27 HA PRO 27 0.402 10.988 2.027 192 HB2 PRO 27 2HB PRO 27 3.232 9.951 2.048 193 HB3 PRO 27 3HB PRO 27 2.246 10.408 0.641 194 HG2 PRO 27 2HG PRO 27 4.125 12.110 1.569 195 HG3 PRO 27 3HG PRO 27 2.497 12.758 1.181 196 HD2 PRO 27 2HD PRO 27 3.613 12.005 3.881 197 HD3 PRO 27 3HD PRO 27 2.695 13.466 3.405 198 H VAL 28 H VAL 28 -0.236 8.829 1.669 199 HA VAL 28 HA VAL 28 0.575 6.738 3.629 200 HB VAL 28 HB VAL 28 -2.322 7.284 2.905 201 HG11 VAL 28 1HG1 VAL 28 -2.777 5.515 4.619 202 HG12 VAL 28 2HG1 VAL 28 -1.898 4.872 3.232 203 HG13 VAL 28 3HG1 VAL 28 -1.037 5.210 4.749 204 HG21 VAL 28 3HG2 VAL 28 -2.594 7.764 5.331 205 HG22 VAL 28 1HG2 VAL 28 -0.828 7.672 5.533 206 HG23 VAL 28 2HG2 VAL 28 -1.553 8.935 4.525 207 H LEU 29 H LEU 29 1.036 4.895 2.769 208 HA LEU 29 HA LEU 29 0.652 4.397 -0.146 209 HB2 LEU 29 2HB LEU 29 2.922 4.454 1.145 210 HB3 LEU 29 3HB LEU 29 2.407 2.945 1.865 211 HG LEU 29 HG LEU 29 3.033 3.521 -1.055 212 HD11 LEU 29 1HD1 LEU 29 4.224 1.633 1.025 213 HD12 LEU 29 2HD1 LEU 29 4.920 3.181 0.504 214 HD13 LEU 29 3HD1 LEU 29 4.789 1.832 -0.641 215 HD21 LEU 29 3HD2 LEU 29 1.245 1.899 -1.209 216 HD22 LEU 29 1HD2 LEU 29 1.900 0.956 0.158 217 HD23 LEU 29 2HD2 LEU 29 2.747 1.026 -1.398 218 H VAL 30 H VAL 30 -0.842 2.822 -0.752 219 HA VAL 30 HA VAL 30 -1.672 0.817 1.310 220 HB VAL 30 HB VAL 30 -3.481 1.688 -0.942 221 HG11 VAL 30 1HG1 VAL 30 -5.172 0.534 0.464 222 HG12 VAL 30 2HG1 VAL 30 -3.889 -0.568 -0.015 223 HG13 VAL 30 3HG1 VAL 30 -3.912 0.100 1.633 224 HG21 VAL 30 3HG2 VAL 30 -4.809 2.881 0.756 225 HG22 VAL 30 1HG2 VAL 30 -3.523 2.637 1.950 226 HG23 VAL 30 2HG2 VAL 30 -3.234 3.638 0.511 227 H ASP 31 H ASP 31 -1.108 -1.154 0.897 228 HA ASP 31 HA ASP 31 -0.482 -2.050 -1.880 229 HB2 ASP 31 2HB ASP 31 1.401 -2.208 -0.497 230 HB3 ASP 31 3HB ASP 31 0.511 -2.885 0.853 231 H PHE 32 H PHE 32 -1.988 -3.084 -2.855 232 HA PHE 32 HA PHE 32 -4.068 -4.723 -1.501 233 HB2 PHE 32 2HB PHE 32 -3.769 -3.818 -4.385 234 HB3 PHE 32 3HB PHE 32 -5.116 -4.719 -3.712 235 HD1 PHE 32 HD1 PHE 32 -3.320 -1.425 -3.571 236 HD2 PHE 32 HD2 PHE 32 -6.932 -3.576 -2.629 237 HE1 PHE 32 HE1 PHE 32 -4.430 0.693 -2.958 238 HE2 PHE 32 HE2 PHE 32 -8.032 -1.445 -2.020 239 HZ PHE 32 HZ PHE 32 -6.781 0.707 -2.187 240 H TRP 33 H TRP 33 -3.468 -6.722 -1.108 241 HA TRP 33 HA TRP 33 -1.609 -8.206 -2.908 242 HB2 TRP 33 2HB TRP 33 -0.048 -8.528 -1.178 243 HB3 TRP 33 3HB TRP 33 -0.430 -6.830 -1.108 244 HD1 TRP 33 HD1 TRP 33 -2.445 -6.263 0.819 245 HE1 TRP 33 HE1 TRP 33 -2.836 -7.263 3.155 246 HE3 TRP 33 HE3 TRP 33 0.739 -10.260 0.536 247 HZ2 TRP 33 HZ2 TRP 33 -1.921 -9.525 4.677 248 HZ3 TRP 33 HZ3 TRP 33 0.996 -11.790 2.456 249 HH2 TRP 33 HH2 TRP 33 -0.381 -11.480 4.499 250 H ALA 34 H ALA 34 -1.212 -10.511 -1.741 251 HA ALA 34 HA ALA 34 -3.502 -11.316 -0.092 252 HB1 ALA 34 3HB ALA 34 -2.779 -12.833 -2.640 253 HB2 ALA 34 1HB ALA 34 -3.959 -13.325 -1.411 254 HB3 ALA 34 2HB ALA 34 -4.253 -11.881 -2.387 255 H THR 35 H THR 35 -3.067 -12.685 1.438 256 HA THR 35 HA THR 35 -0.511 -13.570 2.233 257 HB THR 35 HB THR 35 -3.196 -14.890 2.812 258 HG1 THR 35 HG1 THR 35 -3.275 -12.708 3.324 259 HG21 THR 35 3HG2 THR 35 -0.588 -14.837 4.396 260 HG22 THR 35 1HG2 THR 35 -1.365 -16.266 3.672 261 HG23 THR 35 2HG2 THR 35 -2.145 -15.430 5.017 262 H TRP 36 H TRP 36 -2.761 -15.078 -0.021 263 HA TRP 36 HA TRP 36 -1.264 -17.594 -0.175 264 HB2 TRP 36 2HB TRP 36 -3.122 -18.179 -1.766 265 HB3 TRP 36 3HB TRP 36 -3.575 -17.819 -0.120 266 HD1 TRP 36 HD1 TRP 36 -5.403 -16.082 0.281 267 HE1 TRP 36 HE1 TRP 36 -6.864 -14.596 -1.176 268 HE3 TRP 36 HE3 TRP 36 -2.810 -16.444 -4.147 269 HZ2 TRP 36 HZ2 TRP 36 -6.984 -13.729 -3.905 270 HZ3 TRP 36 HZ3 TRP 36 -3.567 -15.131 -6.117 271 HH2 TRP 36 HH2 TRP 36 -5.697 -13.860 -6.038 272 H CYS 37 H CYS 37 -0.552 -14.669 -1.582 273 HA CYS 37 HA CYS 37 0.117 -15.846 -4.247 274 HB2 CYS 37 2HB CYS 37 -1.538 -14.063 -4.244 275 HB3 CYS 37 3HB CYS 37 -0.422 -12.990 -3.400 276 HG CYS 37 HG CYS 37 -0.168 -14.401 -6.402 277 H GLY 38 H GLY 38 2.128 -15.937 -5.007 278 HA2 GLY 38 2HA GLY 38 4.377 -15.814 -3.304 279 HA3 GLY 38 3HA GLY 38 4.413 -16.008 -5.050 280 HA PRO 39 HA PRO 39 6.034 -11.869 -5.489 281 HB2 PRO 39 2HB PRO 39 4.333 -10.323 -7.032 282 HB3 PRO 39 3HB PRO 39 5.431 -11.583 -7.657 283 HG2 PRO 39 2HG PRO 39 2.486 -11.853 -6.994 284 HG3 PRO 39 3HG PRO 39 3.345 -12.399 -8.468 285 HD2 PRO 39 2HD PRO 39 2.807 -14.133 -6.485 286 HD3 PRO 39 3HD PRO 39 4.391 -14.188 -7.302 287 H CYS 40 H CYS 40 2.671 -11.923 -4.308 288 HA CYS 40 HA CYS 40 2.768 -9.390 -2.906 289 HB2 CYS 40 2HB CYS 40 1.187 -11.941 -2.378 290 HB3 CYS 40 3HB CYS 40 0.966 -10.420 -1.530 291 HG CYS 40 HG CYS 40 0.670 -11.023 -4.778 292 H LYS 41 H LYS 41 3.599 -12.751 -1.916 293 HA LYS 41 HA LYS 41 4.578 -12.073 0.689 294 HB2 LYS 41 2HB LYS 41 3.994 -14.403 -0.480 295 HB3 LYS 41 3HB LYS 41 5.671 -14.367 -0.976 296 HG2 LYS 41 2HG LYS 41 5.464 -15.678 1.029 297 HG3 LYS 41 3HG LYS 41 6.385 -14.229 1.398 298 HD2 LYS 41 2HD LYS 41 4.759 -14.835 3.187 299 HD3 LYS 41 3HD LYS 41 4.504 -13.224 2.549 300 HE2 LYS 41 2HE LYS 41 2.348 -14.202 2.825 301 HE3 LYS 41 3HE LYS 41 2.652 -14.117 1.089 302 HZ1 LYS 41 3HZ LYS 41 1.721 -16.248 1.722 303 HZ2 LYS 41 1HZ LYS 41 2.942 -16.555 2.770 304 HZ3 LYS 41 2HZ LYS 41 3.239 -16.496 1.160 305 H MET 42 H MET 42 6.153 -11.998 -2.465 306 HA MET 42 HA MET 42 8.813 -11.522 -1.492 307 HB2 MET 42 2HB MET 42 8.203 -12.408 -3.752 308 HB3 MET 42 3HB MET 42 7.610 -10.802 -4.191 309 HG2 MET 42 2HG MET 42 9.821 -11.130 -5.085 310 HG3 MET 42 3HG MET 42 9.860 -9.860 -3.869 311 HE1 MET 42 3HE MET 42 12.473 -9.917 -3.765 312 HE2 MET 42 1HE MET 42 13.431 -11.401 -3.567 313 HE3 MET 42 2HE MET 42 12.469 -11.159 -5.041 314 H VAL 43 H VAL 43 6.217 -9.207 -2.455 315 HA VAL 43 HA VAL 43 7.990 -6.933 -1.905 316 HB VAL 43 HB VAL 43 6.310 -6.995 -3.747 317 HG11 VAL 43 1HG1 VAL 43 4.291 -6.336 -1.564 318 HG12 VAL 43 2HG1 VAL 43 4.021 -6.303 -3.315 319 HG13 VAL 43 3HG1 VAL 43 4.353 -7.839 -2.507 320 HG21 VAL 43 3HG2 VAL 43 7.456 -4.930 -3.010 321 HG22 VAL 43 1HG2 VAL 43 5.833 -4.635 -3.653 322 HG23 VAL 43 2HG2 VAL 43 6.108 -4.594 -1.903 323 H ALA 44 H ALA 44 5.704 -8.744 0.019 324 HA ALA 44 HA ALA 44 5.033 -6.907 2.001 325 HB1 ALA 44 3HB ALA 44 4.093 -9.151 1.840 326 HB2 ALA 44 1HB ALA 44 5.647 -9.877 2.286 327 HB3 ALA 44 2HB ALA 44 4.762 -8.882 3.460 328 HA PRO 45 HA PRO 45 8.983 -7.537 4.604 329 HB2 PRO 45 2HB PRO 45 11.316 -8.446 3.469 330 HB3 PRO 45 3HB PRO 45 10.098 -9.511 4.233 331 HG2 PRO 45 2HG PRO 45 10.396 -8.850 1.283 332 HG3 PRO 45 3HG PRO 45 10.234 -10.468 2.044 333 HD2 PRO 45 2HD PRO 45 8.091 -9.229 1.003 334 HD3 PRO 45 3HD PRO 45 7.950 -10.100 2.555 335 H VAL 46 H VAL 46 9.353 -6.588 1.190 336 HA VAL 46 HA VAL 46 11.235 -4.424 1.648 337 HB VAL 46 HB VAL 46 9.289 -5.043 -0.605 338 HG11 VAL 46 1HG1 VAL 46 11.100 -2.654 -0.262 339 HG12 VAL 46 2HG1 VAL 46 10.574 -3.254 -1.864 340 HG13 VAL 46 3HG1 VAL 46 9.386 -2.702 -0.676 341 HG21 VAL 46 3HG2 VAL 46 11.346 -5.498 -1.854 342 HG22 VAL 46 1HG2 VAL 46 12.323 -5.099 -0.418 343 HG23 VAL 46 2HG2 VAL 46 11.252 -6.516 -0.415 344 H LEU 47 H LEU 47 7.653 -4.518 1.369 345 HA LEU 47 HA LEU 47 7.235 -1.769 2.090 346 HB2 LEU 47 2HB LEU 47 5.554 -4.285 2.086 347 HB3 LEU 47 3HB LEU 47 4.905 -2.786 2.743 348 HG LEU 47 HG LEU 47 5.999 -2.985 -0.091 349 HD11 LEU 47 1HD1 LEU 47 4.122 -4.525 0.191 350 HD12 LEU 47 2HD1 LEU 47 3.649 -3.129 -0.783 351 HD13 LEU 47 3HD1 LEU 47 3.154 -3.229 0.927 352 HD21 LEU 47 3HD2 LEU 47 4.212 -0.947 1.315 353 HD22 LEU 47 1HD2 LEU 47 4.615 -0.938 -0.408 354 HD23 LEU 47 2HD2 LEU 47 5.886 -0.671 0.783 355 H GLU 48 H GLU 48 7.563 -4.699 4.143 356 HA GLU 48 HA GLU 48 6.912 -3.439 6.621 357 HB2 GLU 48 2HB GLU 48 7.207 -5.937 6.140 358 HB3 GLU 48 3HB GLU 48 8.951 -5.656 6.217 359 HG2 GLU 48 2HG GLU 48 8.461 -4.612 8.555 360 HG3 GLU 48 3HG GLU 48 6.877 -5.380 8.409 361 H GLU 49 H GLU 49 10.123 -3.775 4.970 362 HA GLU 49 HA GLU 49 11.600 -2.260 6.925 363 HB2 GLU 49 2HB GLU 49 12.044 -2.796 3.963 364 HB3 GLU 49 3HB GLU 49 13.099 -1.752 4.919 365 HG2 GLU 49 2HG GLU 49 13.548 -3.607 6.493 366 HG3 GLU 49 3HG GLU 49 12.527 -4.676 5.526 367 H ILE 50 H ILE 50 9.904 -1.187 3.924 368 HA ILE 50 HA ILE 50 10.541 1.592 4.190 369 HB ILE 50 HB ILE 50 8.235 0.092 2.911 370 HG12 ILE 50 2HG1 ILE 50 10.464 1.636 1.525 371 HG13 ILE 50 3HG1 ILE 50 10.728 -0.014 2.065 372 HG21 ILE 50 1HG2 ILE 50 7.563 2.096 1.732 373 HG22 ILE 50 2HG2 ILE 50 7.425 2.398 3.440 374 HG23 ILE 50 3HG2 ILE 50 8.812 3.065 2.553 375 HD11 ILE 50 3HD1 ILE 50 10.086 0.045 -0.292 376 HD12 ILE 50 1HD1 ILE 50 8.892 -0.842 0.679 377 HD13 ILE 50 2HD1 ILE 50 8.534 0.790 0.130 378 H ALA 51 H ALA 51 7.743 -0.252 5.517 379 HA ALA 51 HA ALA 51 6.456 1.933 6.805 380 HB1 ALA 51 3HB ALA 51 5.569 -0.423 6.363 381 HB2 ALA 51 1HB ALA 51 6.563 -0.984 7.705 382 HB3 ALA 51 2HB ALA 51 5.273 0.205 8.000 383 H THR 52 H THR 52 9.042 -0.213 7.883 384 HA THR 52 HA THR 52 9.095 0.745 10.637 385 HB THR 52 HB THR 52 11.267 -0.708 9.038 386 HG1 THR 52 HG1 THR 52 9.473 -1.933 9.022 387 HG21 THR 52 3HG2 THR 52 12.210 0.148 11.106 388 HG22 THR 52 1HG2 THR 52 11.966 -1.596 11.250 389 HG23 THR 52 2HG2 THR 52 10.830 -0.473 12.035 390 H GLU 53 H GLU 53 11.126 1.400 7.756 391 HA GLU 53 HA GLU 53 12.858 3.221 9.239 392 HB2 GLU 53 2HB GLU 53 12.810 2.378 6.314 393 HB3 GLU 53 3HB GLU 53 14.062 3.351 7.082 394 HG2 GLU 53 2HG GLU 53 14.303 1.414 8.786 395 HG3 GLU 53 3HG GLU 53 13.370 0.443 7.679 396 H ARG 54 H ARG 54 10.281 3.649 6.804 397 HA ARG 54 HA ARG 54 10.746 6.595 6.860 398 HB2 ARG 54 2HB ARG 54 8.921 5.154 4.927 399 HB3 ARG 54 3HB ARG 54 9.534 6.788 4.844 400 HG2 ARG 54 2HG ARG 54 10.894 4.227 4.113 401 HG3 ARG 54 3HG ARG 54 10.697 5.704 3.192 402 HD2 ARG 54 2HD ARG 54 12.756 4.979 5.246 403 HD3 ARG 54 3HD ARG 54 12.979 5.640 3.627 404 HE ARG 54 HE ARG 54 11.695 7.662 5.160 405 HH11 ARG 54 2HH1 ARG 54 14.852 6.187 5.099 406 HH12 ARG 54 1HH1 ARG 54 15.483 7.328 6.261 407 HH21 ARG 54 1HH2 ARG 54 12.522 9.033 6.494 408 HH22 ARG 54 2HH2 ARG 54 14.197 8.908 7.058 409 H ALA 55 H ALA 55 9.457 5.084 9.043 410 HA ALA 55 HA ALA 55 6.702 5.484 9.226 411 HB1 ALA 55 3HB ALA 55 8.085 4.208 10.825 412 HB2 ALA 55 1HB ALA 55 8.851 5.710 11.387 413 HB3 ALA 55 2HB ALA 55 7.124 5.432 11.676 414 H THR 56 H THR 56 9.223 7.964 9.540 415 HA THR 56 HA THR 56 7.406 10.035 10.548 416 HB THR 56 HB THR 56 9.435 11.501 10.159 417 HG1 THR 56 HG1 THR 56 11.368 10.394 9.776 418 HG21 THR 56 3HG2 THR 56 8.963 10.451 12.360 419 HG22 THR 56 1HG2 THR 56 10.700 10.589 12.046 420 HG23 THR 56 2HG2 THR 56 9.892 9.016 11.873 421 H ASP 57 H ASP 57 8.254 8.836 7.405 422 HA ASP 57 HA ASP 57 7.490 11.381 6.045 423 HB2 ASP 57 2HB ASP 57 8.628 8.870 4.800 424 HB3 ASP 57 3HB ASP 57 8.522 10.476 4.098 425 H LEU 58 H LEU 58 6.602 7.956 6.275 426 HA LEU 58 HA LEU 58 4.074 8.378 4.734 427 HB2 LEU 58 2HB LEU 58 5.888 5.926 4.729 428 HB3 LEU 58 3HB LEU 58 4.373 6.099 3.850 429 HG LEU 58 HG LEU 58 6.953 7.594 3.257 430 HD11 LEU 58 1HD1 LEU 58 6.964 5.193 2.655 431 HD12 LEU 58 2HD1 LEU 58 6.956 6.231 1.221 432 HD13 LEU 58 3HD1 LEU 58 5.460 5.419 1.733 433 HD21 LEU 58 3HD2 LEU 58 5.150 9.036 2.651 434 HD22 LEU 58 1HD2 LEU 58 4.219 7.695 1.943 435 HD23 LEU 58 2HD2 LEU 58 5.713 8.273 1.164 436 H THR 59 H THR 59 2.359 6.927 5.311 437 HA THR 59 HA THR 59 2.922 4.984 7.522 438 HB THR 59 HB THR 59 0.247 6.237 6.857 439 HG1 THR 59 HG1 THR 59 0.320 6.532 9.133 440 HG21 THR 59 3HG2 THR 59 0.815 3.770 8.562 441 HG22 THR 59 1HG2 THR 59 -0.198 3.835 7.098 442 HG23 THR 59 2HG2 THR 59 -0.712 4.680 8.558 443 H VAL 60 H VAL 60 2.669 2.856 6.969 444 HA VAL 60 HA VAL 60 2.024 2.280 4.104 445 HB VAL 60 HB VAL 60 3.771 0.769 6.081 446 HG11 VAL 60 1HG1 VAL 60 2.889 -0.009 3.255 447 HG12 VAL 60 2HG1 VAL 60 4.178 -0.804 4.186 448 HG13 VAL 60 3HG1 VAL 60 2.510 -0.893 4.753 449 HG21 VAL 60 3HG2 VAL 60 4.317 2.132 3.407 450 HG22 VAL 60 1HG2 VAL 60 4.868 2.680 5.004 451 HG23 VAL 60 2HG2 VAL 60 5.484 1.165 4.328 452 H ALA 61 H ALA 61 0.233 1.221 3.640 453 HA ALA 61 HA ALA 61 -1.282 -0.147 5.797 454 HB1 ALA 61 3HB ALA 61 -3.310 0.783 4.800 455 HB2 ALA 61 1HB ALA 61 -2.192 2.089 5.248 456 HB3 ALA 61 2HB ALA 61 -2.348 1.594 3.552 457 H LYS 62 H LYS 62 -2.549 -1.913 5.217 458 HA LYS 62 HA LYS 62 -2.067 -3.129 2.521 459 HB2 LYS 62 2HB LYS 62 -1.633 -4.243 5.279 460 HB3 LYS 62 3HB LYS 62 -2.262 -5.328 4.042 461 HG2 LYS 62 2HG LYS 62 -0.402 -4.812 2.540 462 HG3 LYS 62 3HG LYS 62 0.278 -3.673 3.719 463 HD2 LYS 62 2HD LYS 62 0.654 -5.447 5.328 464 HD3 LYS 62 3HD LYS 62 -0.192 -6.631 4.332 465 HE2 LYS 62 2HE LYS 62 2.375 -5.199 3.506 466 HE3 LYS 62 3HE LYS 62 2.313 -6.791 4.274 467 HZ1 LYS 62 3HZ LYS 62 2.428 -7.109 1.916 468 HZ2 LYS 62 1HZ LYS 62 1.216 -6.085 1.598 469 HZ3 LYS 62 2HZ LYS 62 0.902 -7.513 2.353 470 H LEU 63 H LEU 63 -3.559 -4.296 1.573 471 HA LEU 63 HA LEU 63 -6.154 -4.896 2.909 472 HB2 LEU 63 2HB LEU 63 -6.438 -2.878 1.565 473 HB3 LEU 63 3HB LEU 63 -5.707 -3.636 0.166 474 HG LEU 63 HG LEU 63 -8.143 -3.337 0.047 475 HD11 LEU 63 1HD1 LEU 63 -8.719 -5.345 -1.001 476 HD12 LEU 63 2HD1 LEU 63 -7.650 -6.304 0.012 477 HD13 LEU 63 3HD1 LEU 63 -6.952 -5.230 -1.202 478 HD21 LEU 63 3HD2 LEU 63 -8.799 -3.802 2.361 479 HD22 LEU 63 1HD2 LEU 63 -8.317 -5.506 2.189 480 HD23 LEU 63 2HD2 LEU 63 -9.657 -4.856 1.239 481 H ASP 64 H ASP 64 -6.224 -7.121 2.969 482 HA ASP 64 HA ASP 64 -4.881 -8.723 0.884 483 HB2 ASP 64 2HB ASP 64 -4.867 -9.447 3.299 484 HB3 ASP 64 3HB ASP 64 -6.577 -9.724 3.174 485 H VAL 65 H VAL 65 -5.896 -9.067 -1.004 486 HA VAL 65 HA VAL 65 -8.443 -7.964 -1.501 487 HB VAL 65 HB VAL 65 -8.268 -8.841 -3.757 488 HG11 VAL 65 1HG1 VAL 65 -7.007 -6.811 -3.107 489 HG12 VAL 65 2HG1 VAL 65 -5.576 -7.807 -2.798 490 HG13 VAL 65 3HG1 VAL 65 -6.253 -7.702 -4.434 491 HG21 VAL 65 3HG2 VAL 65 -5.790 -10.343 -2.855 492 HG22 VAL 65 1HG2 VAL 65 -7.332 -11.089 -3.321 493 HG23 VAL 65 2HG2 VAL 65 -6.390 -10.192 -4.516 494 H ASP 66 H ASP 66 -7.812 -11.183 -0.380 495 HA ASP 66 HA ASP 66 -10.436 -12.230 -1.243 496 HB2 ASP 66 2HB ASP 66 -8.432 -13.668 -1.069 497 HB3 ASP 66 3HB ASP 66 -8.359 -13.354 0.668 498 H THR 67 H THR 67 -9.179 -10.390 1.441 499 HA THR 67 HA THR 67 -11.298 -11.301 3.297 500 HB THR 67 HB THR 67 -10.140 -10.155 5.029 501 HG1 THR 67 HG1 THR 67 -8.612 -8.991 2.972 502 HG21 THR 67 3HG2 THR 67 -9.193 -12.315 4.427 503 HG22 THR 67 1HG2 THR 67 -7.945 -11.198 5.006 504 HG23 THR 67 2HG2 THR 67 -8.095 -11.540 3.271 505 H ASN 68 H ASN 68 -10.547 -8.386 1.447 506 HA ASN 68 HA ASN 68 -13.401 -7.781 1.658 507 HB2 ASN 68 2HB ASN 68 -12.423 -6.419 3.482 508 HB3 ASN 68 3HB ASN 68 -11.430 -5.567 2.311 509 HD21 ASN 68 1HD2 ASN 68 -14.312 -5.362 3.994 510 HD22 ASN 68 2HD2 ASN 68 -15.160 -4.297 2.882 511 HA PRO 69 HA PRO 69 -11.855 -7.643 -2.646 512 HB2 PRO 69 2HB PRO 69 -14.785 -8.258 -3.048 513 HB3 PRO 69 3HB PRO 69 -13.363 -8.926 -3.910 514 HG2 PRO 69 2HG PRO 69 -14.594 -10.377 -1.983 515 HG3 PRO 69 3HG PRO 69 -12.802 -10.320 -2.046 516 HD2 PRO 69 2HD PRO 69 -14.673 -8.754 -0.250 517 HD3 PRO 69 3HD PRO 69 -13.144 -9.588 0.151 518 H GLU 70 H GLU 70 -14.545 -5.847 -1.133 519 HA GLU 70 HA GLU 70 -15.151 -4.237 -3.468 520 HB2 GLU 70 2HB GLU 70 -15.763 -3.790 -0.514 521 HB3 GLU 70 3HB GLU 70 -16.445 -2.859 -1.844 522 HG2 GLU 70 2HG GLU 70 -16.858 -5.848 -1.382 523 HG3 GLU 70 3HG GLU 70 -18.000 -4.575 -0.984 524 H THR 71 H THR 71 -12.919 -3.875 -0.748 525 HA THR 71 HA THR 71 -12.176 -1.124 -1.252 526 HB THR 71 HB THR 71 -10.327 -3.207 -0.117 527 HG1 THR 71 HG1 THR 71 -12.372 -3.305 0.950 528 HG21 THR 71 3HG2 THR 71 -9.501 -1.338 1.243 529 HG22 THR 71 1HG2 THR 71 -10.757 -0.262 0.583 530 HG23 THR 71 2HG2 THR 71 -9.451 -0.850 -0.454 531 H ALA 72 H ALA 72 -10.903 -4.234 -2.473 532 HA ALA 72 HA ALA 72 -8.872 -3.093 -4.204 533 HB1 ALA 72 3HB ALA 72 -10.279 -5.783 -4.347 534 HB2 ALA 72 1HB ALA 72 -8.728 -5.323 -5.082 535 HB3 ALA 72 2HB ALA 72 -8.871 -5.420 -3.326 536 H ARG 73 H ARG 73 -12.305 -3.922 -4.669 537 HA ARG 73 HA ARG 73 -12.257 -3.416 -7.479 538 HB2 ARG 73 2HB ARG 73 -13.902 -4.891 -6.417 539 HB3 ARG 73 3HB ARG 73 -14.558 -3.543 -5.488 540 HG2 ARG 73 2HG ARG 73 -16.016 -4.127 -7.356 541 HG3 ARG 73 3HG ARG 73 -15.417 -2.480 -7.507 542 HD2 ARG 73 2HD ARG 73 -13.626 -3.411 -9.108 543 HD3 ARG 73 3HD ARG 73 -14.473 -4.952 -9.008 544 HE ARG 73 HE ARG 73 -16.162 -4.108 -10.374 545 HH11 ARG 73 1HH1 ARG 73 -14.199 -1.336 -9.380 546 HH12 ARG 73 2HH1 ARG 73 -14.974 -0.299 -10.546 547 HH21 ARG 73 1HH2 ARG 73 -17.079 -2.697 -11.805 548 HH22 ARG 73 2HH2 ARG 73 -16.549 -1.043 -11.871 549 H ASN 74 H ASN 74 -13.029 -1.244 -4.771 550 HA ASN 74 HA ASN 74 -14.323 0.751 -6.315 551 HB2 ASN 74 2HB ASN 74 -13.142 0.594 -3.556 552 HB3 ASN 74 3HB ASN 74 -13.398 2.201 -4.217 553 HD21 ASN 74 1HD2 ASN 74 -15.085 -0.822 -3.409 554 HD22 ASN 74 2HD2 ASN 74 -16.681 -0.068 -3.342 555 H PHE 75 H PHE 75 -10.849 0.311 -5.873 556 HA PHE 75 HA PHE 75 -10.351 2.776 -7.497 557 HB2 PHE 75 2HB PHE 75 -8.419 1.148 -5.828 558 HB3 PHE 75 3HB PHE 75 -8.032 2.602 -6.733 559 HD1 PHE 75 HD2 PHE 75 -9.072 4.812 -6.081 560 HD2 PHE 75 HD1 PHE 75 -9.441 1.272 -3.641 561 HE1 PHE 75 HE2 PHE 75 -9.761 6.214 -4.146 562 HE2 PHE 75 HE1 PHE 75 -10.133 2.678 -1.713 563 HZ PHE 75 HZ PHE 75 -10.306 5.145 -1.967 564 H GLN 76 H GLN 76 -11.111 -0.233 -8.249 565 HA GLN 76 HA GLN 76 -10.518 -1.885 -9.642 566 HB2 GLN 76 2HB GLN 76 -11.294 -0.056 -11.161 567 HB3 GLN 76 3HB GLN 76 -9.603 0.340 -11.495 568 HG2 GLN 76 2HG GLN 76 -9.252 -1.994 -12.346 569 HG3 GLN 76 3HG GLN 76 -10.933 -2.372 -11.978 570 HE21 GLN 76 1HE2 GLN 76 -12.645 -1.228 -13.265 571 HE22 GLN 76 2HE2 GLN 76 -12.209 -0.598 -14.847 572 H VAL 77 H VAL 77 -8.820 -2.079 -7.784 573 HA VAL 77 HA VAL 77 -6.143 -2.562 -9.004 574 HB VAL 77 HB VAL 77 -5.192 -2.113 -6.788 575 HG11 VAL 77 1HG1 VAL 77 -5.169 -0.400 -8.581 576 HG12 VAL 77 2HG1 VAL 77 -6.640 0.304 -7.875 577 HG13 VAL 77 3HG1 VAL 77 -5.133 0.281 -6.946 578 HG21 VAL 77 3HG2 VAL 77 -7.111 -2.365 -5.326 579 HG22 VAL 77 1HG2 VAL 77 -6.464 -0.727 -5.167 580 HG23 VAL 77 2HG2 VAL 77 -7.942 -1.003 -6.097 581 H VAL 78 H VAL 78 -8.316 -4.342 -9.038 582 HA VAL 78 HA VAL 78 -8.118 -6.273 -6.909 583 HB VAL 78 HB VAL 78 -9.506 -7.717 -8.340 584 HG11 VAL 78 1HG1 VAL 78 -10.551 -6.009 -6.904 585 HG12 VAL 78 2HG1 VAL 78 -10.493 -4.838 -8.241 586 HG13 VAL 78 3HG1 VAL 78 -11.491 -6.298 -8.373 587 HG21 VAL 78 3HG2 VAL 78 -10.385 -6.931 -10.479 588 HG22 VAL 78 1HG2 VAL 78 -9.361 -5.486 -10.423 589 HG23 VAL 78 2HG2 VAL 78 -8.629 -7.099 -10.581 590 H SER 79 H SER 79 -6.190 -5.772 -9.738 591 HA SER 79 HA SER 79 -4.937 -8.378 -9.930 592 HB2 SER 79 2HB SER 79 -3.860 -5.630 -10.679 593 HB3 SER 79 3HB SER 79 -3.223 -7.190 -11.225 594 HG SER 79 HG SER 79 -5.181 -7.559 -12.324 595 H ILE 80 H ILE 80 -2.795 -8.964 -9.175 596 HA ILE 80 HA ILE 80 -1.943 -7.514 -6.737 597 HB ILE 80 HB ILE 80 -1.808 -9.848 -5.629 598 HG12 ILE 80 2HG1 ILE 80 -3.899 -10.560 -7.711 599 HG13 ILE 80 3HG1 ILE 80 -2.229 -11.141 -7.720 600 HG21 ILE 80 1HG2 ILE 80 -3.381 -7.974 -5.041 601 HG22 ILE 80 2HG2 ILE 80 -4.579 -8.712 -6.120 602 HG23 ILE 80 3HG2 ILE 80 -3.992 -9.587 -4.688 603 HD11 ILE 80 3HD1 ILE 80 -2.608 -12.127 -5.439 604 HD12 ILE 80 1HD1 ILE 80 -4.327 -11.692 -5.596 605 HD13 ILE 80 2HD1 ILE 80 -3.587 -12.824 -6.746 606 HA PRO 81 HA PRO 81 -0.474 -7.320 -5.202 607 HB2 PRO 81 2HB PRO 81 1.920 -6.100 -4.797 608 HB3 PRO 81 3HB PRO 81 1.572 -7.750 -4.211 609 HG2 PRO 81 2HG PRO 81 3.012 -6.930 -6.744 610 HG3 PRO 81 3HG PRO 81 3.525 -8.148 -5.536 611 HD2 PRO 81 2HD PRO 81 2.242 -8.853 -7.847 612 HD3 PRO 81 3HD PRO 81 1.938 -9.714 -6.312 613 H THR 82 H THR 82 -1.023 -5.124 -5.195 614 HA THR 82 HA THR 82 0.004 -3.334 -7.361 615 HB THR 82 HB THR 82 -2.920 -3.568 -6.528 616 HG1 THR 82 HG1 THR 82 -2.776 -4.943 -8.073 617 HG21 THR 82 3HG2 THR 82 -2.505 -1.225 -6.877 618 HG22 THR 82 1HG2 THR 82 -3.233 -1.841 -8.367 619 HG23 THR 82 2HG2 THR 82 -1.487 -1.542 -8.297 620 H LEU 83 H LEU 83 0.827 -1.548 -6.534 621 HA LEU 83 HA LEU 83 0.109 -0.725 -3.741 622 HB2 LEU 83 2HB LEU 83 2.679 -0.302 -5.300 623 HB3 LEU 83 3HB LEU 83 2.280 0.467 -3.780 624 HG LEU 83 HG LEU 83 2.230 -1.761 -2.656 625 HD11 LEU 83 1HD1 LEU 83 3.479 -3.634 -3.789 626 HD12 LEU 83 2HD1 LEU 83 3.318 -2.764 -5.333 627 HD13 LEU 83 3HD1 LEU 83 1.884 -3.365 -4.458 628 HD21 LEU 83 3HD2 LEU 83 4.708 -1.978 -2.689 629 HD22 LEU 83 1HD2 LEU 83 4.203 -0.282 -2.646 630 HD23 LEU 83 2HD2 LEU 83 4.755 -0.989 -4.170 631 H ILE 84 H ILE 84 -0.713 1.251 -3.457 632 HA ILE 84 HA ILE 84 -0.347 3.288 -5.584 633 HB ILE 84 HB ILE 84 -2.695 2.260 -5.582 634 HG12 ILE 84 2HG1 ILE 84 -2.388 5.276 -5.230 635 HG13 ILE 84 3HG1 ILE 84 -2.085 4.351 -6.706 636 HG21 ILE 84 1HG2 ILE 84 -4.274 2.957 -3.906 637 HG22 ILE 84 2HG2 ILE 84 -2.882 2.236 -3.073 638 HG23 ILE 84 3HG2 ILE 84 -3.062 3.993 -3.120 639 HD11 ILE 84 3HD1 ILE 84 -4.488 3.649 -6.723 640 HD12 ILE 84 1HD1 ILE 84 -4.766 4.758 -5.353 641 HD13 ILE 84 2HD1 ILE 84 -4.216 5.394 -6.912 642 H LEU 85 H LEU 85 0.050 5.368 -4.878 643 HA LEU 85 HA LEU 85 0.362 5.748 -1.913 644 HB2 LEU 85 2HB LEU 85 2.516 5.451 -3.178 645 HB3 LEU 85 3HB LEU 85 2.059 6.856 -4.150 646 HG LEU 85 HG LEU 85 2.053 8.250 -2.064 647 HD11 LEU 85 1HD1 LEU 85 3.409 5.839 -0.819 648 HD12 LEU 85 2HD1 LEU 85 1.815 6.493 -0.365 649 HD13 LEU 85 3HD1 LEU 85 3.264 7.461 -0.111 650 HD21 LEU 85 3HD2 LEU 85 3.958 8.208 -3.627 651 HD22 LEU 85 1HD2 LEU 85 4.639 6.814 -2.778 652 HD23 LEU 85 2HD2 LEU 85 4.518 8.373 -1.947 653 H PHE 86 H PHE 86 -0.943 7.210 -1.103 654 HA PHE 86 HA PHE 86 -1.965 9.437 -2.792 655 HB2 PHE 86 2HB PHE 86 -2.880 8.483 -0.058 656 HB3 PHE 86 3HB PHE 86 -3.592 9.789 -0.987 657 HD1 PHE 86 HD2 PHE 86 -3.202 6.120 -0.718 658 HD2 PHE 86 HD1 PHE 86 -5.112 9.333 -2.860 659 HE1 PHE 86 HE2 PHE 86 -4.825 4.519 -1.684 660 HE2 PHE 86 HE1 PHE 86 -6.703 7.717 -3.870 661 HZ PHE 86 HZ PHE 86 -6.578 5.305 -3.263 662 H LYS 87 H LYS 87 -1.180 11.478 -2.465 663 HA LYS 87 HA LYS 87 0.873 11.830 -0.324 664 HB2 LYS 87 2HB LYS 87 1.392 12.162 -2.729 665 HB3 LYS 87 3HB LYS 87 0.284 13.548 -2.751 666 HG2 LYS 87 2HG LYS 87 1.711 14.676 -1.044 667 HG3 LYS 87 3HG LYS 87 2.796 13.267 -1.040 668 HD2 LYS 87 2HD LYS 87 3.252 13.615 -3.452 669 HD3 LYS 87 3HD LYS 87 2.222 15.049 -3.453 670 HE2 LYS 87 2HE LYS 87 4.717 14.686 -1.724 671 HE3 LYS 87 3HE LYS 87 4.704 15.491 -3.294 672 HZ1 LYS 87 3HZ LYS 87 3.146 17.129 -2.382 673 HZ2 LYS 87 1HZ LYS 87 4.526 17.107 -1.515 674 HZ3 LYS 87 2HZ LYS 87 3.183 16.409 -0.911 675 H ASP 88 H ASP 88 -2.135 13.231 -1.341 676 HA ASP 88 HA ASP 88 -2.574 14.522 1.264 677 HB2 ASP 88 2HB ASP 88 -1.280 16.219 -0.003 678 HB3 ASP 88 3HB ASP 88 -2.460 16.157 -1.308 679 H GLY 89 H GLY 89 -3.944 12.452 0.732 680 HA2 GLY 89 2HA GLY 89 -5.974 11.484 0.334 681 HA3 GLY 89 3HA GLY 89 -6.699 13.085 0.266 682 H GLN 90 H GLN 90 -4.171 12.386 -1.983 683 HA GLN 90 HA GLN 90 -5.971 11.704 -4.216 684 HB2 GLN 90 2HB GLN 90 -5.052 13.504 -5.600 685 HB3 GLN 90 3HB GLN 90 -5.913 14.112 -4.187 686 HG2 GLN 90 2HG GLN 90 -3.486 14.249 -3.108 687 HG3 GLN 90 3HG GLN 90 -2.942 14.162 -4.780 688 HE21 GLN 90 1HE2 GLN 90 -4.819 16.062 -2.404 689 HE22 GLN 90 2HE2 GLN 90 -4.795 17.549 -3.349 690 HA PRO 91 HA PRO 91 -2.549 9.021 -4.876 691 HB2 PRO 91 2HB PRO 91 -3.124 7.873 -7.268 692 HB3 PRO 91 3HB PRO 91 -4.111 7.618 -5.793 693 HG2 PRO 91 2HG PRO 91 -4.621 9.588 -8.050 694 HG3 PRO 91 3HG PRO 91 -5.771 8.423 -7.319 695 HD2 PRO 91 2HD PRO 91 -5.665 11.042 -6.543 696 HD3 PRO 91 3HD PRO 91 -6.011 9.728 -5.379 697 H VAL 92 H VAL 92 -0.547 8.995 -5.644 698 HA VAL 92 HA VAL 92 0.293 10.868 -7.844 699 HB VAL 92 HB VAL 92 1.575 10.371 -5.135 700 HG11 VAL 92 1HG1 VAL 92 3.189 12.153 -5.770 701 HG12 VAL 92 2HG1 VAL 92 3.379 10.708 -6.753 702 HG13 VAL 92 3HG1 VAL 92 2.545 12.130 -7.427 703 HG21 VAL 92 3HG2 VAL 92 0.203 12.785 -6.418 704 HG22 VAL 92 1HG2 VAL 92 -0.302 11.916 -4.953 705 HG23 VAL 92 2HG2 VAL 92 1.171 12.894 -4.945 706 H LYS 93 H LYS 93 0.765 7.708 -6.355 707 HA LYS 93 HA LYS 93 2.251 6.855 -8.778 708 HB2 LYS 93 2HB LYS 93 3.116 6.327 -5.912 709 HB3 LYS 93 3HB LYS 93 3.570 5.251 -7.206 710 HG2 LYS 93 2HG LYS 93 4.233 8.223 -7.293 711 HG3 LYS 93 3HG LYS 93 5.251 7.023 -6.496 712 HD2 LYS 93 2HD LYS 93 5.403 5.726 -8.620 713 HD3 LYS 93 3HD LYS 93 4.481 7.000 -9.449 714 HE2 LYS 93 2HE LYS 93 6.220 8.641 -8.953 715 HE3 LYS 93 3HE LYS 93 7.088 7.471 -7.946 716 HZ1 LYS 93 3HZ LYS 93 8.062 7.601 -10.170 717 HZ2 LYS 93 1HZ LYS 93 6.649 7.166 -10.868 718 HZ3 LYS 93 2HZ LYS 93 7.452 6.101 -9.912 719 H ARG 94 H ARG 94 1.703 4.897 -9.496 720 HA ARG 94 HA ARG 94 0.009 2.999 -7.976 721 HB2 ARG 94 2HB ARG 94 -1.596 4.545 -9.032 722 HB3 ARG 94 3HB ARG 94 -0.822 4.312 -10.601 723 HG2 ARG 94 2HG ARG 94 -1.469 1.914 -10.569 724 HG3 ARG 94 3HG ARG 94 -2.255 2.142 -8.993 725 HD2 ARG 94 2HD ARG 94 -3.878 3.663 -9.948 726 HD3 ARG 94 3HD ARG 94 -2.985 3.764 -11.466 727 HE ARG 94 HE ARG 94 -3.505 1.422 -11.925 728 HH11 ARG 94 1HH1 ARG 94 -5.657 2.942 -9.605 729 HH12 ARG 94 2HH1 ARG 94 -6.898 1.738 -9.842 730 HH21 ARG 94 1HH2 ARG 94 -5.080 -0.057 -12.160 731 HH22 ARG 94 2HH2 ARG 94 -6.510 0.002 -11.175 732 H ILE 95 H ILE 95 1.178 1.153 -8.161 733 HA ILE 95 HA ILE 95 2.212 0.276 -10.807 734 HB ILE 95 HB ILE 95 4.236 -0.529 -9.650 735 HG12 ILE 95 2HG1 ILE 95 3.430 1.244 -7.319 736 HG13 ILE 95 3HG1 ILE 95 3.503 -0.524 -7.344 737 HG21 ILE 95 1HG2 ILE 95 5.467 1.553 -9.850 738 HG22 ILE 95 2HG2 ILE 95 4.163 1.576 -11.035 739 HG23 ILE 95 3HG2 ILE 95 4.007 2.508 -9.531 740 HD11 ILE 95 3HD1 ILE 95 5.459 0.310 -6.220 741 HD12 ILE 95 1HD1 ILE 95 5.962 -0.403 -7.766 742 HD13 ILE 95 2HD1 ILE 95 5.870 1.367 -7.576 743 H VAL 96 H VAL 96 2.448 -1.814 -11.198 744 HA VAL 96 HA VAL 96 1.142 -3.691 -9.311 745 HB VAL 96 HB VAL 96 0.157 -4.780 -11.102 746 HG11 VAL 96 1HG1 VAL 96 -1.031 -2.789 -10.225 747 HG12 VAL 96 2HG1 VAL 96 -0.399 -1.838 -11.583 748 HG13 VAL 96 3HG1 VAL 96 -1.490 -3.207 -11.880 749 HG21 VAL 96 3HG2 VAL 96 1.432 -2.812 -13.043 750 HG22 VAL 96 1HG2 VAL 96 1.786 -4.551 -12.927 751 HG23 VAL 96 2HG2 VAL 96 0.195 -4.012 -13.463 752 H GLY 97 H GLY 97 1.964 -5.738 -9.130 753 HA2 GLY 97 2HA GLY 97 3.533 -7.476 -9.332 754 HA3 GLY 97 3HA GLY 97 4.426 -6.578 -10.550 755 H ALA 98 H ALA 98 5.703 -7.936 -8.501 756 HA ALA 98 HA ALA 98 6.311 -6.162 -6.265 757 HB1 ALA 98 3HB ALA 98 7.738 -8.028 -5.530 758 HB2 ALA 98 1HB ALA 98 6.117 -8.592 -5.981 759 HB3 ALA 98 2HB ALA 98 7.487 -8.850 -7.085 760 H LYS 99 H LYS 99 8.208 -5.137 -5.797 761 HA LYS 99 HA LYS 99 10.513 -5.264 -7.667 762 HB2 LYS 99 2HB LYS 99 9.521 -2.632 -6.491 763 HB3 LYS 99 3HB LYS 99 10.931 -2.889 -7.512 764 HG2 LYS 99 2HG LYS 99 9.376 -3.725 -9.329 765 HG3 LYS 99 3HG LYS 99 8.015 -3.210 -8.317 766 HD2 LYS 99 2HD LYS 99 8.891 -0.864 -8.374 767 HD3 LYS 99 3HD LYS 99 10.216 -1.418 -9.428 768 HE2 LYS 99 2HE LYS 99 8.421 -2.352 -10.991 769 HE3 LYS 99 3HE LYS 99 7.221 -1.510 -10.013 770 HZ1 LYS 99 3HZ LYS 99 8.294 0.615 -10.628 771 HZ2 LYS 99 1HZ LYS 99 7.933 -0.219 -11.973 772 HZ3 LYS 99 2HZ LYS 99 9.471 -0.180 -11.444 773 H GLY 100 H GLY 100 12.585 -4.780 -6.600 774 HA2 GLY 100 2HA GLY 100 12.706 -5.801 -3.863 775 HA3 GLY 100 3HA GLY 100 14.059 -5.330 -4.897 776 H LYS 101 H LYS 101 13.994 -4.607 -2.255 777 HA LYS 101 HA LYS 101 12.762 -2.256 -1.450 778 HB2 LYS 101 2HB LYS 101 14.473 -3.993 -0.287 779 HB3 LYS 101 3HB LYS 101 15.611 -2.697 -0.575 780 HG2 LYS 101 2HG LYS 101 13.039 -2.594 1.071 781 HG3 LYS 101 3HG LYS 101 14.692 -2.681 1.660 782 HD2 LYS 101 2HD LYS 101 15.087 -0.404 0.511 783 HD3 LYS 101 3HD LYS 101 13.329 -0.341 0.294 784 HE2 LYS 101 2HE LYS 101 13.897 0.916 2.239 785 HE3 LYS 101 3HE LYS 101 12.998 -0.517 2.737 786 HZ1 LYS 101 3HZ LYS 101 15.079 -1.545 3.448 787 HZ2 LYS 101 1HZ LYS 101 14.997 -0.064 4.132 788 HZ3 LYS 101 2HZ LYS 101 15.967 -0.300 2.845 789 H ALA 102 H ALA 102 15.607 -2.417 -3.517 790 HA ALA 102 HA ALA 102 16.305 0.385 -3.233 791 HB1 ALA 102 3HB ALA 102 16.968 -1.619 -5.439 792 HB2 ALA 102 1HB ALA 102 17.732 -0.033 -5.203 793 HB3 ALA 102 2HB ALA 102 17.929 -1.300 -3.978 794 H ALA 103 H ALA 103 14.544 -1.390 -5.850 795 HA ALA 103 HA ALA 103 13.855 1.083 -7.197 796 HB1 ALA 103 3HB ALA 103 14.266 -0.980 -8.434 797 HB2 ALA 103 1HB ALA 103 12.934 -1.798 -7.591 798 HB3 ALA 103 2HB ALA 103 12.595 -0.450 -8.702 799 H LEU 104 H LEU 104 12.056 -1.042 -4.869 800 HA LEU 104 HA LEU 104 9.568 0.358 -5.155 801 HB2 LEU 104 2HB LEU 104 10.333 -1.872 -3.826 802 HB3 LEU 104 3HB LEU 104 10.453 -0.741 -2.498 803 HG LEU 104 HG LEU 104 8.316 -1.719 -2.326 804 HD11 LEU 104 1HD1 LEU 104 6.702 0.005 -2.579 805 HD12 LEU 104 2HD1 LEU 104 7.628 0.806 -3.862 806 HD13 LEU 104 3HD1 LEU 104 8.236 0.795 -2.195 807 HD21 LEU 104 3HD2 LEU 104 8.284 -2.773 -4.538 808 HD22 LEU 104 1HD2 LEU 104 7.836 -1.215 -5.283 809 HD23 LEU 104 2HD2 LEU 104 6.746 -2.026 -4.138 810 H LEU 105 H LEU 105 12.440 0.933 -2.973 811 HA LEU 105 HA LEU 105 11.264 3.371 -2.008 812 HB2 LEU 105 2HB LEU 105 12.935 2.135 -0.710 813 HB3 LEU 105 3HB LEU 105 14.178 2.601 -1.875 814 HG LEU 105 HG LEU 105 13.915 4.984 -1.273 815 HD11 LEU 105 1HD1 LEU 105 11.536 5.169 -0.701 816 HD12 LEU 105 2HD1 LEU 105 12.492 5.630 0.698 817 HD13 LEU 105 3HD1 LEU 105 11.734 4.020 0.646 818 HD21 LEU 105 3HD2 LEU 105 15.429 3.606 0.049 819 HD22 LEU 105 1HD2 LEU 105 14.099 3.142 1.140 820 HD23 LEU 105 2HD2 LEU 105 14.659 4.817 1.082 821 H ARG 106 H ARG 106 13.183 2.813 -5.025 822 HA ARG 106 HA ARG 106 13.514 5.648 -5.555 823 HB2 ARG 106 2HB ARG 106 13.064 3.326 -7.479 824 HB3 ARG 106 3HB ARG 106 13.365 4.982 -7.991 825 HG2 ARG 106 2HG ARG 106 15.544 4.995 -6.895 826 HG3 ARG 106 3HG ARG 106 15.293 3.372 -6.277 827 HD2 ARG 106 2HD ARG 106 15.116 2.520 -8.613 828 HD3 ARG 106 3HD ARG 106 15.430 4.162 -9.212 829 HE ARG 106 HE ARG 106 17.523 3.478 -7.424 830 HH11 ARG 106 1HH1 ARG 106 16.434 2.452 -10.594 831 HH12 ARG 106 2HH1 ARG 106 18.029 1.941 -11.076 832 HH21 ARG 106 1HH2 ARG 106 19.532 2.812 -8.108 833 HH22 ARG 106 2HH2 ARG 106 19.731 2.145 -9.700 834 H GLU 107 H GLU 107 10.852 3.453 -6.399 835 HA GLU 107 HA GLU 107 9.104 5.319 -7.605 836 HB2 GLU 107 2HB GLU 107 8.482 2.807 -6.047 837 HB3 GLU 107 3HB GLU 107 7.293 3.700 -6.987 838 HG2 GLU 107 2HG GLU 107 9.875 2.691 -8.257 839 HG3 GLU 107 3HG GLU 107 8.471 1.672 -8.028 840 H LEU 108 H LEU 108 9.436 4.458 -4.141 841 HA LEU 108 HA LEU 108 7.489 6.502 -3.311 842 HB2 LEU 108 2HB LEU 108 9.467 4.857 -1.706 843 HB3 LEU 108 3HB LEU 108 8.174 5.853 -1.038 844 HG LEU 108 HG LEU 108 7.786 3.385 -2.790 845 HD11 LEU 108 1HD1 LEU 108 8.666 2.983 -0.506 846 HD12 LEU 108 2HD1 LEU 108 7.031 2.344 -0.728 847 HD13 LEU 108 3HD1 LEU 108 7.277 3.862 0.166 848 HD21 LEU 108 3HD2 LEU 108 5.413 3.548 -2.170 849 HD22 LEU 108 1HD2 LEU 108 5.926 4.921 -3.139 850 HD23 LEU 108 2HD2 LEU 108 5.725 5.111 -1.374 851 H SER 109 H SER 109 11.022 6.434 -3.671 852 HA SER 109 HA SER 109 11.703 8.648 -2.101 853 HB2 SER 109 2HB SER 109 13.021 7.645 -4.628 854 HB3 SER 109 3HB SER 109 13.605 9.049 -3.729 855 HG SER 109 HG SER 109 13.264 6.432 -2.762 856 H ASP 110 H ASP 110 10.360 8.394 -5.391 857 HA ASP 110 HA ASP 110 10.441 11.067 -6.285 858 HB2 ASP 110 2HB ASP 110 9.531 9.045 -7.482 859 HB3 ASP 110 3HB ASP 110 8.077 9.168 -6.486 860 H VAL 111 H VAL 111 8.491 9.795 -3.624 861 HA VAL 111 HA VAL 111 7.301 12.488 -3.082 862 HB VAL 111 HB VAL 111 6.461 9.669 -2.347 863 HG11 VAL 111 1HG1 VAL 111 6.086 10.940 -0.306 864 HG12 VAL 111 2HG1 VAL 111 5.340 12.273 -1.225 865 HG13 VAL 111 3HG1 VAL 111 4.539 10.690 -1.111 866 HG21 VAL 111 3HG2 VAL 111 5.692 10.454 -4.530 867 HG22 VAL 111 1HG2 VAL 111 4.311 10.487 -3.425 868 HG23 VAL 111 2HG2 VAL 111 5.145 11.993 -3.834 869 H VAL 112 H VAL 112 9.502 10.054 -1.876 870 HA VAL 112 HA VAL 112 10.008 11.630 0.613 871 HB VAL 112 HB VAL 112 10.510 8.657 0.168 872 HG11 VAL 112 1HG1 VAL 112 10.660 8.649 2.672 873 HG12 VAL 112 2HG1 VAL 112 11.937 9.611 1.943 874 HG13 VAL 112 3HG1 VAL 112 10.536 10.422 2.666 875 HG21 VAL 112 3HG2 VAL 112 8.089 9.031 0.154 876 HG22 VAL 112 1HG2 VAL 112 8.580 8.308 1.681 877 HG23 VAL 112 2HG2 VAL 112 8.209 10.047 1.609 878 HA PRO 113 HA PRO 113 14.010 12.148 -1.754 879 HB2 PRO 113 2HB PRO 113 13.725 14.742 -0.229 880 HB3 PRO 113 3HB PRO 113 14.435 14.459 -1.850 881 HG2 PRO 113 2HG PRO 113 11.947 15.495 -1.627 882 HG3 PRO 113 3HG PRO 113 12.267 14.203 -2.832 883 HD2 PRO 113 2HD PRO 113 11.015 13.935 -0.082 884 HD3 PRO 113 3HD PRO 113 10.513 13.231 -1.652 885 H ASN 114 H ASN 114 12.843 12.532 1.513 886 HA ASN 114 HA ASN 114 15.362 12.288 2.918 887 HB2 ASN 114 2HB ASN 114 13.294 13.508 3.709 888 HB3 ASN 114 3HB ASN 114 12.477 11.953 3.846 889 HD21 ASN 114 2HD2 ASN 114 12.165 11.858 6.052 890 HD22 ASN 114 1HD2 ASN 114 13.484 11.987 7.223 891 H LEU 115 H LEU 115 15.108 10.117 0.986 892 HA LEU 115 HA LEU 115 13.928 7.812 1.932 893 HB2 LEU 115 2HB LEU 115 14.886 6.776 0.118 894 HB3 LEU 115 3HB LEU 115 14.798 8.438 -0.389 895 HG LEU 115 HG LEU 115 17.324 7.032 0.614 896 HD11 LEU 115 1HD1 LEU 115 16.509 6.137 -1.530 897 HD12 LEU 115 2HD1 LEU 115 18.021 7.039 -1.730 898 HD13 LEU 115 3HD1 LEU 115 16.474 7.778 -2.206 899 HD21 LEU 115 3HD2 LEU 115 18.528 8.962 -0.373 900 HD22 LEU 115 1HD2 LEU 115 17.494 9.473 0.960 901 HD23 LEU 115 2HD2 LEU 115 16.976 9.755 -0.717 902 H ASN 116 H ASN 116 16.918 9.090 3.108 903 HA ASN 116 HA ASN 116 17.439 6.630 4.723 904 HB2 ASN 116 2HB ASN 116 19.076 6.803 2.874 905 HB3 ASN 116 3HB ASN 116 19.504 8.430 3.397 906 HD21 ASN 116 1HD2 ASN 116 21.703 7.405 3.402 907 HD22 ASN 116 2HD2 ASN 116 22.187 6.560 4.867 Start of MODEL 5 1 H1 MET 1 1H MET 1 15.619 5.244 27.525 2 H2 MET 1 2H MET 1 14.340 5.407 28.529 3 HA MET 1 HA MET 1 13.046 6.498 26.848 4 HB2 MET 1 2HB MET 1 14.993 7.553 25.706 5 HB3 MET 1 3HB MET 1 15.441 5.984 25.029 6 HG2 MET 1 2HG MET 1 14.221 7.416 23.430 7 HG3 MET 1 3HG MET 1 13.387 5.901 23.735 8 HE1 MET 1 3HE MET 1 11.926 8.139 22.213 9 HE2 MET 1 1HE MET 1 11.133 6.630 22.725 10 HE3 MET 1 2HE MET 1 10.354 8.196 23.042 11 H THR 2 H THR 2 11.637 5.261 25.500 12 HA THR 2 HA THR 2 11.707 2.389 25.983 13 HB THR 2 HB THR 2 9.573 2.441 24.630 14 HG1 THR 2 HG1 THR 2 8.712 4.478 24.216 15 HG21 THR 2 3HG2 THR 2 9.701 4.391 26.975 16 HG22 THR 2 1HG2 THR 2 9.569 2.623 27.105 17 HG23 THR 2 2HG2 THR 2 8.257 3.554 26.366 18 H ASP 3 H ASP 3 11.489 0.755 24.367 19 HA ASP 3 HA ASP 3 12.420 1.308 21.623 20 HB2 ASP 3 2HB ASP 3 14.496 1.008 22.950 21 HB3 ASP 3 3HB ASP 3 13.895 -0.540 23.546 22 H SER 4 H SER 4 11.918 -0.361 20.142 23 HA SER 4 HA SER 4 10.596 -2.824 21.037 24 HB2 SER 4 2HB SER 4 8.743 -1.186 21.037 25 HB3 SER 4 3HB SER 4 9.095 -0.785 19.345 26 HG SER 4 HG SER 4 7.398 -2.387 19.716 27 H GLU 5 H GLU 5 10.502 -4.407 19.466 28 HA GLU 5 HA GLU 5 12.168 -4.001 17.030 29 HB2 GLU 5 2HB GLU 5 11.199 -6.535 18.399 30 HB3 GLU 5 3HB GLU 5 12.204 -6.478 16.952 31 HG2 GLU 5 2HG GLU 5 13.924 -5.265 18.217 32 HG3 GLU 5 3HG GLU 5 12.957 -5.455 19.678 33 H LYS 6 H LYS 6 8.938 -3.752 17.732 34 HA LYS 6 HA LYS 6 7.754 -5.257 15.551 35 HB2 LYS 6 2HB LYS 6 6.686 -2.994 17.281 36 HB3 LYS 6 3HB LYS 6 5.718 -3.901 16.110 37 HG2 LYS 6 2HG LYS 6 6.194 -6.010 17.324 38 HG3 LYS 6 3HG LYS 6 7.129 -5.109 18.532 39 HD2 LYS 6 2HD LYS 6 5.103 -3.756 19.067 40 HD3 LYS 6 3HD LYS 6 4.156 -4.724 17.933 41 HE2 LYS 6 2HE LYS 6 5.635 -5.817 20.374 42 HE3 LYS 6 3HE LYS 6 3.925 -5.380 20.356 43 HZ1 LYS 6 3HZ LYS 6 3.570 -7.074 18.637 44 HZ2 LYS 6 1HZ LYS 6 4.198 -7.745 19.983 45 HZ3 LYS 6 2HZ LYS 6 5.148 -7.507 18.681 46 H SER 7 H SER 7 6.908 -4.599 13.625 47 HA SER 7 HA SER 7 8.195 -2.352 12.266 48 HB2 SER 7 2HB SER 7 6.981 -3.260 10.283 49 HB3 SER 7 3HB SER 7 8.074 -4.407 11.073 50 HG SER 7 HG SER 7 6.075 -5.371 10.580 51 H ALA 8 H ALA 8 6.977 -0.865 10.900 52 HA ALA 8 HA ALA 8 4.747 0.304 12.461 53 HB1 ALA 8 3HB ALA 8 6.865 1.561 12.097 54 HB2 ALA 8 1HB ALA 8 6.487 1.597 10.354 55 HB3 ALA 8 2HB ALA 8 5.420 2.406 11.514 56 H THR 9 H THR 9 4.212 -1.888 10.425 57 HA THR 9 HA THR 9 2.547 -0.480 8.421 58 HB THR 9 HB THR 9 2.026 -2.804 7.619 59 HG1 THR 9 HG1 THR 9 2.540 -3.967 9.495 60 HG21 THR 9 3HG2 THR 9 4.201 -3.164 6.570 61 HG22 THR 9 1HG2 THR 9 4.980 -2.088 7.751 62 HG23 THR 9 2HG2 THR 9 3.806 -1.435 6.583 63 H ILE 10 H ILE 10 0.351 -0.787 8.147 64 HA ILE 10 HA ILE 10 -1.251 -1.980 10.366 65 HB ILE 10 HB ILE 10 -2.853 -0.085 10.153 66 HG12 ILE 10 2HG1 ILE 10 -0.632 1.344 8.625 67 HG13 ILE 10 3HG1 ILE 10 -2.136 0.736 7.921 68 HG21 ILE 10 1HG2 ILE 10 -1.657 1.376 11.663 69 HG22 ILE 10 2HG2 ILE 10 -1.144 -0.280 11.984 70 HG23 ILE 10 3HG2 ILE 10 -0.086 0.808 11.063 71 HD11 ILE 10 3HD1 ILE 10 -2.356 3.093 8.293 72 HD12 ILE 10 1HD1 ILE 10 -3.422 2.250 9.436 73 HD13 ILE 10 2HD1 ILE 10 -1.878 2.948 9.988 74 H LYS 11 H LYS 11 -3.572 -2.336 9.725 75 HA LYS 11 HA LYS 11 -3.885 -2.795 6.781 76 HB2 LYS 11 2HB LYS 11 -5.221 -4.522 8.871 77 HB3 LYS 11 3HB LYS 11 -5.211 -4.706 7.113 78 HG2 LYS 11 2HG LYS 11 -2.564 -4.862 7.472 79 HG3 LYS 11 3HG LYS 11 -3.028 -5.299 9.113 80 HD2 LYS 11 2HD LYS 11 -3.765 -6.705 6.521 81 HD3 LYS 11 3HD LYS 11 -2.691 -7.303 7.784 82 HE2 LYS 11 2HE LYS 11 -4.591 -7.454 9.362 83 HE3 LYS 11 3HE LYS 11 -5.683 -6.802 8.130 84 HZ1 LYS 11 3HZ LYS 11 -5.786 -9.227 8.224 85 HZ2 LYS 11 1HZ LYS 11 -4.201 -9.360 7.861 86 HZ3 LYS 11 2HZ LYS 11 -5.257 -8.753 6.757 87 H VAL 12 H VAL 12 -5.794 -2.312 5.836 88 HA VAL 12 HA VAL 12 -7.873 -0.847 7.400 89 HB VAL 12 HB VAL 12 -8.125 0.764 5.579 90 HG11 VAL 12 1HG1 VAL 12 -6.796 1.353 7.560 91 HG12 VAL 12 2HG1 VAL 12 -5.321 0.766 6.764 92 HG13 VAL 12 3HG1 VAL 12 -6.192 2.157 6.100 93 HG21 VAL 12 3HG2 VAL 12 -7.084 -0.516 3.711 94 HG22 VAL 12 1HG2 VAL 12 -6.406 1.109 3.887 95 HG23 VAL 12 2HG2 VAL 12 -5.493 -0.295 4.465 96 H THR 13 H THR 13 -9.942 -0.763 6.407 97 HA THR 13 HA THR 13 -10.562 -3.049 4.573 98 HB THR 13 HB THR 13 -12.613 -3.415 5.848 99 HG1 THR 13 HG1 THR 13 -12.851 -2.337 7.851 100 HG21 THR 13 3HG2 THR 13 -11.717 -4.395 7.863 101 HG22 THR 13 1HG2 THR 13 -10.264 -3.378 7.785 102 HG23 THR 13 2HG2 THR 13 -10.542 -4.633 6.557 103 H ASP 14 H ASP 14 -12.768 -2.832 3.537 104 HA ASP 14 HA ASP 14 -13.076 -0.398 2.138 105 HB2 ASP 14 2HB ASP 14 -13.998 -2.678 1.529 106 HB3 ASP 14 3HB ASP 14 -15.253 -2.442 2.737 107 H ALA 15 H ALA 15 -14.321 -1.265 5.304 108 HA ALA 15 HA ALA 15 -16.179 0.989 5.504 109 HB1 ALA 15 3HB ALA 15 -15.216 -1.044 7.559 110 HB2 ALA 15 1HB ALA 15 -16.580 0.078 7.750 111 HB3 ALA 15 2HB ALA 15 -16.658 -1.204 6.528 112 H SER 16 H SER 16 -12.773 0.676 5.971 113 HA SER 16 HA SER 16 -12.693 3.108 7.728 114 HB2 SER 16 2HB SER 16 -10.744 2.143 8.849 115 HB3 SER 16 3HB SER 16 -12.192 1.149 9.056 116 HG SER 16 HG SER 16 -11.411 -0.350 7.703 117 H PHE 17 H PHE 17 -11.622 1.865 4.729 118 HA PHE 17 HA PHE 17 -9.057 2.860 4.418 119 HB2 PHE 17 2HB PHE 17 -10.274 1.392 2.853 120 HB3 PHE 17 3HB PHE 17 -11.331 2.713 2.395 121 HD1 PHE 17 HD1 PHE 17 -10.357 4.698 1.104 122 HD2 PHE 17 HD2 PHE 17 -8.159 1.053 1.822 123 HE1 PHE 17 HE1 PHE 17 -8.820 5.251 -0.763 124 HE2 PHE 17 HE2 PHE 17 -6.660 1.594 -0.081 125 HZ PHE 17 HZ PHE 17 -6.995 3.685 -1.375 126 H ALA 18 H ALA 18 -12.110 4.693 3.747 127 HA ALA 18 HA ALA 18 -10.731 7.046 2.930 128 HB1 ALA 18 3HB ALA 18 -12.941 8.126 3.124 129 HB2 ALA 18 1HB ALA 18 -13.059 6.551 2.317 130 HB3 ALA 18 2HB ALA 18 -13.559 6.720 4.019 131 H THR 19 H THR 19 -11.823 5.976 6.126 132 HA THR 19 HA THR 19 -11.225 8.453 7.493 133 HB THR 19 HB THR 19 -11.450 5.836 8.965 134 HG1 THR 19 HG1 THR 19 -13.703 5.872 8.692 135 HG21 THR 19 3HG2 THR 19 -12.966 7.155 10.415 136 HG22 THR 19 1HG2 THR 19 -12.822 8.546 9.315 137 HG23 THR 19 2HG2 THR 19 -11.414 7.975 10.235 138 H ASP 20 H ASP 20 -9.152 5.987 6.404 139 HA ASP 20 HA ASP 20 -7.053 6.732 8.419 140 HB2 ASP 20 2HB ASP 20 -7.907 4.406 8.548 141 HB3 ASP 20 3HB ASP 20 -7.341 4.136 6.897 142 H VAL 21 H VAL 21 -7.491 5.772 4.991 143 HA VAL 21 HA VAL 21 -4.779 6.596 4.256 144 HB VAL 21 HB VAL 21 -7.075 5.677 2.482 145 HG11 VAL 21 1HG1 VAL 21 -5.356 5.110 0.872 146 HG12 VAL 21 2HG1 VAL 21 -5.243 6.821 1.259 147 HG13 VAL 21 3HG1 VAL 21 -4.079 5.680 1.966 148 HG21 VAL 21 3HG2 VAL 21 -6.020 3.452 2.534 149 HG22 VAL 21 1HG2 VAL 21 -4.835 4.025 3.732 150 HG23 VAL 21 2HG2 VAL 21 -6.561 3.914 4.140 151 H LEU 22 H LEU 22 -8.099 7.669 3.441 152 HA LEU 22 HA LEU 22 -7.050 9.960 1.954 153 HB2 LEU 22 2HB LEU 22 -9.944 9.276 2.496 154 HB3 LEU 22 3HB LEU 22 -9.315 10.377 1.281 155 HG LEU 22 HG LEU 22 -8.923 7.359 1.324 156 HD11 LEU 22 1HD1 LEU 22 -10.377 7.367 -0.646 157 HD12 LEU 22 2HD1 LEU 22 -10.552 9.132 -0.534 158 HD13 LEU 22 3HD1 LEU 22 -11.212 8.084 0.740 159 HD21 LEU 22 3HD2 LEU 22 -7.971 7.604 -0.930 160 HD22 LEU 22 1HD2 LEU 22 -6.971 8.431 0.261 161 HD23 LEU 22 2HD2 LEU 22 -8.058 9.370 -0.788 162 H SER 23 H SER 23 -7.914 9.486 5.215 163 HA SER 23 HA SER 23 -8.723 12.197 5.845 164 HB2 SER 23 2HB SER 23 -8.550 11.444 8.156 165 HB3 SER 23 3HB SER 23 -9.437 10.274 7.159 166 HG SER 23 HG SER 23 -7.934 9.184 8.423 167 H SER 24 H SER 24 -5.620 10.699 5.327 168 HA SER 24 HA SER 24 -4.161 12.208 7.309 169 HB2 SER 24 2HB SER 24 -3.687 9.870 6.746 170 HB3 SER 24 3HB SER 24 -3.148 10.391 5.134 171 HG SER 24 HG SER 24 -1.329 10.928 5.987 172 H ASN 25 H ASN 25 -3.032 14.024 7.113 173 HA ASN 25 HA ASN 25 -2.675 15.467 4.586 174 HB2 ASN 25 2HB ASN 25 -3.084 16.543 6.821 175 HB3 ASN 25 3HB ASN 25 -1.518 15.943 7.369 176 HD21 ASN 25 1HD2 ASN 25 -1.094 18.252 7.809 177 HD22 ASN 25 2HD2 ASN 25 -0.572 19.269 6.473 178 H LYS 26 H LYS 26 -0.820 13.233 6.562 179 HA LYS 26 HA LYS 26 1.735 13.614 5.106 180 HB2 LYS 26 2HB LYS 26 1.677 13.090 7.559 181 HB3 LYS 26 3HB LYS 26 0.887 11.556 7.189 182 HG2 LYS 26 2HG LYS 26 2.946 10.941 5.804 183 HG3 LYS 26 3HG LYS 26 3.694 12.436 6.376 184 HD2 LYS 26 2HD LYS 26 4.518 10.612 7.700 185 HD3 LYS 26 3HD LYS 26 3.452 11.573 8.742 186 HE2 LYS 26 2HE LYS 26 1.622 9.955 8.398 187 HE3 LYS 26 3HE LYS 26 2.576 9.084 7.203 188 HZ1 LYS 26 3HZ LYS 26 2.653 7.941 9.261 189 HZ2 LYS 26 1HZ LYS 26 3.177 9.253 10.104 190 HZ3 LYS 26 2HZ LYS 26 4.165 8.523 9.017 191 HA PRO 27 HA PRO 27 0.361 10.847 1.966 192 HB2 PRO 27 2HB PRO 27 2.804 9.699 1.100 193 HB3 PRO 27 3HB PRO 27 2.020 11.178 0.490 194 HG2 PRO 27 2HG PRO 27 4.235 10.899 2.481 195 HG3 PRO 27 3HG PRO 27 3.969 12.199 1.294 196 HD2 PRO 27 2HD PRO 27 3.430 12.481 3.963 197 HD3 PRO 27 3HD PRO 27 2.478 13.320 2.706 198 H VAL 28 H VAL 28 -0.261 8.797 1.617 199 HA VAL 28 HA VAL 28 0.535 6.721 3.605 200 HB VAL 28 HB VAL 28 -2.313 7.196 2.670 201 HG11 VAL 28 1HG1 VAL 28 -2.828 5.539 4.482 202 HG12 VAL 28 2HG1 VAL 28 -1.842 4.833 3.202 203 HG13 VAL 28 3HG1 VAL 28 -1.095 5.306 4.743 204 HG21 VAL 28 3HG2 VAL 28 -2.744 7.846 5.041 205 HG22 VAL 28 1HG2 VAL 28 -0.989 7.858 5.332 206 HG23 VAL 28 2HG2 VAL 28 -1.715 8.989 4.175 207 H LEU 29 H LEU 29 1.142 4.887 2.747 208 HA LEU 29 HA LEU 29 0.713 4.378 -0.161 209 HB2 LEU 29 2HB LEU 29 2.980 4.879 0.521 210 HB3 LEU 29 3HB LEU 29 2.960 3.620 1.730 211 HG LEU 29 HG LEU 29 4.212 3.287 -0.483 212 HD11 LEU 29 1HD1 LEU 29 3.915 1.477 1.122 213 HD12 LEU 29 2HD1 LEU 29 3.845 0.894 -0.544 214 HD13 LEU 29 3HD1 LEU 29 2.346 1.059 0.388 215 HD21 LEU 29 3HD2 LEU 29 3.118 2.426 -2.382 216 HD22 LEU 29 1HD2 LEU 29 2.248 3.897 -1.954 217 HD23 LEU 29 2HD2 LEU 29 1.551 2.316 -1.554 218 H VAL 30 H VAL 30 -0.772 2.840 -0.559 219 HA VAL 30 HA VAL 30 -1.356 0.810 1.552 220 HB VAL 30 HB VAL 30 -3.228 1.553 -0.692 221 HG11 VAL 30 1HG1 VAL 30 -3.596 0.197 2.024 222 HG12 VAL 30 2HG1 VAL 30 -4.894 0.564 0.876 223 HG13 VAL 30 3HG1 VAL 30 -3.652 -0.604 0.436 224 HG21 VAL 30 3HG2 VAL 30 -2.890 3.618 0.565 225 HG22 VAL 30 1HG2 VAL 30 -4.471 2.920 0.907 226 HG23 VAL 30 2HG2 VAL 30 -3.160 2.758 2.097 227 H ASP 31 H ASP 31 -0.733 -1.173 1.201 228 HA ASP 31 HA ASP 31 -0.163 -2.232 -1.509 229 HB2 ASP 31 2HB ASP 31 1.516 -2.567 0.158 230 HB3 ASP 31 3HB ASP 31 0.357 -3.192 1.322 231 H PHE 32 H PHE 32 -1.871 -2.952 -2.581 232 HA PHE 32 HA PHE 32 -4.149 -4.304 -1.273 233 HB2 PHE 32 2HB PHE 32 -3.568 -3.532 -4.147 234 HB3 PHE 32 3HB PHE 32 -4.940 -4.503 -3.659 235 HD1 PHE 32 HD2 PHE 32 -3.314 -1.183 -2.827 236 HD2 PHE 32 HD1 PHE 32 -6.970 -3.448 -3.171 237 HE1 PHE 32 HE2 PHE 32 -4.647 0.852 -2.359 238 HE2 PHE 32 HE1 PHE 32 -8.277 -1.378 -2.793 239 HZ PHE 32 HZ PHE 32 -7.089 0.803 -2.460 240 H TRP 33 H TRP 33 -3.947 -6.349 -0.745 241 HA TRP 33 HA TRP 33 -2.214 -8.202 -2.299 242 HB2 TRP 33 2HB TRP 33 -0.764 -8.569 -0.534 243 HB3 TRP 33 3HB TRP 33 -1.004 -6.840 -0.428 244 HD1 TRP 33 HD1 TRP 33 -3.097 -6.195 1.429 245 HE1 TRP 33 HE1 TRP 33 -3.716 -7.289 3.673 246 HE3 TRP 33 HE3 TRP 33 -0.384 -10.523 0.995 247 HZ2 TRP 33 HZ2 TRP 33 -2.964 -9.632 5.163 248 HZ3 TRP 33 HZ3 TRP 33 -0.332 -12.152 2.866 249 HH2 TRP 33 HH2 TRP 33 -1.623 -11.732 4.944 250 H ALA 34 H ALA 34 -2.241 -10.433 -1.391 251 HA ALA 34 HA ALA 34 -4.278 -11.150 0.547 252 HB1 ALA 34 3HB ALA 34 -4.417 -12.310 -2.269 253 HB2 ALA 34 1HB ALA 34 -5.351 -12.866 -0.864 254 HB3 ALA 34 2HB ALA 34 -5.631 -11.249 -1.518 255 H THR 35 H THR 35 -3.944 -13.251 1.431 256 HA THR 35 HA THR 35 -1.203 -14.006 1.560 257 HB THR 35 HB THR 35 -2.846 -14.242 3.397 258 HG1 THR 35 HG1 THR 35 -1.909 -16.139 4.151 259 HG21 THR 35 3HG2 THR 35 -3.688 -16.823 2.004 260 HG22 THR 35 1HG2 THR 35 -4.700 -15.367 2.137 261 HG23 THR 35 2HG2 THR 35 -4.209 -16.241 3.596 262 H TRP 36 H TRP 36 -3.623 -15.014 -0.686 263 HA TRP 36 HA TRP 36 -2.334 -17.512 -1.445 264 HB2 TRP 36 2HB TRP 36 -3.958 -17.477 -3.318 265 HB3 TRP 36 3HB TRP 36 -4.634 -17.441 -1.714 266 HD1 TRP 36 HD1 TRP 36 -6.487 -15.810 -1.285 267 HE1 TRP 36 HE1 TRP 36 -7.657 -13.964 -2.573 268 HE3 TRP 36 HE3 TRP 36 -3.086 -15.185 -5.101 269 HZ2 TRP 36 HZ2 TRP 36 -7.200 -12.378 -4.929 270 HZ3 TRP 36 HZ3 TRP 36 -3.460 -13.400 -6.795 271 HH2 TRP 36 HH2 TRP 36 -5.539 -12.053 -6.765 272 H CYS 37 H CYS 37 -1.264 -14.387 -1.961 273 HA CYS 37 HA CYS 37 -0.103 -15.016 -4.640 274 HB2 CYS 37 2HB CYS 37 -1.622 -13.093 -4.451 275 HB3 CYS 37 3HB CYS 37 -0.568 -12.381 -3.226 276 HG CYS 37 HG CYS 37 0.050 -13.151 -6.407 277 H GLY 38 H GLY 38 1.845 -15.951 -4.454 278 HA2 GLY 38 2HA GLY 38 3.791 -15.610 -2.423 279 HA3 GLY 38 3HA GLY 38 4.105 -16.158 -4.067 280 HA PRO 39 HA PRO 39 5.716 -12.030 -5.089 281 HB2 PRO 39 2HB PRO 39 3.178 -11.141 -6.425 282 HB3 PRO 39 3HB PRO 39 4.868 -10.901 -6.966 283 HG2 PRO 39 2HG PRO 39 3.400 -12.888 -8.057 284 HG3 PRO 39 3HG PRO 39 5.088 -13.221 -7.542 285 HD2 PRO 39 2HD PRO 39 2.517 -13.894 -6.104 286 HD3 PRO 39 3HD PRO 39 3.986 -14.881 -6.310 287 H CYS 40 H CYS 40 2.363 -11.818 -3.731 288 HA CYS 40 HA CYS 40 2.793 -9.233 -2.465 289 HB2 CYS 40 2HB CYS 40 0.891 -11.501 -1.728 290 HB3 CYS 40 3HB CYS 40 0.981 -9.942 -0.916 291 HG CYS 40 HG CYS 40 0.441 -10.466 -4.145 292 H LYS 41 H LYS 41 3.281 -12.636 -1.368 293 HA LYS 41 HA LYS 41 4.360 -11.956 1.205 294 HB2 LYS 41 2HB LYS 41 5.054 -14.372 -0.522 295 HB3 LYS 41 3HB LYS 41 5.389 -14.209 1.190 296 HG2 LYS 41 2HG LYS 41 2.595 -14.249 -0.018 297 HG3 LYS 41 3HG LYS 41 3.426 -15.641 0.668 298 HD2 LYS 41 2HD LYS 41 3.443 -14.620 2.895 299 HD3 LYS 41 3HD LYS 41 2.816 -13.102 2.238 300 HE2 LYS 41 2HE LYS 41 0.950 -14.147 3.202 301 HE3 LYS 41 3HE LYS 41 0.781 -14.307 1.445 302 HZ1 LYS 41 3HZ LYS 41 1.470 -16.606 1.628 303 HZ2 LYS 41 1HZ LYS 41 0.230 -16.337 2.653 304 HZ3 LYS 41 2HZ LYS 41 1.752 -16.466 3.244 305 H MET 42 H MET 42 6.071 -12.152 -1.928 306 HA MET 42 HA MET 42 8.623 -11.695 -0.627 307 HB2 MET 42 2HB MET 42 9.656 -12.034 -2.610 308 HB3 MET 42 3HB MET 42 8.194 -13.000 -2.787 309 HG2 MET 42 2HG MET 42 7.203 -10.984 -4.016 310 HG3 MET 42 3HG MET 42 8.816 -10.290 -4.020 311 HE1 MET 42 3HE MET 42 10.835 -11.160 -5.408 312 HE2 MET 42 1HE MET 42 10.768 -12.745 -4.602 313 HE3 MET 42 2HE MET 42 10.830 -12.653 -6.372 314 H VAL 43 H VAL 43 6.314 -9.415 -2.160 315 HA VAL 43 HA VAL 43 8.251 -7.210 -1.801 316 HB VAL 43 HB VAL 43 6.564 -7.367 -3.670 317 HG11 VAL 43 1HG1 VAL 43 4.635 -6.248 -1.596 318 HG12 VAL 43 2HG1 VAL 43 4.366 -6.390 -3.337 319 HG13 VAL 43 3HG1 VAL 43 4.535 -7.849 -2.349 320 HG21 VAL 43 3HG2 VAL 43 7.911 -5.361 -3.210 321 HG22 VAL 43 1HG2 VAL 43 6.301 -4.957 -3.835 322 HG23 VAL 43 2HG2 VAL 43 6.657 -4.764 -2.110 323 H ALA 44 H ALA 44 5.685 -8.598 0.160 324 HA ALA 44 HA ALA 44 5.058 -6.580 1.907 325 HB1 ALA 44 3HB ALA 44 5.574 -9.510 2.542 326 HB2 ALA 44 1HB ALA 44 4.716 -8.366 3.595 327 HB3 ALA 44 2HB ALA 44 4.050 -8.775 2.006 328 HA PRO 45 HA PRO 45 8.926 -7.083 4.702 329 HB2 PRO 45 2HB PRO 45 11.274 -8.073 3.652 330 HB3 PRO 45 3HB PRO 45 10.056 -9.060 4.515 331 HG2 PRO 45 2HG PRO 45 10.353 -8.677 1.518 332 HG3 PRO 45 3HG PRO 45 10.186 -10.218 2.424 333 HD2 PRO 45 2HD PRO 45 8.047 -9.099 1.276 334 HD3 PRO 45 3HD PRO 45 7.902 -9.782 2.916 335 H VAL 46 H VAL 46 9.294 -6.294 1.234 336 HA VAL 46 HA VAL 46 11.358 -4.292 1.642 337 HB VAL 46 HB VAL 46 9.420 -4.484 -0.704 338 HG11 VAL 46 1HG1 VAL 46 11.174 -3.269 -1.891 339 HG12 VAL 46 2HG1 VAL 46 10.649 -2.321 -0.490 340 HG13 VAL 46 3HG1 VAL 46 12.152 -3.244 -0.389 341 HG21 VAL 46 3HG2 VAL 46 12.176 -5.745 -0.324 342 HG22 VAL 46 1HG2 VAL 46 10.635 -6.615 -0.502 343 HG23 VAL 46 2HG2 VAL 46 11.273 -5.683 -1.853 344 H LEU 47 H LEU 47 7.807 -4.104 1.126 345 HA LEU 47 HA LEU 47 7.754 -1.263 1.670 346 HB2 LEU 47 2HB LEU 47 5.372 -1.397 1.445 347 HB3 LEU 47 3HB LEU 47 6.206 -2.255 0.169 348 HG LEU 47 HG LEU 47 5.734 -4.383 1.724 349 HD11 LEU 47 1HD1 LEU 47 3.527 -4.247 2.786 350 HD12 LEU 47 2HD1 LEU 47 3.422 -2.518 2.400 351 HD13 LEU 47 3HD1 LEU 47 4.634 -3.107 3.558 352 HD21 LEU 47 3HD2 LEU 47 3.680 -4.768 0.426 353 HD22 LEU 47 1HD2 LEU 47 4.995 -4.138 -0.570 354 HD23 LEU 47 2HD2 LEU 47 3.684 -3.055 -0.066 355 H GLU 48 H GLU 48 7.446 -4.089 3.800 356 HA GLU 48 HA GLU 48 6.659 -2.605 6.141 357 HB2 GLU 48 2HB GLU 48 6.419 -5.040 5.920 358 HB3 GLU 48 3HB GLU 48 8.183 -5.216 5.852 359 HG2 GLU 48 2HG GLU 48 8.359 -4.343 8.161 360 HG3 GLU 48 3HG GLU 48 6.613 -4.067 8.185 361 H GLU 49 H GLU 49 9.957 -3.433 4.847 362 HA GLU 49 HA GLU 49 11.374 -2.065 6.948 363 HB2 GLU 49 2HB GLU 49 12.065 -2.760 4.070 364 HB3 GLU 49 3HB GLU 49 13.122 -1.769 5.080 365 HG2 GLU 49 2HG GLU 49 13.207 -3.548 6.787 366 HG3 GLU 49 3HG GLU 49 12.193 -4.578 5.790 367 H ILE 50 H ILE 50 10.204 -0.869 3.736 368 HA ILE 50 HA ILE 50 11.114 1.816 4.180 369 HB ILE 50 HB ILE 50 8.914 0.726 2.393 370 HG12 ILE 50 2HG1 ILE 50 11.732 1.741 1.765 371 HG13 ILE 50 3HG1 ILE 50 11.333 0.043 1.973 372 HG21 ILE 50 1HG2 ILE 50 10.086 3.548 2.522 373 HG22 ILE 50 2HG2 ILE 50 9.062 2.944 1.210 374 HG23 ILE 50 3HG2 ILE 50 8.397 3.081 2.827 375 HD11 ILE 50 3HD1 ILE 50 11.424 0.413 -0.356 376 HD12 ILE 50 1HD1 ILE 50 9.702 0.250 0.046 377 HD13 ILE 50 2HD1 ILE 50 10.415 1.858 -0.265 378 H ALA 51 H ALA 51 8.003 0.254 5.115 379 HA ALA 51 HA ALA 51 6.744 2.511 6.253 380 HB1 ALA 51 3HB ALA 51 5.817 0.137 5.940 381 HB2 ALA 51 1HB ALA 51 6.694 -0.326 7.390 382 HB3 ALA 51 2HB ALA 51 5.442 0.908 7.504 383 H THR 52 H THR 52 8.990 0.187 7.779 384 HA THR 52 HA THR 52 8.716 1.376 10.401 385 HB THR 52 HB THR 52 10.705 -0.702 9.424 386 HG1 THR 52 HG1 THR 52 8.735 -1.495 9.061 387 HG21 THR 52 3HG2 THR 52 11.302 0.153 11.663 388 HG22 THR 52 1HG2 THR 52 10.615 -1.472 11.788 389 HG23 THR 52 2HG2 THR 52 9.620 -0.060 12.208 390 H GLU 53 H GLU 53 11.158 1.677 7.839 391 HA GLU 53 HA GLU 53 12.883 3.371 9.508 392 HB2 GLU 53 2HB GLU 53 12.999 2.703 6.543 393 HB3 GLU 53 3HB GLU 53 14.226 3.576 7.472 394 HG2 GLU 53 2HG GLU 53 14.263 1.513 9.045 395 HG3 GLU 53 3HG GLU 53 13.398 0.663 7.789 396 H ARG 54 H ARG 54 10.405 3.967 7.008 397 HA ARG 54 HA ARG 54 10.930 6.909 7.199 398 HB2 ARG 54 2HB ARG 54 9.431 5.516 4.977 399 HB3 ARG 54 3HB ARG 54 9.996 7.166 5.033 400 HG2 ARG 54 2HG ARG 54 11.641 4.651 4.678 401 HG3 ARG 54 3HG ARG 54 11.437 5.990 3.570 402 HD2 ARG 54 2HD ARG 54 13.146 5.831 6.061 403 HD3 ARG 54 3HD ARG 54 13.624 6.188 4.402 404 HE ARG 54 HE ARG 54 11.821 8.203 5.577 405 HH11 ARG 54 1HH1 ARG 54 15.253 7.371 5.408 406 HH12 ARG 54 2HH1 ARG 54 15.684 9.045 5.730 407 HH21 ARG 54 1HH2 ARG 54 12.475 10.110 6.114 408 HH22 ARG 54 2HH2 ARG 54 14.207 10.513 6.178 409 H ALA 55 H ALA 55 9.319 5.405 9.173 410 HA ALA 55 HA ALA 55 6.578 5.898 8.926 411 HB1 ALA 55 3HB ALA 55 6.560 5.772 11.390 412 HB2 ALA 55 1HB ALA 55 7.637 4.545 10.700 413 HB3 ALA 55 2HB ALA 55 8.319 6.018 11.429 414 H THR 56 H THR 56 9.105 8.252 9.749 415 HA THR 56 HA THR 56 7.412 10.421 10.559 416 HB THR 56 HB THR 56 10.137 10.610 9.220 417 HG1 THR 56 HG1 THR 56 10.975 10.365 11.297 418 HG21 THR 56 3HG2 THR 56 10.442 12.531 10.787 419 HG22 THR 56 1HG2 THR 56 8.759 12.338 11.328 420 HG23 THR 56 2HG2 THR 56 9.120 12.807 9.651 421 H ASP 57 H ASP 57 8.268 9.169 7.389 422 HA ASP 57 HA ASP 57 7.345 11.626 5.980 423 HB2 ASP 57 2HB ASP 57 8.680 9.177 4.795 424 HB3 ASP 57 3HB ASP 57 8.530 10.784 4.096 425 H LEU 58 H LEU 58 6.658 8.178 6.325 426 HA LEU 58 HA LEU 58 4.216 8.359 4.611 427 HB2 LEU 58 2HB LEU 58 6.215 6.075 4.910 428 HB3 LEU 58 3HB LEU 58 4.713 5.979 4.004 429 HG LEU 58 HG LEU 58 7.071 7.769 3.313 430 HD11 LEU 58 1HD1 LEU 58 7.379 6.213 1.425 431 HD12 LEU 58 2HD1 LEU 58 6.050 5.199 2.030 432 HD13 LEU 58 3HD1 LEU 58 7.541 5.385 2.980 433 HD21 LEU 58 3HD2 LEU 58 5.887 8.105 1.156 434 HD22 LEU 58 1HD2 LEU 58 4.939 8.733 2.508 435 HD23 LEU 58 2HD2 LEU 58 4.495 7.180 1.768 436 H THR 59 H THR 59 2.464 7.117 5.227 437 HA THR 59 HA THR 59 2.842 5.229 7.533 438 HB THR 59 HB THR 59 0.238 6.495 6.628 439 HG1 THR 59 HG1 THR 59 0.252 7.202 8.790 440 HG21 THR 59 3HG2 THR 59 -0.765 5.213 8.516 441 HG22 THR 59 1HG2 THR 59 0.772 4.345 8.730 442 HG23 THR 59 2HG2 THR 59 -0.180 4.146 7.238 443 H VAL 60 H VAL 60 2.682 3.091 6.960 444 HA VAL 60 HA VAL 60 1.923 2.522 4.121 445 HB VAL 60 HB VAL 60 3.848 1.028 5.869 446 HG11 VAL 60 1HG1 VAL 60 4.307 -0.294 3.779 447 HG12 VAL 60 2HG1 VAL 60 2.693 -0.575 4.431 448 HG13 VAL 60 3HG1 VAL 60 2.898 0.483 3.023 449 HG21 VAL 60 3HG2 VAL 60 4.245 2.699 3.342 450 HG22 VAL 60 1HG2 VAL 60 4.813 3.116 4.968 451 HG23 VAL 60 2HG2 VAL 60 5.504 1.728 4.116 452 H ALA 61 H ALA 61 0.160 1.457 3.820 453 HA ALA 61 HA ALA 61 -1.075 -0.114 6.028 454 HB1 ALA 61 3HB ALA 61 -2.204 2.039 5.641 455 HB2 ALA 61 1HB ALA 61 -2.429 1.616 3.932 456 HB3 ALA 61 2HB ALA 61 -3.248 0.678 5.198 457 H LYS 62 H LYS 62 -2.550 -1.795 5.349 458 HA LYS 62 HA LYS 62 -2.102 -2.962 2.626 459 HB2 LYS 62 2HB LYS 62 -2.078 -4.213 5.364 460 HB3 LYS 62 3HB LYS 62 -2.710 -5.149 4.015 461 HG2 LYS 62 2HG LYS 62 -0.642 -4.928 2.778 462 HG3 LYS 62 3HG LYS 62 0.052 -3.862 4.018 463 HD2 LYS 62 2HD LYS 62 0.005 -5.631 5.673 464 HD3 LYS 62 3HD LYS 62 -0.881 -6.713 4.602 465 HE2 LYS 62 2HE LYS 62 1.938 -5.673 4.065 466 HE3 LYS 62 3HE LYS 62 1.561 -7.224 4.824 467 HZ1 LYS 62 3HZ LYS 62 0.285 -7.767 2.753 468 HZ2 LYS 62 1HZ LYS 62 1.897 -7.608 2.506 469 HZ3 LYS 62 2HZ LYS 62 0.896 -6.417 2.040 470 H LEU 63 H LEU 63 -3.817 -3.529 1.479 471 HA LEU 63 HA LEU 63 -6.508 -3.666 2.781 472 HB2 LEU 63 2HB LEU 63 -6.315 -1.729 1.239 473 HB3 LEU 63 3HB LEU 63 -5.858 -2.800 -0.068 474 HG LEU 63 HG LEU 63 -8.174 -2.005 -0.204 475 HD11 LEU 63 1HD1 LEU 63 -9.219 -4.031 -0.855 476 HD12 LEU 63 2HD1 LEU 63 -8.311 -4.985 0.311 477 HD13 LEU 63 3HD1 LEU 63 -7.483 -4.292 -1.084 478 HD21 LEU 63 3HD2 LEU 63 -8.648 -1.861 2.224 479 HD22 LEU 63 1HD2 LEU 63 -8.752 -3.633 2.301 480 HD23 LEU 63 2HD2 LEU 63 -9.910 -2.708 1.329 481 H ASP 64 H ASP 64 -7.090 -5.636 3.020 482 HA ASP 64 HA ASP 64 -5.850 -7.869 1.633 483 HB2 ASP 64 2HB ASP 64 -8.040 -7.619 3.738 484 HB3 ASP 64 3HB ASP 64 -7.439 -9.145 3.106 485 H VAL 65 H VAL 65 -6.486 -7.935 -0.546 486 HA VAL 65 HA VAL 65 -9.091 -7.115 -1.428 487 HB VAL 65 HB VAL 65 -8.532 -7.851 -3.619 488 HG11 VAL 65 1HG1 VAL 65 -6.012 -6.743 -2.326 489 HG12 VAL 65 2HG1 VAL 65 -6.486 -6.619 -4.034 490 HG13 VAL 65 3HG1 VAL 65 -7.440 -5.800 -2.792 491 HG21 VAL 65 3HG2 VAL 65 -7.509 -10.070 -3.165 492 HG22 VAL 65 1HG2 VAL 65 -6.558 -9.065 -4.256 493 HG23 VAL 65 2HG2 VAL 65 -6.053 -9.242 -2.568 494 H ASP 66 H ASP 66 -8.068 -10.099 -0.139 495 HA ASP 66 HA ASP 66 -10.034 -11.827 -1.400 496 HB2 ASP 66 2HB ASP 66 -7.825 -12.527 -0.404 497 HB3 ASP 66 3HB ASP 66 -8.498 -12.219 1.197 498 H THR 67 H THR 67 -10.107 -9.641 1.338 499 HA THR 67 HA THR 67 -12.902 -10.487 2.005 500 HB THR 67 HB THR 67 -12.497 -9.479 4.240 501 HG1 THR 67 HG1 THR 67 -10.309 -9.200 4.827 502 HG21 THR 67 3HG2 THR 67 -11.203 -11.329 5.151 503 HG22 THR 67 1HG2 THR 67 -10.535 -11.710 3.548 504 HG23 THR 67 2HG2 THR 67 -12.268 -11.933 3.871 505 H ASN 68 H ASN 68 -10.952 -7.832 0.849 506 HA ASN 68 HA ASN 68 -13.376 -6.075 0.908 507 HB2 ASN 68 2HB ASN 68 -10.457 -5.262 0.946 508 HB3 ASN 68 3HB ASN 68 -11.850 -4.191 1.043 509 HD21 ASN 68 1HD2 ASN 68 -9.958 -6.632 2.769 510 HD22 ASN 68 2HD2 ASN 68 -10.560 -6.196 4.359 511 HA PRO 69 HA PRO 69 -12.101 -6.963 -3.552 512 HB2 PRO 69 2HB PRO 69 -14.489 -7.891 -4.517 513 HB3 PRO 69 3HB PRO 69 -13.282 -8.941 -3.713 514 HG2 PRO 69 2HG PRO 69 -15.724 -7.630 -2.466 515 HG3 PRO 69 3HG PRO 69 -15.223 -9.350 -2.369 516 HD2 PRO 69 2HD PRO 69 -14.616 -7.600 -0.393 517 HD3 PRO 69 3HD PRO 69 -13.436 -8.846 -0.907 518 H GLU 70 H GLU 70 -14.781 -5.291 -1.963 519 HA GLU 70 HA GLU 70 -15.609 -3.619 -4.137 520 HB2 GLU 70 2HB GLU 70 -15.672 -3.140 -1.132 521 HB3 GLU 70 3HB GLU 70 -16.541 -2.182 -2.337 522 HG2 GLU 70 2HG GLU 70 -16.992 -5.140 -1.728 523 HG3 GLU 70 3HG GLU 70 -18.014 -3.803 -1.217 524 H THR 71 H THR 71 -13.101 -3.106 -1.593 525 HA THR 71 HA THR 71 -12.284 -0.520 -2.586 526 HB THR 71 HB THR 71 -10.416 -2.271 -1.064 527 HG1 THR 71 HG1 THR 71 -12.826 -1.146 -0.134 528 HG21 THR 71 3HG2 THR 71 -9.935 -0.169 0.113 529 HG22 THR 71 1HG2 THR 71 -11.204 0.665 -0.807 530 HG23 THR 71 2HG2 THR 71 -9.753 0.061 -1.635 531 H ALA 72 H ALA 72 -11.195 -3.854 -3.224 532 HA ALA 72 HA ALA 72 -8.954 -3.224 -4.879 533 HB1 ALA 72 3HB ALA 72 -9.080 -5.522 -5.557 534 HB2 ALA 72 1HB ALA 72 -9.508 -5.443 -3.837 535 HB3 ALA 72 2HB ALA 72 -10.779 -5.650 -5.058 536 H ARG 73 H ARG 73 -12.397 -3.840 -5.819 537 HA ARG 73 HA ARG 73 -11.793 -3.276 -8.599 538 HB2 ARG 73 2HB ARG 73 -14.006 -3.808 -9.106 539 HB3 ARG 73 3HB ARG 73 -13.526 -4.896 -7.805 540 HG2 ARG 73 2HG ARG 73 -14.728 -3.359 -6.186 541 HG3 ARG 73 3HG ARG 73 -15.294 -2.415 -7.571 542 HD2 ARG 73 2HD ARG 73 -16.370 -4.497 -8.492 543 HD3 ARG 73 3HD ARG 73 -15.846 -5.366 -7.048 544 HE ARG 73 HE ARG 73 -17.513 -4.377 -5.786 545 HH11 ARG 73 1HH1 ARG 73 -17.532 -2.783 -8.922 546 HH12 ARG 73 2HH1 ARG 73 -18.978 -1.889 -8.543 547 HH21 ARG 73 1HH2 ARG 73 -19.220 -3.099 -5.321 548 HH22 ARG 73 2HH2 ARG 73 -19.942 -2.101 -6.568 549 H ASN 74 H ASN 74 -12.859 -1.182 -5.991 550 HA ASN 74 HA ASN 74 -13.973 0.940 -7.447 551 HB2 ASN 74 2HB ASN 74 -13.958 0.772 -4.989 552 HB3 ASN 74 3HB ASN 74 -12.212 1.034 -4.952 553 HD21 ASN 74 1HD2 ASN 74 -11.440 3.208 -5.060 554 HD22 ASN 74 2HD2 ASN 74 -12.547 4.557 -5.211 555 H PHE 75 H PHE 75 -10.504 0.335 -6.835 556 HA PHE 75 HA PHE 75 -9.751 2.490 -8.758 557 HB2 PHE 75 2HB PHE 75 -7.985 0.921 -6.869 558 HB3 PHE 75 3HB PHE 75 -7.544 2.349 -7.789 559 HD1 PHE 75 HD2 PHE 75 -8.736 4.575 -7.228 560 HD2 PHE 75 HD1 PHE 75 -8.873 1.098 -4.678 561 HE1 PHE 75 HE2 PHE 75 -9.365 6.009 -5.298 562 HE2 PHE 75 HE1 PHE 75 -9.512 2.533 -2.755 563 HZ PHE 75 HZ PHE 75 -9.754 4.990 -3.062 564 H GLN 76 H GLN 76 -10.684 -0.504 -9.199 565 HA GLN 76 HA GLN 76 -10.118 -2.438 -10.104 566 HB2 GLN 76 2HB GLN 76 -9.847 -2.517 -12.390 567 HB3 GLN 76 3HB GLN 76 -10.866 -1.134 -11.988 568 HG2 GLN 76 2HG GLN 76 -8.962 0.379 -12.316 569 HG3 GLN 76 3HG GLN 76 -7.906 -0.994 -12.621 570 HE21 GLN 76 1HE2 GLN 76 -7.704 0.697 -14.624 571 HE22 GLN 76 2HE2 GLN 76 -8.716 0.251 -15.989 572 H VAL 77 H VAL 77 -8.177 -1.714 -8.271 573 HA VAL 77 HA VAL 77 -5.597 -2.792 -9.220 574 HB VAL 77 HB VAL 77 -4.824 -2.382 -6.920 575 HG11 VAL 77 1HG1 VAL 77 -4.797 0.023 -7.047 576 HG12 VAL 77 2HG1 VAL 77 -4.716 -0.632 -8.702 577 HG13 VAL 77 3HG1 VAL 77 -6.232 0.037 -8.090 578 HG21 VAL 77 3HG2 VAL 77 -7.622 -1.247 -6.432 579 HG22 VAL 77 1HG2 VAL 77 -6.896 -2.652 -5.644 580 HG23 VAL 77 2HG2 VAL 77 -6.214 -1.038 -5.381 581 H VAL 78 H VAL 78 -7.691 -4.505 -9.623 582 HA VAL 78 HA VAL 78 -7.997 -6.417 -7.463 583 HB VAL 78 HB VAL 78 -9.265 -7.742 -9.091 584 HG11 VAL 78 1HG1 VAL 78 -10.042 -4.796 -9.069 585 HG12 VAL 78 2HG1 VAL 78 -11.126 -6.172 -9.363 586 HG13 VAL 78 3HG1 VAL 78 -10.368 -5.974 -7.777 587 HG21 VAL 78 3HG2 VAL 78 -9.811 -6.871 -11.316 588 HG22 VAL 78 1HG2 VAL 78 -8.687 -5.518 -11.108 589 HG23 VAL 78 2HG2 VAL 78 -8.079 -7.188 -11.198 590 H SER 79 H SER 79 -5.802 -6.126 -10.163 591 HA SER 79 HA SER 79 -4.549 -8.768 -9.768 592 HB2 SER 79 2HB SER 79 -3.612 -6.317 -11.311 593 HB3 SER 79 3HB SER 79 -2.819 -7.905 -11.294 594 HG SER 79 HG SER 79 -4.213 -7.643 -13.112 595 H ILE 80 H ILE 80 -2.674 -9.127 -8.575 596 HA ILE 80 HA ILE 80 -1.711 -6.912 -6.855 597 HB ILE 80 HB ILE 80 -1.962 -8.378 -4.872 598 HG12 ILE 80 2HG1 ILE 80 -3.622 -10.236 -6.596 599 HG13 ILE 80 3HG1 ILE 80 -1.992 -10.567 -5.992 600 HG21 ILE 80 1HG2 ILE 80 -4.257 -7.876 -4.473 601 HG22 ILE 80 2HG2 ILE 80 -3.656 -6.618 -5.550 602 HG23 ILE 80 3HG2 ILE 80 -4.653 -7.933 -6.201 603 HD11 ILE 80 3HD1 ILE 80 -3.425 -11.617 -4.435 604 HD12 ILE 80 1HD1 ILE 80 -2.898 -10.138 -3.642 605 HD13 ILE 80 2HD1 ILE 80 -4.523 -10.231 -4.368 606 HA PRO 81 HA PRO 81 -0.324 -7.005 -4.717 607 HB2 PRO 81 2HB PRO 81 2.153 -5.913 -4.393 608 HB3 PRO 81 3HB PRO 81 1.694 -7.490 -3.704 609 HG2 PRO 81 2HG PRO 81 3.173 -6.941 -6.291 610 HG3 PRO 81 3HG PRO 81 3.605 -8.112 -5.005 611 HD2 PRO 81 2HD PRO 81 2.282 -8.907 -7.234 612 HD3 PRO 81 3HD PRO 81 1.859 -9.580 -5.630 613 H THR 82 H THR 82 -0.925 -4.898 -4.842 614 HA THR 82 HA THR 82 0.310 -3.146 -6.909 615 HB THR 82 HB THR 82 -2.682 -3.370 -6.459 616 HG1 THR 82 HG1 THR 82 -2.377 -4.631 -8.117 617 HG21 THR 82 3HG2 THR 82 -1.009 -1.322 -7.990 618 HG22 THR 82 1HG2 THR 82 -2.196 -0.999 -6.699 619 HG23 THR 82 2HG2 THR 82 -2.727 -1.596 -8.283 620 H LEU 83 H LEU 83 1.133 -1.432 -6.039 621 HA LEU 83 HA LEU 83 0.389 -0.622 -3.262 622 HB2 LEU 83 2HB LEU 83 2.989 -0.467 -4.823 623 HB3 LEU 83 3HB LEU 83 2.695 0.406 -3.332 624 HG LEU 83 HG LEU 83 2.405 -1.716 -2.096 625 HD11 LEU 83 1HD1 LEU 83 3.215 -3.024 -4.736 626 HD12 LEU 83 2HD1 LEU 83 1.752 -3.347 -3.769 627 HD13 LEU 83 3HD1 LEU 83 3.320 -3.819 -3.148 628 HD21 LEU 83 3HD2 LEU 83 4.979 -1.490 -3.712 629 HD22 LEU 83 1HD2 LEU 83 4.803 -2.307 -2.150 630 HD23 LEU 83 2HD2 LEU 83 4.587 -0.556 -2.249 631 H ILE 84 H ILE 84 -0.744 1.253 -3.175 632 HA ILE 84 HA ILE 84 -0.293 3.328 -5.293 633 HB ILE 84 HB ILE 84 -2.559 2.259 -5.427 634 HG12 ILE 84 2HG1 ILE 84 -2.569 5.211 -4.641 635 HG13 ILE 84 3HG1 ILE 84 -2.039 4.583 -6.205 636 HG21 ILE 84 1HG2 ILE 84 -4.227 2.636 -3.761 637 HG22 ILE 84 2HG2 ILE 84 -2.833 1.829 -3.021 638 HG23 ILE 84 3HG2 ILE 84 -3.092 3.557 -2.752 639 HD11 ILE 84 3HD1 ILE 84 -4.288 5.414 -6.417 640 HD12 ILE 84 1HD1 ILE 84 -4.334 3.644 -6.572 641 HD13 ILE 84 2HD1 ILE 84 -4.854 4.425 -5.063 642 H LEU 85 H LEU 85 0.299 5.324 -4.666 643 HA LEU 85 HA LEU 85 0.367 5.912 -1.739 644 HB2 LEU 85 2HB LEU 85 2.549 5.828 -2.870 645 HB3 LEU 85 3HB LEU 85 2.072 7.113 -3.945 646 HG LEU 85 HG LEU 85 1.846 7.577 -0.954 647 HD11 LEU 85 1HD1 LEU 85 4.048 6.554 -1.183 648 HD12 LEU 85 2HD1 LEU 85 4.211 8.280 -0.856 649 HD13 LEU 85 3HD1 LEU 85 4.463 7.668 -2.508 650 HD21 LEU 85 3HD2 LEU 85 2.704 9.351 -3.279 651 HD22 LEU 85 1HD2 LEU 85 2.588 9.863 -1.580 652 HD23 LEU 85 2HD2 LEU 85 1.134 9.398 -2.455 653 H PHE 86 H PHE 86 -1.010 7.300 -0.986 654 HA PHE 86 HA PHE 86 -2.210 9.425 -2.709 655 HB2 PHE 86 2HB PHE 86 -3.094 8.339 -0.007 656 HB3 PHE 86 3HB PHE 86 -3.832 9.696 -0.840 657 HD1 PHE 86 HD2 PHE 86 -3.348 6.013 -0.904 658 HD2 PHE 86 HD1 PHE 86 -5.411 9.372 -2.643 659 HE1 PHE 86 HE2 PHE 86 -4.942 4.474 -2.022 660 HE2 PHE 86 HE1 PHE 86 -6.944 7.823 -3.830 661 HZ PHE 86 HZ PHE 86 -6.703 5.364 -3.523 662 H LYS 87 H LYS 87 -1.920 11.573 -2.116 663 HA LYS 87 HA LYS 87 -0.405 12.194 0.371 664 HB2 LYS 87 2HB LYS 87 1.009 12.221 -1.746 665 HB3 LYS 87 3HB LYS 87 0.083 13.656 -2.227 666 HG2 LYS 87 2HG LYS 87 0.917 14.918 -0.349 667 HG3 LYS 87 3HG LYS 87 1.600 13.466 0.407 668 HD2 LYS 87 2HD LYS 87 3.107 13.173 -1.583 669 HD3 LYS 87 3HD LYS 87 2.521 14.704 -2.234 670 HE2 LYS 87 2HE LYS 87 3.940 14.343 0.452 671 HE3 LYS 87 3HE LYS 87 4.742 14.792 -1.050 672 HZ1 LYS 87 3HZ LYS 87 3.359 16.806 -1.121 673 HZ2 LYS 87 1HZ LYS 87 4.223 16.759 0.260 674 HZ3 LYS 87 2HZ LYS 87 2.630 16.408 0.290 675 H ASP 88 H ASP 88 -1.352 13.777 1.570 676 HA ASP 88 HA ASP 88 -3.183 14.804 2.402 677 HB2 ASP 88 2HB ASP 88 -2.002 16.635 1.236 678 HB3 ASP 88 3HB ASP 88 -3.056 16.410 -0.160 679 H GLY 89 H GLY 89 -3.864 12.380 1.323 680 HA2 GLY 89 2HA GLY 89 -5.637 11.072 0.801 681 HA3 GLY 89 3HA GLY 89 -6.701 12.442 1.100 682 H GLN 90 H GLN 90 -4.361 12.803 -1.513 683 HA GLN 90 HA GLN 90 -6.365 11.899 -3.540 684 HB2 GLN 90 2HB GLN 90 -4.527 14.315 -3.652 685 HB3 GLN 90 3HB GLN 90 -5.455 13.712 -5.022 686 HG2 GLN 90 2HG GLN 90 -6.710 14.692 -2.414 687 HG3 GLN 90 3HG GLN 90 -6.477 15.676 -3.849 688 HE21 GLN 90 1HE2 GLN 90 -8.271 12.799 -2.609 689 HE22 GLN 90 2HE2 GLN 90 -9.525 12.920 -3.844 690 HA PRO 91 HA PRO 91 -3.204 9.147 -4.712 691 HB2 PRO 91 2HB PRO 91 -3.813 8.483 -7.297 692 HB3 PRO 91 3HB PRO 91 -4.795 7.992 -5.883 693 HG2 PRO 91 2HG PRO 91 -5.248 10.358 -7.732 694 HG3 PRO 91 3HG PRO 91 -6.439 9.129 -7.195 695 HD2 PRO 91 2HD PRO 91 -6.245 11.551 -5.976 696 HD3 PRO 91 3HD PRO 91 -6.571 10.068 -5.030 697 H VAL 92 H VAL 92 -1.160 9.139 -5.414 698 HA VAL 92 HA VAL 92 -0.187 11.348 -7.209 699 HB VAL 92 HB VAL 92 0.965 10.256 -4.631 700 HG11 VAL 92 1HG1 VAL 92 2.875 10.577 -6.140 701 HG12 VAL 92 2HG1 VAL 92 2.272 12.190 -6.589 702 HG13 VAL 92 3HG1 VAL 92 2.838 11.857 -4.936 703 HG21 VAL 92 3HG2 VAL 92 -0.007 12.997 -5.563 704 HG22 VAL 92 1HG2 VAL 92 -0.694 11.990 -4.270 705 HG23 VAL 92 2HG2 VAL 92 0.902 12.734 -4.072 706 H LYS 93 H LYS 93 0.520 7.976 -6.127 707 HA LYS 93 HA LYS 93 1.589 7.426 -8.815 708 HB2 LYS 93 2HB LYS 93 3.463 8.240 -7.043 709 HB3 LYS 93 3HB LYS 93 3.385 6.545 -6.556 710 HG2 LYS 93 2HG LYS 93 3.756 5.945 -9.018 711 HG3 LYS 93 3HG LYS 93 3.958 7.678 -9.331 712 HD2 LYS 93 2HD LYS 93 5.816 7.593 -7.519 713 HD3 LYS 93 3HD LYS 93 5.729 5.836 -7.678 714 HE2 LYS 93 2HE LYS 93 6.364 7.869 -9.865 715 HE3 LYS 93 3HE LYS 93 7.526 6.810 -9.068 716 HZ1 LYS 93 3HZ LYS 93 6.841 5.955 -11.246 717 HZ2 LYS 93 1HZ LYS 93 5.284 5.855 -10.780 718 HZ3 LYS 93 2HZ LYS 93 6.421 4.890 -10.092 719 H ARG 94 H ARG 94 1.711 5.196 -9.347 720 HA ARG 94 HA ARG 94 0.852 3.233 -7.316 721 HB2 ARG 94 2HB ARG 94 -1.171 4.075 -8.569 722 HB3 ARG 94 3HB ARG 94 -0.506 3.354 -10.039 723 HG2 ARG 94 2HG ARG 94 -0.657 1.112 -9.065 724 HG3 ARG 94 3HG ARG 94 -0.993 1.790 -7.466 725 HD2 ARG 94 2HD ARG 94 -3.052 1.011 -8.280 726 HD3 ARG 94 3HD ARG 94 -3.114 2.776 -8.354 727 HE ARG 94 HE ARG 94 -2.243 1.704 -10.882 728 HH11 ARG 94 1HH2 ARG 94 -5.158 2.057 -8.996 729 HH12 ARG 94 2HH2 ARG 94 -6.209 1.693 -10.330 730 HH21 ARG 94 1HH1 ARG 94 -3.635 1.460 -12.623 731 HH22 ARG 94 2HH1 ARG 94 -5.352 1.567 -12.369 732 H ILE 95 H ILE 95 1.667 1.259 -7.492 733 HA ILE 95 HA ILE 95 3.462 0.523 -9.765 734 HB ILE 95 HB ILE 95 4.027 -0.097 -6.835 735 HG12 ILE 95 2HG1 ILE 95 6.071 1.541 -7.344 736 HG13 ILE 95 3HG1 ILE 95 4.920 2.305 -8.432 737 HG21 ILE 95 1HG2 ILE 95 5.016 -1.663 -8.448 738 HG22 ILE 95 2HG2 ILE 95 5.737 -0.301 -9.345 739 HG23 ILE 95 3HG2 ILE 95 6.266 -0.687 -7.694 740 HD11 ILE 95 3HD1 ILE 95 5.027 3.362 -6.185 741 HD12 ILE 95 1HD1 ILE 95 3.408 2.717 -6.475 742 HD13 ILE 95 2HD1 ILE 95 4.541 1.834 -5.431 743 H VAL 96 H VAL 96 3.252 -1.658 -10.410 744 HA VAL 96 HA VAL 96 1.671 -3.496 -8.699 745 HB VAL 96 HB VAL 96 0.003 -2.781 -10.170 746 HG11 VAL 96 1HG1 VAL 96 1.307 -1.770 -11.996 747 HG12 VAL 96 2HG1 VAL 96 1.860 -3.378 -12.518 748 HG13 VAL 96 3HG1 VAL 96 0.146 -2.931 -12.641 749 HG21 VAL 96 3HG2 VAL 96 0.081 -5.228 -9.775 750 HG22 VAL 96 1HG2 VAL 96 -0.698 -4.779 -11.293 751 HG23 VAL 96 2HG2 VAL 96 0.950 -5.431 -11.316 752 H GLY 97 H GLY 97 2.226 -5.569 -8.708 753 HA2 GLY 97 2HA GLY 97 3.556 -7.469 -9.102 754 HA3 GLY 97 3HA GLY 97 4.533 -6.592 -10.278 755 H ALA 98 H ALA 98 5.549 -8.224 -8.167 756 HA ALA 98 HA ALA 98 6.404 -6.618 -5.911 757 HB1 ALA 98 3HB ALA 98 6.077 -9.043 -5.758 758 HB2 ALA 98 1HB ALA 98 7.364 -9.320 -6.953 759 HB3 ALA 98 2HB ALA 98 7.755 -8.613 -5.374 760 H LYS 99 H LYS 99 8.251 -5.525 -5.573 761 HA LYS 99 HA LYS 99 10.529 -5.669 -7.489 762 HB2 LYS 99 2HB LYS 99 9.306 -3.083 -6.416 763 HB3 LYS 99 3HB LYS 99 10.822 -3.218 -7.316 764 HG2 LYS 99 2HG LYS 99 9.505 -4.266 -9.222 765 HG3 LYS 99 3HG LYS 99 8.024 -3.847 -8.340 766 HD2 LYS 99 2HD LYS 99 8.716 -1.438 -8.386 767 HD3 LYS 99 3HD LYS 99 10.152 -1.902 -9.329 768 HE2 LYS 99 2HE LYS 99 8.600 -2.935 -11.045 769 HE3 LYS 99 3HE LYS 99 7.232 -2.287 -10.129 770 HZ1 LYS 99 3HZ LYS 99 9.376 -0.688 -11.423 771 HZ2 LYS 99 1HZ LYS 99 8.219 -0.040 -10.470 772 HZ3 LYS 99 2HZ LYS 99 7.812 -0.759 -11.890 773 H GLY 100 H GLY 100 12.584 -5.031 -6.563 774 HA2 GLY 100 2HA GLY 100 12.894 -5.762 -3.740 775 HA3 GLY 100 3HA GLY 100 14.169 -5.359 -4.893 776 H LYS 101 H LYS 101 14.192 -4.367 -2.347 777 HA LYS 101 HA LYS 101 13.017 -1.875 -1.835 778 HB2 LYS 101 2HB LYS 101 14.566 -3.431 -0.376 779 HB3 LYS 101 3HB LYS 101 15.877 -2.426 -0.990 780 HG2 LYS 101 2HG LYS 101 14.714 -0.383 -0.132 781 HG3 LYS 101 3HG LYS 101 13.373 -1.389 0.445 782 HD2 LYS 101 2HD LYS 101 14.979 -2.612 1.922 783 HD3 LYS 101 3HD LYS 101 16.265 -1.507 1.388 784 HE2 LYS 101 2HE LYS 101 14.900 0.430 2.249 785 HE3 LYS 101 3HE LYS 101 13.674 -0.719 2.803 786 HZ1 LYS 101 3HZ LYS 101 16.508 -0.699 3.718 787 HZ2 LYS 101 1HZ LYS 101 15.369 -1.753 4.234 788 HZ3 LYS 101 2HZ LYS 101 15.262 -0.147 4.605 789 H ALA 102 H ALA 102 15.771 -2.434 -3.892 790 HA ALA 102 HA ALA 102 16.625 0.315 -3.988 791 HB1 ALA 102 3HB ALA 102 16.901 -1.880 -6.101 792 HB2 ALA 102 1HB ALA 102 17.795 -0.344 -6.073 793 HB3 ALA 102 2HB ALA 102 18.044 -1.535 -4.783 794 H ALA 103 H ALA 103 14.496 -1.470 -6.327 795 HA ALA 103 HA ALA 103 13.801 1.010 -7.669 796 HB1 ALA 103 3HB ALA 103 12.327 -0.461 -9.009 797 HB2 ALA 103 1HB ALA 103 13.962 -1.136 -8.864 798 HB3 ALA 103 2HB ALA 103 12.634 -1.805 -7.887 799 H LEU 104 H LEU 104 12.036 -1.023 -5.156 800 HA LEU 104 HA LEU 104 9.698 0.633 -5.409 801 HB2 LEU 104 2HB LEU 104 9.662 -1.628 -4.410 802 HB3 LEU 104 3HB LEU 104 10.619 -1.042 -3.044 803 HG LEU 104 HG LEU 104 8.810 0.459 -2.359 804 HD11 LEU 104 1HD1 LEU 104 6.576 0.379 -3.443 805 HD12 LEU 104 2HD1 LEU 104 7.258 -0.599 -4.763 806 HD13 LEU 104 3HD1 LEU 104 7.781 1.082 -4.502 807 HD21 LEU 104 3HD2 LEU 104 7.734 -2.324 -2.958 808 HD22 LEU 104 1HD2 LEU 104 7.123 -1.188 -1.732 809 HD23 LEU 104 2HD2 LEU 104 8.737 -1.874 -1.564 810 H LEU 105 H LEU 105 12.700 0.971 -3.421 811 HA LEU 105 HA LEU 105 11.656 3.406 -2.269 812 HB2 LEU 105 2HB LEU 105 13.384 2.001 -1.128 813 HB3 LEU 105 3HB LEU 105 14.560 2.605 -2.296 814 HG LEU 105 HG LEU 105 14.268 4.904 -1.509 815 HD11 LEU 105 1HD1 LEU 105 12.156 3.793 0.397 816 HD12 LEU 105 2HD1 LEU 105 11.910 5.024 -0.866 817 HD13 LEU 105 3HD1 LEU 105 12.902 5.402 0.532 818 HD21 LEU 105 3HD2 LEU 105 15.831 3.428 -0.310 819 HD22 LEU 105 1HD2 LEU 105 14.539 2.959 0.818 820 HD23 LEU 105 2HD2 LEU 105 15.123 4.637 0.771 821 H ARG 106 H ARG 106 13.444 2.832 -5.387 822 HA ARG 106 HA ARG 106 13.808 5.658 -5.896 823 HB2 ARG 106 2HB ARG 106 12.979 3.448 -7.837 824 HB3 ARG 106 3HB ARG 106 13.337 5.100 -8.312 825 HG2 ARG 106 2HG ARG 106 15.635 4.892 -7.515 826 HG3 ARG 106 3HG ARG 106 15.336 3.264 -6.945 827 HD2 ARG 106 2HD ARG 106 14.778 2.558 -9.268 828 HD3 ARG 106 3HD ARG 106 15.154 4.201 -9.830 829 HE ARG 106 HE ARG 106 17.388 3.230 -8.363 830 HH11 ARG 106 1HH1 ARG 106 15.829 2.539 -11.425 831 HH12 ARG 106 2HH1 ARG 106 17.300 1.942 -12.143 832 HH21 ARG 106 1HH2 ARG 106 19.230 2.462 -9.343 833 HH22 ARG 106 2HH2 ARG 106 19.171 1.904 -10.988 834 H GLU 107 H GLU 107 10.972 3.600 -6.549 835 HA GLU 107 HA GLU 107 9.352 5.792 -7.430 836 HB2 GLU 107 2HB GLU 107 8.580 2.975 -6.578 837 HB3 GLU 107 3HB GLU 107 7.476 4.154 -7.304 838 HG2 GLU 107 2HG GLU 107 9.207 4.384 -9.210 839 HG3 GLU 107 3HG GLU 107 9.957 2.925 -8.570 840 H LEU 108 H LEU 108 9.764 4.531 -4.154 841 HA LEU 108 HA LEU 108 7.725 6.448 -3.155 842 HB2 LEU 108 2HB LEU 108 9.449 4.420 -1.696 843 HB3 LEU 108 3HB LEU 108 8.204 5.432 -0.959 844 HG LEU 108 HG LEU 108 7.716 3.363 -3.143 845 HD11 LEU 108 1HD1 LEU 108 6.589 2.064 -1.379 846 HD12 LEU 108 2HD1 LEU 108 7.026 3.298 -0.175 847 HD13 LEU 108 3HD1 LEU 108 8.287 2.337 -0.981 848 HD21 LEU 108 3HD2 LEU 108 5.322 3.661 -2.607 849 HD22 LEU 108 1HD2 LEU 108 6.021 5.135 -3.265 850 HD23 LEU 108 2HD2 LEU 108 5.747 4.998 -1.508 851 H SER 109 H SER 109 11.234 6.302 -3.411 852 HA SER 109 HA SER 109 11.759 8.517 -1.685 853 HB2 SER 109 2HB SER 109 13.577 7.077 -2.330 854 HB3 SER 109 3HB SER 109 13.423 7.599 -4.029 855 HG SER 109 HG SER 109 14.041 9.197 -1.761 856 H ASP 110 H ASP 110 10.595 8.284 -5.025 857 HA ASP 110 HA ASP 110 10.638 10.968 -5.855 858 HB2 ASP 110 2HB ASP 110 9.612 8.987 -7.029 859 HB3 ASP 110 3HB ASP 110 8.234 9.110 -5.931 860 H VAL 111 H VAL 111 8.855 9.659 -3.100 861 HA VAL 111 HA VAL 111 7.764 12.344 -2.384 862 HB VAL 111 HB VAL 111 6.895 9.511 -1.721 863 HG11 VAL 111 1HG1 VAL 111 5.831 12.121 -0.569 864 HG12 VAL 111 2HG1 VAL 111 5.014 10.544 -0.453 865 HG13 VAL 111 3HG1 VAL 111 6.575 10.776 0.330 866 HG21 VAL 111 3HG2 VAL 111 4.781 10.248 -2.777 867 HG22 VAL 111 1HG2 VAL 111 5.493 11.835 -3.120 868 HG23 VAL 111 2HG2 VAL 111 6.126 10.371 -3.905 869 H VAL 112 H VAL 112 9.902 9.746 -1.352 870 HA VAL 112 HA VAL 112 10.676 11.244 1.125 871 HB VAL 112 HB VAL 112 11.190 8.297 0.565 872 HG11 VAL 112 1HG1 VAL 112 11.495 8.263 3.037 873 HG12 VAL 112 2HG1 VAL 112 12.674 9.321 2.272 874 HG13 VAL 112 3HG1 VAL 112 11.263 10.019 3.095 875 HG21 VAL 112 3HG2 VAL 112 9.353 7.873 2.204 876 HG22 VAL 112 1HG2 VAL 112 8.904 9.592 2.106 877 HG23 VAL 112 2HG2 VAL 112 8.770 8.543 0.683 878 HA PRO 113 HA PRO 113 14.161 11.683 -1.924 879 HB2 PRO 113 2HB PRO 113 14.718 14.342 -1.587 880 HB3 PRO 113 3HB PRO 113 13.390 13.742 -2.625 881 HG2 PRO 113 2HG PRO 113 13.205 14.669 0.267 882 HG3 PRO 113 3HG PRO 113 12.216 15.211 -1.130 883 HD2 PRO 113 2HD PRO 113 11.316 13.285 0.533 884 HD3 PRO 113 3HD PRO 113 11.066 13.147 -1.236 885 H ASN 114 H ASN 114 13.877 11.888 1.453 886 HA ASN 114 HA ASN 114 16.565 12.691 2.149 887 HB2 ASN 114 2HB ASN 114 14.600 12.980 3.612 888 HB3 ASN 114 3HB ASN 114 14.389 11.228 3.703 889 HD21 ASN 114 1HD2 ASN 114 16.821 13.813 4.428 890 HD22 ASN 114 2HD2 ASN 114 17.450 12.968 5.835 891 H LEU 115 H LEU 115 15.279 9.579 1.117 892 HA LEU 115 HA LEU 115 17.969 8.411 1.362 893 HB2 LEU 115 2HB LEU 115 16.865 7.894 3.528 894 HB3 LEU 115 3HB LEU 115 15.523 7.144 2.661 895 HG LEU 115 HG LEU 115 17.123 5.419 1.762 896 HD11 LEU 115 1HD1 LEU 115 19.091 6.740 3.684 897 HD12 LEU 115 2HD1 LEU 115 19.254 6.647 1.917 898 HD13 LEU 115 3HD1 LEU 115 19.325 5.172 2.881 899 HD21 LEU 115 3HD2 LEU 115 17.345 4.193 3.872 900 HD22 LEU 115 1HD2 LEU 115 15.773 4.995 3.781 901 HD23 LEU 115 2HD2 LEU 115 17.068 5.684 4.797 902 H ASN 116 H ASN 116 18.453 7.176 -0.333 903 HA ASN 116 HA ASN 116 16.441 5.634 -1.824 904 HB2 ASN 116 2HB ASN 116 16.485 7.920 -2.878 905 HB3 ASN 116 3HB ASN 116 18.196 7.712 -3.209 906 HD21 ASN 116 2HD2 ASN 116 17.091 8.274 -5.391 907 HD22 ASN 116 1HD2 ASN 116 16.659 6.878 -6.366 Start of MODEL 6 1 H1 MET 1 1H MET 1 9.391 -6.050 14.897 2 H2 MET 1 2H MET 1 10.507 -6.897 14.051 3 HA MET 1 HA MET 1 11.867 -5.008 13.682 4 HB2 MET 1 2HB MET 1 10.127 -3.368 13.315 5 HB3 MET 1 3HB MET 1 9.588 -3.476 14.992 6 HG2 MET 1 2HG MET 1 10.930 -1.453 14.513 7 HG3 MET 1 3HG MET 1 11.629 -2.440 15.786 8 HE1 MET 1 3HE MET 1 13.022 -0.028 14.078 9 HE2 MET 1 1HE MET 1 13.820 -0.834 15.448 10 HE3 MET 1 2HE MET 1 14.666 -0.677 13.895 11 H THR 2 H THR 2 13.596 -5.202 15.028 12 HA THR 2 HA THR 2 13.431 -6.650 17.408 13 HB THR 2 HB THR 2 15.709 -4.783 16.669 14 HG1 THR 2 HG1 THR 2 16.428 -6.477 15.365 15 HG21 THR 2 3HG2 THR 2 15.646 -7.528 18.011 16 HG22 THR 2 1HG2 THR 2 16.042 -5.985 18.801 17 HG23 THR 2 2HG2 THR 2 17.117 -6.634 17.559 18 H ASP 3 H ASP 3 13.491 -3.109 17.058 19 HA ASP 3 HA ASP 3 13.996 -2.584 19.859 20 HB2 ASP 3 2HB ASP 3 14.653 -1.132 17.933 21 HB3 ASP 3 3HB ASP 3 12.949 -0.752 17.672 22 H SER 4 H SER 4 11.046 -3.175 18.095 23 HA SER 4 HA SER 4 9.350 -2.223 20.371 24 HB2 SER 4 2HB SER 4 7.783 -1.341 18.646 25 HB3 SER 4 3HB SER 4 9.362 -0.547 18.653 26 HG SER 4 HG SER 4 8.207 -2.188 16.717 27 H GLU 5 H GLU 5 10.174 -4.955 18.877 28 HA GLU 5 HA GLU 5 9.381 -6.959 18.374 29 HB2 GLU 5 2HB GLU 5 8.432 -6.971 20.644 30 HB3 GLU 5 3HB GLU 5 6.901 -6.368 20.006 31 HG2 GLU 5 2HG GLU 5 6.682 -8.349 18.622 32 HG3 GLU 5 3HG GLU 5 8.246 -8.931 19.184 33 H LYS 6 H LYS 6 6.414 -4.992 18.177 34 HA LYS 6 HA LYS 6 5.724 -6.126 15.549 35 HB2 LYS 6 2HB LYS 6 4.000 -5.573 17.297 36 HB3 LYS 6 3HB LYS 6 4.395 -3.859 17.086 37 HG2 LYS 6 2HG LYS 6 3.841 -4.159 14.621 38 HG3 LYS 6 3HG LYS 6 3.249 -5.772 14.995 39 HD2 LYS 6 2HD LYS 6 1.479 -4.867 16.371 40 HD3 LYS 6 3HD LYS 6 2.171 -3.238 16.324 41 HE2 LYS 6 2HE LYS 6 1.186 -4.753 13.862 42 HE3 LYS 6 3HE LYS 6 0.196 -3.610 14.774 43 HZ1 LYS 6 3HZ LYS 6 2.768 -2.892 13.447 44 HZ2 LYS 6 1HZ LYS 6 1.773 -1.861 14.241 45 HZ3 LYS 6 2HZ LYS 6 1.294 -2.558 12.842 46 H SER 7 H SER 7 6.062 -5.248 13.609 47 HA SER 7 HA SER 7 7.698 -2.832 13.247 48 HB2 SER 7 2HB SER 7 6.438 -4.702 11.217 49 HB3 SER 7 3HB SER 7 7.672 -3.469 10.896 50 HG SER 7 HG SER 7 8.435 -5.685 11.185 51 H ALA 8 H ALA 8 7.043 -1.128 11.653 52 HA ALA 8 HA ALA 8 4.612 -0.051 12.777 53 HB1 ALA 8 3HB ALA 8 6.794 1.142 12.632 54 HB2 ALA 8 1HB ALA 8 6.550 1.257 10.870 55 HB3 ALA 8 2HB ALA 8 5.426 2.062 11.977 56 H THR 9 H THR 9 4.005 -2.130 10.777 57 HA THR 9 HA THR 9 2.597 -0.664 8.609 58 HB THR 9 HB THR 9 1.929 -2.959 7.870 59 HG1 THR 9 HG1 THR 9 3.025 -4.692 8.818 60 HG21 THR 9 3HG2 THR 9 4.923 -2.536 8.180 61 HG22 THR 9 1HG2 THR 9 3.892 -1.887 6.878 62 HG23 THR 9 2HG2 THR 9 4.131 -3.633 7.026 63 H ILE 10 H ILE 10 0.375 -0.918 8.222 64 HA ILE 10 HA ILE 10 -1.367 -2.025 10.356 65 HB ILE 10 HB ILE 10 -2.942 -0.151 10.112 66 HG12 ILE 10 2HG1 ILE 10 -0.742 1.297 8.574 67 HG13 ILE 10 3HG1 ILE 10 -2.230 0.654 7.874 68 HG21 ILE 10 1HG2 ILE 10 -1.816 1.371 11.606 69 HG22 ILE 10 2HG2 ILE 10 -1.260 -0.263 11.966 70 HG23 ILE 10 3HG2 ILE 10 -0.218 0.840 11.041 71 HD11 ILE 10 3HD1 ILE 10 -2.036 2.914 9.895 72 HD12 ILE 10 1HD1 ILE 10 -2.482 3.023 8.188 73 HD13 ILE 10 2HD1 ILE 10 -3.560 2.186 9.324 74 H LYS 11 H LYS 11 -3.592 -2.492 9.536 75 HA LYS 11 HA LYS 11 -3.779 -2.527 6.574 76 HB2 LYS 11 2HB LYS 11 -4.963 -4.559 6.458 77 HB3 LYS 11 3HB LYS 11 -3.401 -4.824 7.227 78 HG2 LYS 11 2HG LYS 11 -4.459 -5.039 9.425 79 HG3 LYS 11 3HG LYS 11 -6.025 -4.549 8.761 80 HD2 LYS 11 2HD LYS 11 -6.014 -6.947 9.052 81 HD3 LYS 11 3HD LYS 11 -6.087 -6.557 7.328 82 HE2 LYS 11 2HE LYS 11 -3.621 -6.970 7.158 83 HE3 LYS 11 3HE LYS 11 -3.593 -7.397 8.876 84 HZ1 LYS 11 3HZ LYS 11 -5.208 -9.201 8.298 85 HZ2 LYS 11 1HZ LYS 11 -3.764 -9.391 7.560 86 HZ3 LYS 11 2HZ LYS 11 -5.037 -8.835 6.705 87 H VAL 12 H VAL 12 -5.695 -2.151 5.630 88 HA VAL 12 HA VAL 12 -7.738 -0.720 7.288 89 HB VAL 12 HB VAL 12 -8.012 0.856 5.412 90 HG11 VAL 12 1HG1 VAL 12 -6.038 2.209 5.902 91 HG12 VAL 12 2HG1 VAL 12 -6.617 1.417 7.378 92 HG13 VAL 12 3HG1 VAL 12 -5.181 0.797 6.544 93 HG21 VAL 12 3HG2 VAL 12 -6.331 1.114 3.683 94 HG22 VAL 12 1HG2 VAL 12 -5.396 -0.255 4.301 95 HG23 VAL 12 2HG2 VAL 12 -6.992 -0.524 3.574 96 H THR 13 H THR 13 -9.893 -0.647 6.433 97 HA THR 13 HA THR 13 -10.599 -2.884 4.583 98 HB THR 13 HB THR 13 -12.456 -3.472 6.089 99 HG1 THR 13 HG1 THR 13 -12.418 -2.628 8.205 100 HG21 THR 13 3HG2 THR 13 -10.270 -4.675 6.302 101 HG22 THR 13 1HG2 THR 13 -11.213 -4.639 7.802 102 HG23 THR 13 2HG2 THR 13 -9.815 -3.559 7.610 103 H ASP 14 H ASP 14 -12.767 -2.869 3.806 104 HA ASP 14 HA ASP 14 -13.287 -0.540 2.374 105 HB2 ASP 14 2HB ASP 14 -14.987 -1.716 1.398 106 HB3 ASP 14 3HB ASP 14 -13.959 -3.007 1.969 107 H ALA 15 H ALA 15 -14.513 -1.305 5.564 108 HA ALA 15 HA ALA 15 -16.638 0.702 5.537 109 HB1 ALA 15 3HB ALA 15 -16.940 -0.020 7.867 110 HB2 ALA 15 1HB ALA 15 -16.825 -1.420 6.785 111 HB3 ALA 15 2HB ALA 15 -15.432 -0.954 7.793 112 H SER 16 H SER 16 -13.233 0.844 6.119 113 HA SER 16 HA SER 16 -13.467 3.426 7.632 114 HB2 SER 16 2HB SER 16 -11.554 1.130 8.171 115 HB3 SER 16 3HB SER 16 -11.593 2.688 9.022 116 HG SER 16 HG SER 16 -12.729 1.031 10.150 117 H PHE 17 H PHE 17 -12.132 2.030 4.838 118 HA PHE 17 HA PHE 17 -9.545 2.947 4.655 119 HB2 PHE 17 2HB PHE 17 -10.885 1.522 3.040 120 HB3 PHE 17 3HB PHE 17 -11.592 2.990 2.398 121 HD1 PHE 17 HD2 PHE 17 -10.004 4.728 1.283 122 HD2 PHE 17 HD1 PHE 17 -8.795 0.722 2.329 123 HE1 PHE 17 HE2 PHE 17 -8.091 4.887 -0.292 124 HE2 PHE 17 HE1 PHE 17 -6.944 0.857 0.693 125 HZ PHE 17 HZ PHE 17 -6.570 2.950 -0.606 126 H ALA 18 H ALA 18 -12.488 4.891 3.928 127 HA ALA 18 HA ALA 18 -11.015 7.166 3.044 128 HB1 ALA 18 3HB ALA 18 -13.356 6.752 2.427 129 HB2 ALA 18 1HB ALA 18 -13.857 6.978 4.122 130 HB3 ALA 18 2HB ALA 18 -13.176 8.338 3.200 131 H THR 19 H THR 19 -12.025 6.165 6.288 132 HA THR 19 HA THR 19 -11.285 8.696 7.561 133 HB THR 19 HB THR 19 -11.747 5.978 8.856 134 HG1 THR 19 HG1 THR 19 -13.887 6.670 9.069 135 HG21 THR 19 3HG2 THR 19 -10.827 7.647 10.414 136 HG22 THR 19 1HG2 THR 19 -12.528 7.354 10.781 137 HG23 THR 19 2HG2 THR 19 -12.055 8.829 9.907 138 H ASP 20 H ASP 20 -9.696 5.576 6.931 139 HA ASP 20 HA ASP 20 -7.404 6.232 8.654 140 HB2 ASP 20 2HB ASP 20 -7.978 3.913 6.773 141 HB3 ASP 20 3HB ASP 20 -6.526 4.054 7.764 142 H VAL 21 H VAL 21 -7.933 5.954 5.129 143 HA VAL 21 HA VAL 21 -5.128 6.765 4.589 144 HB VAL 21 HB VAL 21 -7.271 5.771 2.676 145 HG11 VAL 21 1HG1 VAL 21 -4.256 5.963 2.327 146 HG12 VAL 21 2HG1 VAL 21 -5.423 5.293 1.173 147 HG13 VAL 21 3HG1 VAL 21 -5.454 7.014 1.545 148 HG21 VAL 21 3HG2 VAL 21 -5.019 4.229 4.043 149 HG22 VAL 21 1HG2 VAL 21 -6.767 3.996 4.298 150 HG23 VAL 21 2HG2 VAL 21 -6.057 3.610 2.736 151 H LEU 22 H LEU 22 -8.439 7.732 3.581 152 HA LEU 22 HA LEU 22 -7.349 9.981 2.087 153 HB2 LEU 22 2HB LEU 22 -10.263 9.313 2.483 154 HB3 LEU 22 3HB LEU 22 -9.547 10.317 1.232 155 HG LEU 22 HG LEU 22 -9.140 7.317 1.543 156 HD11 LEU 22 1HD1 LEU 22 -10.707 8.891 -0.532 157 HD12 LEU 22 2HD1 LEU 22 -11.409 7.941 0.793 158 HD13 LEU 22 3HD1 LEU 22 -10.494 7.126 -0.485 159 HD21 LEU 22 3HD2 LEU 22 -8.069 7.347 -0.636 160 HD22 LEU 22 1HD2 LEU 22 -7.161 8.382 0.469 161 HD23 LEU 22 2HD2 LEU 22 -8.243 9.106 -0.742 162 H SER 23 H SER 23 -8.472 9.692 5.310 163 HA SER 23 HA SER 23 -9.120 12.515 5.673 164 HB2 SER 23 2HB SER 23 -9.973 10.496 7.012 165 HB3 SER 23 3HB SER 23 -8.417 10.571 7.866 166 HG SER 23 HG SER 23 -10.065 11.792 8.914 167 H SER 24 H SER 24 -6.167 10.844 5.315 168 HA SER 24 HA SER 24 -4.580 12.027 7.363 169 HB2 SER 24 2HB SER 24 -4.072 9.898 6.213 170 HB3 SER 24 3HB SER 24 -3.641 10.816 4.749 171 HG SER 24 HG SER 24 -1.840 10.340 6.142 172 H ASN 25 H ASN 25 -3.131 13.648 7.414 173 HA ASN 25 HA ASN 25 -3.166 15.707 5.278 174 HB2 ASN 25 2HB ASN 25 -2.377 17.245 6.933 175 HB3 ASN 25 3HB ASN 25 -3.783 16.404 7.568 176 HD21 ASN 25 1HD2 ASN 25 -2.315 17.703 9.388 177 HD22 ASN 25 2HD2 ASN 25 -1.348 16.572 10.326 178 H LYS 26 H LYS 26 -1.407 13.045 5.809 179 HA LYS 26 HA LYS 26 1.096 14.176 4.638 180 HB2 LYS 26 2HB LYS 26 2.409 12.531 5.891 181 HB3 LYS 26 3HB LYS 26 1.547 13.610 6.978 182 HG2 LYS 26 2HG LYS 26 -0.112 11.924 7.477 183 HG3 LYS 26 3HG LYS 26 0.524 10.828 6.243 184 HD2 LYS 26 2HD LYS 26 2.056 11.709 8.724 185 HD3 LYS 26 3HD LYS 26 1.103 10.228 8.578 186 HE2 LYS 26 2HE LYS 26 2.557 9.663 6.525 187 HE3 LYS 26 3HE LYS 26 3.642 10.957 7.067 188 HZ1 LYS 26 3HZ LYS 26 2.854 8.528 8.577 189 HZ2 LYS 26 1HZ LYS 26 3.763 9.735 9.240 190 HZ3 LYS 26 2HZ LYS 26 4.353 8.833 8.017 191 HA PRO 27 HA PRO 27 0.716 11.029 1.513 192 HB2 PRO 27 2HB PRO 27 3.510 10.147 2.183 193 HB3 PRO 27 3HB PRO 27 2.793 10.453 0.571 194 HG2 PRO 27 2HG PRO 27 4.403 12.310 1.701 195 HG3 PRO 27 3HG PRO 27 2.867 12.834 0.933 196 HD2 PRO 27 2HD PRO 27 3.425 12.360 3.875 197 HD3 PRO 27 3HD PRO 27 2.596 13.739 3.093 198 H VAL 28 H VAL 28 -0.023 8.977 1.352 199 HA VAL 28 HA VAL 28 0.546 6.998 3.501 200 HB VAL 28 HB VAL 28 -2.266 7.507 2.475 201 HG11 VAL 28 1HG1 VAL 28 -2.879 5.927 4.316 202 HG12 VAL 28 2HG1 VAL 28 -1.863 5.151 3.101 203 HG13 VAL 28 3HG1 VAL 28 -1.161 5.665 4.651 204 HG21 VAL 28 3HG2 VAL 28 -2.769 8.220 4.808 205 HG22 VAL 28 1HG2 VAL 28 -1.025 8.208 5.165 206 HG23 VAL 28 2HG2 VAL 28 -1.694 9.334 3.963 207 H LEU 29 H LEU 29 1.003 5.057 2.725 208 HA LEU 29 HA LEU 29 0.695 4.565 -0.208 209 HB2 LEU 29 2HB LEU 29 2.962 5.157 0.632 210 HB3 LEU 29 3HB LEU 29 2.929 3.806 1.727 211 HG LEU 29 HG LEU 29 4.226 3.700 -0.532 212 HD11 LEU 29 1HD1 LEU 29 2.470 1.351 0.266 213 HD12 LEU 29 2HD1 LEU 29 4.009 1.815 1.029 214 HD13 LEU 29 3HD1 LEU 29 3.984 1.296 -0.657 215 HD21 LEU 29 3HD2 LEU 29 3.112 2.830 -2.444 216 HD22 LEU 29 1HD2 LEU 29 2.200 4.256 -1.952 217 HD23 LEU 29 2HD2 LEU 29 1.576 2.640 -1.585 218 H VAL 30 H VAL 30 -0.721 2.988 -0.629 219 HA VAL 30 HA VAL 30 -1.239 0.944 1.485 220 HB VAL 30 HB VAL 30 -3.157 1.744 -0.696 221 HG11 VAL 30 1HG1 VAL 30 -3.514 -0.505 0.286 222 HG12 VAL 30 2HG1 VAL 30 -3.466 0.194 1.923 223 HG13 VAL 30 3HG1 VAL 30 -4.774 0.609 0.804 224 HG21 VAL 30 3HG2 VAL 30 -4.404 2.961 1.057 225 HG22 VAL 30 1HG2 VAL 30 -3.054 2.727 2.183 226 HG23 VAL 30 2HG2 VAL 30 -2.844 3.714 0.724 227 H ASP 31 H ASP 31 -0.541 -1.003 1.128 228 HA ASP 31 HA ASP 31 0.028 -2.045 -1.590 229 HB2 ASP 31 2HB ASP 31 1.726 -2.318 0.087 230 HB3 ASP 31 3HB ASP 31 0.577 -3.022 1.226 231 H PHE 32 H PHE 32 -1.709 -2.746 -2.633 232 HA PHE 32 HA PHE 32 -3.947 -4.162 -1.338 233 HB2 PHE 32 2HB PHE 32 -3.370 -3.277 -4.181 234 HB3 PHE 32 3HB PHE 32 -4.691 -4.352 -3.767 235 HD1 PHE 32 HD1 PHE 32 -3.286 -0.975 -2.772 236 HD2 PHE 32 HD2 PHE 32 -6.776 -3.467 -3.225 237 HE1 PHE 32 HE1 PHE 32 -4.752 0.929 -2.141 238 HE2 PHE 32 HE2 PHE 32 -8.219 -1.535 -2.661 239 HZ PHE 32 HZ PHE 32 -7.195 0.683 -2.149 240 H TRP 33 H TRP 33 -3.756 -6.210 -0.864 241 HA TRP 33 HA TRP 33 -1.980 -8.019 -2.416 242 HB2 TRP 33 2HB TRP 33 -0.516 -8.352 -0.666 243 HB3 TRP 33 3HB TRP 33 -0.813 -6.638 -0.501 244 HD1 TRP 33 HD1 TRP 33 -2.991 -6.174 1.348 245 HE1 TRP 33 HE1 TRP 33 -3.488 -7.317 3.598 246 HE3 TRP 33 HE3 TRP 33 0.049 -10.266 0.846 247 HZ2 TRP 33 HZ2 TRP 33 -2.575 -9.640 5.035 248 HZ3 TRP 33 HZ3 TRP 33 0.242 -11.910 2.691 249 HH2 TRP 33 HH2 TRP 33 -1.067 -11.621 4.782 250 H ALA 34 H ALA 34 -1.978 -10.247 -1.540 251 HA ALA 34 HA ALA 34 -3.889 -10.955 0.508 252 HB1 ALA 34 3HB ALA 34 -4.177 -12.188 -2.269 253 HB2 ALA 34 1HB ALA 34 -4.983 -12.765 -0.792 254 HB3 ALA 34 2HB ALA 34 -5.379 -11.173 -1.439 255 H THR 35 H THR 35 -3.402 -12.982 1.464 256 HA THR 35 HA THR 35 -0.650 -13.736 1.387 257 HB THR 35 HB THR 35 -2.160 -13.882 3.353 258 HG1 THR 35 HG1 THR 35 -1.185 -15.710 4.146 259 HG21 THR 35 3HG2 THR 35 -3.517 -15.858 3.735 260 HG22 THR 35 1HG2 THR 35 -3.117 -16.510 2.135 261 HG23 THR 35 2HG2 THR 35 -4.108 -15.040 2.283 262 H TRP 36 H TRP 36 -3.289 -14.851 -0.568 263 HA TRP 36 HA TRP 36 -2.004 -17.314 -1.437 264 HB2 TRP 36 2HB TRP 36 -3.794 -17.349 -3.140 265 HB3 TRP 36 3HB TRP 36 -4.331 -17.297 -1.484 266 HD1 TRP 36 HD1 TRP 36 -6.228 -15.754 -0.971 267 HE1 TRP 36 HE1 TRP 36 -7.590 -14.035 -2.213 268 HE3 TRP 36 HE3 TRP 36 -3.100 -14.997 -4.995 269 HZ2 TRP 36 HZ2 TRP 36 -7.306 -12.363 -4.552 270 HZ3 TRP 36 HZ3 TRP 36 -3.642 -13.216 -6.644 271 HH2 TRP 36 HH2 TRP 36 -5.763 -11.947 -6.473 272 H CYS 37 H CYS 37 -1.253 -14.075 -2.151 273 HA CYS 37 HA CYS 37 -0.231 -14.736 -4.872 274 HB2 CYS 37 2HB CYS 37 -1.651 -12.761 -4.627 275 HB3 CYS 37 3HB CYS 37 -0.548 -12.093 -3.420 276 HG CYS 37 HG CYS 37 -0.011 -12.850 -6.619 277 H GLY 38 H GLY 38 1.714 -15.674 -4.855 278 HA2 GLY 38 2HA GLY 38 3.699 -15.605 -2.865 279 HA3 GLY 38 3HA GLY 38 3.986 -15.964 -4.567 280 HA PRO 39 HA PRO 39 5.871 -11.929 -5.237 281 HB2 PRO 39 2HB PRO 39 3.392 -10.876 -6.591 282 HB3 PRO 39 3HB PRO 39 5.102 -10.668 -7.087 283 HG2 PRO 39 2HG PRO 39 3.603 -12.539 -8.306 284 HG3 PRO 39 3HG PRO 39 5.249 -12.983 -7.742 285 HD2 PRO 39 2HD PRO 39 2.591 -13.545 -6.414 286 HD3 PRO 39 3HD PRO 39 3.993 -14.627 -6.628 287 H CYS 40 H CYS 40 2.505 -11.593 -3.956 288 HA CYS 40 HA CYS 40 3.011 -9.041 -2.640 289 HB2 CYS 40 2HB CYS 40 0.944 -11.217 -2.115 290 HB3 CYS 40 3HB CYS 40 1.072 -9.721 -1.199 291 HG CYS 40 HG CYS 40 0.651 -10.052 -4.467 292 H LYS 41 H LYS 41 3.173 -12.460 -1.584 293 HA LYS 41 HA LYS 41 4.102 -11.955 1.092 294 HB2 LYS 41 2HB LYS 41 4.389 -14.359 -0.759 295 HB3 LYS 41 3HB LYS 41 4.819 -14.389 0.942 296 HG2 LYS 41 2HG LYS 41 2.029 -13.464 0.177 297 HG3 LYS 41 3HG LYS 41 2.405 -15.170 0.059 298 HD2 LYS 41 2HD LYS 41 3.133 -13.720 2.611 299 HD3 LYS 41 3HD LYS 41 1.436 -14.074 2.316 300 HE2 LYS 41 2HE LYS 41 3.566 -16.227 2.068 301 HE3 LYS 41 3HE LYS 41 2.832 -15.819 3.626 302 HZ1 LYS 41 3HZ LYS 41 1.642 -17.643 2.505 303 HZ2 LYS 41 1HZ LYS 41 1.250 -16.658 1.247 304 HZ3 LYS 41 2HZ LYS 41 0.661 -16.346 2.719 305 H MET 42 H MET 42 5.860 -12.170 -1.959 306 HA MET 42 HA MET 42 8.520 -11.995 -0.807 307 HB2 MET 42 2HB MET 42 7.444 -11.467 -3.599 308 HB3 MET 42 3HB MET 42 9.155 -11.400 -3.181 309 HG2 MET 42 2HG MET 42 9.216 -13.721 -2.590 310 HG3 MET 42 3HG MET 42 7.465 -13.870 -2.685 311 HE1 MET 42 3HE MET 42 8.503 -16.144 -5.637 312 HE2 MET 42 1HE MET 42 9.285 -15.976 -4.050 313 HE3 MET 42 2HE MET 42 7.510 -15.976 -4.173 314 H VAL 43 H VAL 43 6.250 -9.470 -2.049 315 HA VAL 43 HA VAL 43 8.256 -7.375 -1.514 316 HB VAL 43 HB VAL 43 6.515 -7.552 -3.456 317 HG11 VAL 43 1HG1 VAL 43 4.490 -7.511 -1.978 318 HG12 VAL 43 2HG1 VAL 43 4.904 -5.847 -1.518 319 HG13 VAL 43 3HG1 VAL 43 4.522 -6.235 -3.205 320 HG21 VAL 43 3HG2 VAL 43 8.218 -5.824 -3.237 321 HG22 VAL 43 1HG2 VAL 43 6.680 -5.150 -3.817 322 HG23 VAL 43 2HG2 VAL 43 7.180 -4.915 -2.134 323 H ALA 44 H ALA 44 5.565 -8.683 0.299 324 HA ALA 44 HA ALA 44 5.005 -6.699 2.127 325 HB1 ALA 44 3HB ALA 44 5.348 -9.686 2.602 326 HB2 ALA 44 1HB ALA 44 4.530 -8.560 3.704 327 HB3 ALA 44 2HB ALA 44 3.879 -8.839 2.078 328 HA PRO 45 HA PRO 45 8.794 -7.507 4.944 329 HB2 PRO 45 2HB PRO 45 11.106 -8.579 3.889 330 HB3 PRO 45 3HB PRO 45 9.825 -9.532 4.696 331 HG2 PRO 45 2HG PRO 45 10.187 -9.049 1.721 332 HG3 PRO 45 3HG PRO 45 9.930 -10.614 2.564 333 HD2 PRO 45 2HD PRO 45 7.862 -9.351 1.436 334 HD3 PRO 45 3HD PRO 45 7.662 -10.083 3.047 335 H VAL 46 H VAL 46 9.174 -6.532 1.536 336 HA VAL 46 HA VAL 46 11.282 -4.564 2.111 337 HB VAL 46 HB VAL 46 9.490 -4.893 -0.321 338 HG11 VAL 46 1HG1 VAL 46 10.126 -2.557 -0.151 339 HG12 VAL 46 2HG1 VAL 46 11.801 -3.015 0.200 340 HG13 VAL 46 3HG1 VAL 46 11.088 -3.350 -1.406 341 HG21 VAL 46 3HG2 VAL 46 11.554 -5.685 -1.406 342 HG22 VAL 46 1HG2 VAL 46 12.439 -5.523 0.129 343 HG23 VAL 46 2HG2 VAL 46 11.135 -6.718 -0.038 344 H LEU 47 H LEU 47 7.764 -4.545 1.580 345 HA LEU 47 HA LEU 47 7.246 -1.785 2.090 346 HB2 LEU 47 2HB LEU 47 5.697 -4.381 2.160 347 HB3 LEU 47 3HB LEU 47 4.940 -2.952 2.807 348 HG LEU 47 HG LEU 47 4.560 -3.683 0.330 349 HD11 LEU 47 1HD1 LEU 47 5.166 -0.768 1.032 350 HD12 LEU 47 2HD1 LEU 47 3.656 -1.625 1.408 351 HD13 LEU 47 3HD1 LEU 47 4.103 -1.335 -0.275 352 HD21 LEU 47 3HD2 LEU 47 6.954 -3.684 -0.353 353 HD22 LEU 47 1HD2 LEU 47 6.993 -1.928 -0.138 354 HD23 LEU 47 2HD2 LEU 47 5.923 -2.659 -1.351 355 H GLU 48 H GLU 48 7.434 -4.543 4.373 356 HA GLU 48 HA GLU 48 6.661 -3.088 6.697 357 HB2 GLU 48 2HB GLU 48 6.797 -5.604 6.340 358 HB3 GLU 48 3HB GLU 48 8.550 -5.471 6.565 359 HG2 GLU 48 2HG GLU 48 8.080 -4.409 8.809 360 HG3 GLU 48 3HG GLU 48 6.361 -4.733 8.550 361 H GLU 49 H GLU 49 9.911 -3.577 5.250 362 HA GLU 49 HA GLU 49 11.315 -2.085 7.302 363 HB2 GLU 49 2HB GLU 49 12.029 -2.876 4.455 364 HB3 GLU 49 3HB GLU 49 13.068 -1.867 5.472 365 HG2 GLU 49 2HG GLU 49 13.128 -3.626 7.207 366 HG3 GLU 49 3HG GLU 49 12.102 -4.660 6.215 367 H ILE 50 H ILE 50 9.940 -1.084 4.095 368 HA ILE 50 HA ILE 50 10.690 1.683 4.414 369 HB ILE 50 HB ILE 50 8.373 0.436 2.881 370 HG12 ILE 50 2HG1 ILE 50 10.507 -0.346 2.003 371 HG13 ILE 50 3HG1 ILE 50 9.746 0.752 0.876 372 HG21 ILE 50 1HG2 ILE 50 9.454 3.283 2.765 373 HG22 ILE 50 2HG2 ILE 50 8.360 2.567 1.564 374 HG23 ILE 50 3HG2 ILE 50 7.821 2.768 3.226 375 HD11 ILE 50 3HD1 ILE 50 11.323 2.551 1.593 376 HD12 ILE 50 1HD1 ILE 50 12.096 1.401 2.713 377 HD13 ILE 50 2HD1 ILE 50 12.149 1.113 0.970 378 H ALA 51 H ALA 51 7.757 -0.080 5.527 379 HA ALA 51 HA ALA 51 6.380 2.130 6.621 380 HB1 ALA 51 3HB ALA 51 6.500 -0.695 7.771 381 HB2 ALA 51 1HB ALA 51 5.184 0.478 7.919 382 HB3 ALA 51 2HB ALA 51 5.551 -0.256 6.345 383 H THR 52 H THR 52 8.833 0.010 8.166 384 HA THR 52 HA THR 52 8.705 1.415 10.706 385 HB THR 52 HB THR 52 10.708 -0.625 9.691 386 HG1 THR 52 HG1 THR 52 8.771 -1.563 9.665 387 HG21 THR 52 3HG2 THR 52 10.967 -1.166 12.086 388 HG22 THR 52 1HG2 THR 52 9.947 0.223 12.523 389 HG23 THR 52 2HG2 THR 52 11.528 0.473 11.740 390 H GLU 53 H GLU 53 10.897 1.637 7.915 391 HA GLU 53 HA GLU 53 12.673 3.480 9.389 392 HB2 GLU 53 2HB GLU 53 12.961 2.202 6.653 393 HB3 GLU 53 3HB GLU 53 14.173 3.157 7.499 394 HG2 GLU 53 2HG GLU 53 14.019 1.494 9.426 395 HG3 GLU 53 3HG GLU 53 13.101 0.444 8.358 396 H ARG 54 H ARG 54 10.129 3.876 7.044 397 HA ARG 54 HA ARG 54 10.953 6.738 6.659 398 HB2 ARG 54 2HB ARG 54 9.452 5.019 4.650 399 HB3 ARG 54 3HB ARG 54 9.946 6.687 4.433 400 HG2 ARG 54 2HG ARG 54 11.854 4.326 4.745 401 HG3 ARG 54 3HG ARG 54 11.414 5.106 3.230 402 HD2 ARG 54 2HD ARG 54 12.432 7.207 3.924 403 HD3 ARG 54 3HD ARG 54 12.765 6.589 5.529 404 HE ARG 54 HE ARG 54 14.132 5.777 3.000 405 HH11 ARG 54 1HH2 ARG 54 14.116 5.513 6.536 406 HH12 ARG 54 2HH2 ARG 54 15.767 4.944 6.530 407 HH21 ARG 54 1HH1 ARG 54 16.128 5.061 3.126 408 HH22 ARG 54 2HH1 ARG 54 16.893 4.721 4.669 409 H ALA 55 H ALA 55 9.178 5.421 8.690 410 HA ALA 55 HA ALA 55 6.509 6.197 8.488 411 HB1 ALA 55 3HB ALA 55 6.582 6.254 10.954 412 HB2 ALA 55 1HB ALA 55 7.492 4.871 10.328 413 HB3 ALA 55 2HB ALA 55 8.356 6.308 10.913 414 H THR 56 H THR 56 9.307 8.303 8.938 415 HA THR 56 HA THR 56 7.936 10.670 9.847 416 HB THR 56 HB THR 56 10.097 11.774 9.099 417 HG1 THR 56 HG1 THR 56 11.748 10.359 8.494 418 HG21 THR 56 3HG2 THR 56 10.430 9.304 10.866 419 HG22 THR 56 1HG2 THR 56 9.812 10.882 11.403 420 HG23 THR 56 2HG2 THR 56 11.482 10.737 10.828 421 H ASP 57 H ASP 57 8.288 9.266 6.654 422 HA ASP 57 HA ASP 57 7.292 11.812 5.415 423 HB2 ASP 57 2HB ASP 57 9.620 10.928 4.786 424 HB3 ASP 57 3HB ASP 57 8.776 9.611 3.964 425 H LEU 58 H LEU 58 6.847 8.289 5.533 426 HA LEU 58 HA LEU 58 4.251 8.539 4.052 427 HB2 LEU 58 2HB LEU 58 6.060 6.103 4.288 428 HB3 LEU 58 3HB LEU 58 4.560 6.218 3.378 429 HG LEU 58 HG LEU 58 7.199 7.566 2.714 430 HD11 LEU 58 1HD1 LEU 58 5.561 5.382 1.346 431 HD12 LEU 58 2HD1 LEU 58 7.077 5.149 2.247 432 HD13 LEU 58 3HD1 LEU 58 7.076 6.072 0.735 433 HD21 LEU 58 3HD2 LEU 58 5.477 9.085 1.986 434 HD22 LEU 58 1HD2 LEU 58 4.490 7.753 1.327 435 HD23 LEU 58 2HD2 LEU 58 6.034 8.207 0.566 436 H THR 59 H THR 59 2.487 7.328 4.856 437 HA THR 59 HA THR 59 2.994 5.603 7.271 438 HB THR 59 HB THR 59 0.354 6.818 6.386 439 HG1 THR 59 HG1 THR 59 0.494 7.705 8.491 440 HG21 THR 59 3HG2 THR 59 -0.036 4.540 7.251 441 HG22 THR 59 1HG2 THR 59 -0.556 5.736 8.438 442 HG23 THR 59 2HG2 THR 59 0.988 4.885 8.666 443 H VAL 60 H VAL 60 2.994 3.454 6.789 444 HA VAL 60 HA VAL 60 2.084 2.660 4.057 445 HB VAL 60 HB VAL 60 3.997 1.274 5.913 446 HG11 VAL 60 1HG1 VAL 60 3.119 0.587 3.070 447 HG12 VAL 60 2HG1 VAL 60 4.483 -0.173 3.920 448 HG13 VAL 60 3HG1 VAL 60 2.842 -0.395 4.526 449 HG21 VAL 60 3HG2 VAL 60 4.994 3.298 4.920 450 HG22 VAL 60 1HG2 VAL 60 5.684 1.854 4.167 451 HG23 VAL 60 2HG2 VAL 60 4.451 2.794 3.306 452 H ALA 61 H ALA 61 0.344 1.558 3.807 453 HA ALA 61 HA ALA 61 -0.825 -0.038 6.030 454 HB1 ALA 61 3HB ALA 61 -3.042 0.765 5.302 455 HB2 ALA 61 1HB ALA 61 -1.999 2.120 5.777 456 HB3 ALA 61 2HB ALA 61 -2.272 1.771 4.060 457 H LYS 62 H LYS 62 -2.337 -1.701 5.296 458 HA LYS 62 HA LYS 62 -1.860 -2.731 2.525 459 HB2 LYS 62 2HB LYS 62 -2.191 -4.397 5.045 460 HB3 LYS 62 3HB LYS 62 -1.929 -4.984 3.400 461 HG2 LYS 62 2HG LYS 62 0.313 -3.775 3.407 462 HG3 LYS 62 3HG LYS 62 0.029 -3.389 5.107 463 HD2 LYS 62 2HD LYS 62 1.425 -5.288 5.124 464 HD3 LYS 62 3HD LYS 62 -0.188 -5.882 5.551 465 HE2 LYS 62 2HE LYS 62 -0.498 -6.544 3.123 466 HE3 LYS 62 3HE LYS 62 1.159 -6.032 2.808 467 HZ1 LYS 62 3HZ LYS 62 0.357 -8.200 4.682 468 HZ2 LYS 62 1HZ LYS 62 1.901 -7.719 4.426 469 HZ3 LYS 62 2HZ LYS 62 1.040 -8.417 3.220 470 H LEU 63 H LEU 63 -3.575 -3.498 1.390 471 HA LEU 63 HA LEU 63 -6.242 -3.643 2.748 472 HB2 LEU 63 2HB LEU 63 -6.126 -1.706 1.220 473 HB3 LEU 63 3HB LEU 63 -5.680 -2.755 -0.107 474 HG LEU 63 HG LEU 63 -8.022 -1.995 -0.160 475 HD11 LEU 63 1HD1 LEU 63 -8.113 -4.985 0.279 476 HD12 LEU 63 2HD1 LEU 63 -7.291 -4.259 -1.103 477 HD13 LEU 63 3HD1 LEU 63 -9.026 -4.007 -0.868 478 HD21 LEU 63 3HD2 LEU 63 -9.699 -2.799 1.390 479 HD22 LEU 63 1HD2 LEU 63 -8.444 -1.924 2.269 480 HD23 LEU 63 2HD2 LEU 63 -8.487 -3.698 2.312 481 H ASP 64 H ASP 64 -6.811 -5.609 3.003 482 HA ASP 64 HA ASP 64 -5.612 -7.852 1.598 483 HB2 ASP 64 2HB ASP 64 -7.763 -7.563 3.744 484 HB3 ASP 64 3HB ASP 64 -7.216 -9.103 3.098 485 H VAL 65 H VAL 65 -6.289 -7.892 -0.570 486 HA VAL 65 HA VAL 65 -8.907 -7.088 -1.408 487 HB VAL 65 HB VAL 65 -8.391 -7.842 -3.600 488 HG11 VAL 65 1HG1 VAL 65 -7.247 -5.805 -2.754 489 HG12 VAL 65 2HG1 VAL 65 -5.813 -6.780 -2.391 490 HG13 VAL 65 3HG1 VAL 65 -6.383 -6.607 -4.066 491 HG21 VAL 65 3HG2 VAL 65 -5.945 -9.285 -2.544 492 HG22 VAL 65 1HG2 VAL 65 -7.405 -10.068 -3.183 493 HG23 VAL 65 2HG2 VAL 65 -6.403 -9.077 -4.243 494 H ASP 66 H ASP 66 -7.861 -10.072 -0.129 495 HA ASP 66 HA ASP 66 -9.834 -11.793 -1.374 496 HB2 ASP 66 2HB ASP 66 -7.581 -12.444 -0.364 497 HB3 ASP 66 3HB ASP 66 -8.324 -12.253 1.226 498 H THR 67 H THR 67 -9.884 -9.642 1.381 499 HA THR 67 HA THR 67 -12.667 -10.502 2.079 500 HB THR 67 HB THR 67 -12.237 -9.470 4.304 501 HG1 THR 67 HG1 THR 67 -10.039 -9.193 4.859 502 HG21 THR 67 3HG2 THR 67 -10.930 -11.316 5.209 503 HG22 THR 67 1HG2 THR 67 -10.288 -11.709 3.599 504 HG23 THR 67 2HG2 THR 67 -12.017 -11.927 3.951 505 H ASN 68 H ASN 68 -10.740 -7.839 0.892 506 HA ASN 68 HA ASN 68 -13.173 -6.095 0.972 507 HB2 ASN 68 2HB ASN 68 -10.259 -5.262 0.977 508 HB3 ASN 68 3HB ASN 68 -11.663 -4.204 1.093 509 HD21 ASN 68 1HD2 ASN 68 -9.742 -6.648 2.795 510 HD22 ASN 68 2HD2 ASN 68 -10.311 -6.196 4.393 511 HA PRO 69 HA PRO 69 -11.880 -6.952 -3.501 512 HB2 PRO 69 2HB PRO 69 -14.239 -7.946 -4.476 513 HB3 PRO 69 3HB PRO 69 -12.997 -8.962 -3.681 514 HG2 PRO 69 2HG PRO 69 -15.483 -7.747 -2.423 515 HG3 PRO 69 3HG PRO 69 -14.918 -9.448 -2.337 516 HD2 PRO 69 2HD PRO 69 -14.376 -7.689 -0.349 517 HD3 PRO 69 3HD PRO 69 -13.152 -8.888 -0.872 518 H GLU 70 H GLU 70 -14.680 -5.422 -1.955 519 HA GLU 70 HA GLU 70 -15.472 -3.700 -4.104 520 HB2 GLU 70 2HB GLU 70 -15.665 -3.309 -1.090 521 HB3 GLU 70 3HB GLU 70 -16.500 -2.332 -2.297 522 HG2 GLU 70 2HG GLU 70 -16.917 -5.321 -1.830 523 HG3 GLU 70 3HG GLU 70 -17.978 -4.028 -1.288 524 H THR 71 H THR 71 -13.125 -3.143 -1.409 525 HA THR 71 HA THR 71 -12.284 -0.550 -2.301 526 HB THR 71 HB THR 71 -10.532 -2.445 -0.777 527 HG1 THR 71 HG1 THR 71 -11.630 -1.575 1.072 528 HG21 THR 71 3HG2 THR 71 -9.644 -0.170 -1.371 529 HG22 THR 71 1HG2 THR 71 -9.861 -0.380 0.369 530 HG23 THR 71 2HG2 THR 71 -11.045 0.561 -0.562 531 H ALA 72 H ALA 72 -11.098 -3.843 -3.037 532 HA ALA 72 HA ALA 72 -8.828 -3.075 -4.580 533 HB1 ALA 72 3HB ALA 72 -10.541 -5.566 -4.906 534 HB2 ALA 72 1HB ALA 72 -8.823 -5.361 -5.308 535 HB3 ALA 72 2HB ALA 72 -9.348 -5.340 -3.613 536 H ARG 73 H ARG 73 -12.221 -3.709 -5.673 537 HA ARG 73 HA ARG 73 -11.513 -2.985 -8.407 538 HB2 ARG 73 2HB ARG 73 -13.713 -3.479 -9.029 539 HB3 ARG 73 3HB ARG 73 -13.249 -4.674 -7.821 540 HG2 ARG 73 2HG ARG 73 -14.516 -3.330 -6.102 541 HG3 ARG 73 3HG ARG 73 -15.052 -2.245 -7.392 542 HD2 ARG 73 2HD ARG 73 -16.081 -4.235 -8.555 543 HD3 ARG 73 3HD ARG 73 -15.603 -5.234 -7.182 544 HE ARG 73 HE ARG 73 -17.305 -4.346 -5.877 545 HH11 ARG 73 1HH1 ARG 73 -17.254 -2.530 -8.889 546 HH12 ARG 73 2HH1 ARG 73 -18.726 -1.685 -8.493 547 HH21 ARG 73 1HH2 ARG 73 -19.052 -3.130 -5.378 548 HH22 ARG 73 2HH2 ARG 73 -19.746 -2.054 -6.572 549 H ASN 74 H ASN 74 -12.743 -1.103 -5.707 550 HA ASN 74 HA ASN 74 -13.912 1.048 -7.025 551 HB2 ASN 74 2HB ASN 74 -13.949 0.728 -4.594 552 HB3 ASN 74 3HB ASN 74 -12.216 1.048 -4.486 553 HD21 ASN 74 2HD2 ASN 74 -11.527 3.242 -4.380 554 HD22 ASN 74 1HD2 ASN 74 -12.676 4.560 -4.465 555 H PHE 75 H PHE 75 -10.408 0.607 -6.444 556 HA PHE 75 HA PHE 75 -9.825 3.075 -8.017 557 HB2 PHE 75 2HB PHE 75 -7.937 1.385 -6.367 558 HB3 PHE 75 3HB PHE 75 -7.594 2.940 -7.097 559 HD1 PHE 75 HD2 PHE 75 -8.855 5.008 -6.254 560 HD2 PHE 75 HD1 PHE 75 -8.895 1.222 -4.189 561 HE1 PHE 75 HE2 PHE 75 -9.562 6.152 -4.164 562 HE2 PHE 75 HE1 PHE 75 -9.607 2.370 -2.102 563 HZ PHE 75 HZ PHE 75 -9.943 4.834 -2.089 564 H GLN 76 H GLN 76 -10.516 0.083 -8.928 565 HA GLN 76 HA GLN 76 -9.840 -1.536 -10.295 566 HB2 GLN 76 2HB GLN 76 -10.328 0.352 -11.870 567 HB3 GLN 76 3HB GLN 76 -8.580 0.617 -12.015 568 HG2 GLN 76 2HG GLN 76 -8.310 -1.730 -12.823 569 HG3 GLN 76 3HG GLN 76 -10.031 -2.007 -12.607 570 HE21 GLN 76 1HE2 GLN 76 -9.370 -2.644 -15.045 571 HE22 GLN 76 2HE2 GLN 76 -9.701 -1.360 -16.199 572 H VAL 77 H VAL 77 -8.342 -1.654 -8.173 573 HA VAL 77 HA VAL 77 -5.555 -2.172 -9.078 574 HB VAL 77 HB VAL 77 -4.863 -1.779 -6.809 575 HG11 VAL 77 1HG1 VAL 77 -6.340 0.614 -7.924 576 HG12 VAL 77 2HG1 VAL 77 -4.954 0.638 -6.822 577 HG13 VAL 77 3HG1 VAL 77 -4.766 0.048 -8.482 578 HG21 VAL 77 3HG2 VAL 77 -7.700 -0.809 -6.294 579 HG22 VAL 77 1HG2 VAL 77 -6.929 -2.235 -5.587 580 HG23 VAL 77 2HG2 VAL 77 -6.316 -0.614 -5.205 581 H VAL 78 H VAL 78 -7.973 -3.948 -9.115 582 HA VAL 78 HA VAL 78 -7.646 -6.080 -7.269 583 HB VAL 78 HB VAL 78 -8.856 -7.465 -8.928 584 HG11 VAL 78 1HG1 VAL 78 -10.059 -4.700 -8.570 585 HG12 VAL 78 2HG1 VAL 78 -10.938 -6.201 -8.913 586 HG13 VAL 78 3HG1 VAL 78 -10.092 -6.015 -7.371 587 HG21 VAL 78 3HG2 VAL 78 -9.708 -6.496 -11.006 588 HG22 VAL 78 1HG2 VAL 78 -8.785 -5.008 -10.744 589 HG23 VAL 78 2HG2 VAL 78 -7.945 -6.547 -11.047 590 H SER 79 H SER 79 -5.729 -5.261 -10.051 591 HA SER 79 HA SER 79 -4.484 -7.833 -10.501 592 HB2 SER 79 2HB SER 79 -3.602 -5.078 -11.415 593 HB3 SER 79 3HB SER 79 -3.078 -6.642 -12.066 594 HG SER 79 HG SER 79 -4.739 -5.735 -13.344 595 H ILE 80 H ILE 80 -4.015 -8.126 -8.118 596 HA ILE 80 HA ILE 80 -1.894 -6.592 -6.980 597 HB ILE 80 HB ILE 80 -1.922 -8.128 -5.114 598 HG12 ILE 80 2HG1 ILE 80 -4.031 -9.817 -6.477 599 HG13 ILE 80 3HG1 ILE 80 -2.322 -10.264 -6.392 600 HG21 ILE 80 1HG2 ILE 80 -4.777 -7.512 -5.970 601 HG22 ILE 80 2HG2 ILE 80 -4.109 -7.549 -4.327 602 HG23 ILE 80 3HG2 ILE 80 -3.626 -6.271 -5.443 603 HD11 ILE 80 3HD1 ILE 80 -3.470 -11.332 -4.549 604 HD12 ILE 80 1HD1 ILE 80 -2.387 -10.104 -3.911 605 HD13 ILE 80 2HD1 ILE 80 -4.133 -9.797 -3.994 606 HA PRO 81 HA PRO 81 -0.056 -6.943 -5.298 607 HB2 PRO 81 2HB PRO 81 2.654 -6.182 -6.247 608 HB3 PRO 81 3HB PRO 81 2.146 -6.816 -4.658 609 HG2 PRO 81 2HG PRO 81 3.546 -8.328 -6.477 610 HG3 PRO 81 3HG PRO 81 2.320 -9.031 -5.388 611 HD2 PRO 81 2HD PRO 81 2.006 -8.283 -8.295 612 HD3 PRO 81 3HD PRO 81 1.426 -9.726 -7.423 613 H THR 82 H THR 82 -0.644 -4.835 -5.162 614 HA THR 82 HA THR 82 0.366 -2.882 -7.153 615 HB THR 82 HB THR 82 -2.568 -3.236 -6.479 616 HG1 THR 82 HG1 THR 82 -1.639 -4.154 -8.416 617 HG21 THR 82 3HG2 THR 82 -2.851 -1.050 -7.737 618 HG22 THR 82 1HG2 THR 82 -1.113 -0.767 -7.508 619 HG23 THR 82 2HG2 THR 82 -2.209 -0.873 -6.109 620 H LEU 83 H LEU 83 1.341 -1.324 -6.140 621 HA LEU 83 HA LEU 83 0.533 -0.433 -3.405 622 HB2 LEU 83 2HB LEU 83 2.963 -0.026 -5.155 623 HB3 LEU 83 3HB LEU 83 2.531 1.177 -3.958 624 HG LEU 83 HG LEU 83 2.740 -0.464 -2.149 625 HD11 LEU 83 1HD1 LEU 83 3.869 -2.641 -2.586 626 HD12 LEU 83 2HD1 LEU 83 3.691 -2.373 -4.334 627 HD13 LEU 83 3HD1 LEU 83 2.260 -2.579 -3.298 628 HD21 LEU 83 3HD2 LEU 83 4.651 0.947 -2.908 629 HD22 LEU 83 1HD2 LEU 83 5.146 -0.333 -4.026 630 HD23 LEU 83 2HD2 LEU 83 5.198 -0.605 -2.269 631 H ILE 84 H ILE 84 -0.734 1.346 -3.282 632 HA ILE 84 HA ILE 84 -0.654 3.297 -5.530 633 HB ILE 84 HB ILE 84 -2.801 1.859 -5.358 634 HG12 ILE 84 2HG1 ILE 84 -2.508 3.778 -6.859 635 HG13 ILE 84 3HG1 ILE 84 -4.149 3.522 -6.295 636 HG21 ILE 84 1HG2 ILE 84 -3.128 2.104 -2.973 637 HG22 ILE 84 2HG2 ILE 84 -3.446 3.829 -3.183 638 HG23 ILE 84 3HG2 ILE 84 -4.545 2.640 -3.914 639 HD11 ILE 84 3HD1 ILE 84 -3.945 5.444 -4.736 640 HD12 ILE 84 1HD1 ILE 84 -2.285 5.721 -5.313 641 HD13 ILE 84 2HD1 ILE 84 -3.645 5.894 -6.419 642 H LEU 85 H LEU 85 -0.036 5.219 -4.981 643 HA LEU 85 HA LEU 85 0.440 5.850 -2.111 644 HB2 LEU 85 2HB LEU 85 2.412 5.600 -3.672 645 HB3 LEU 85 3HB LEU 85 1.749 6.895 -4.637 646 HG LEU 85 HG LEU 85 1.972 8.446 -2.676 647 HD11 LEU 85 1HD1 LEU 85 1.973 6.820 -0.828 648 HD12 LEU 85 2HD1 LEU 85 3.403 7.850 -0.810 649 HD13 LEU 85 3HD1 LEU 85 3.540 6.186 -1.408 650 HD21 LEU 85 3HD2 LEU 85 3.711 8.364 -4.407 651 HD22 LEU 85 1HD2 LEU 85 4.498 6.999 -3.584 652 HD23 LEU 85 2HD2 LEU 85 4.454 8.596 -2.813 653 H PHE 86 H PHE 86 -0.861 7.242 -1.232 654 HA PHE 86 HA PHE 86 -2.234 9.354 -2.806 655 HB2 PHE 86 2HB PHE 86 -2.685 8.435 0.061 656 HB3 PHE 86 3HB PHE 86 -3.619 9.648 -0.794 657 HD1 PHE 86 HD2 PHE 86 -2.925 6.019 -0.478 658 HD2 PHE 86 HD1 PHE 86 -5.374 9.014 -2.365 659 HE1 PHE 86 HE2 PHE 86 -4.524 4.269 -1.199 660 HE2 PHE 86 HE1 PHE 86 -6.923 7.250 -3.168 661 HZ PHE 86 HZ PHE 86 -6.498 4.868 -2.587 662 H LYS 87 H LYS 87 -1.971 11.522 -2.244 663 HA LYS 87 HA LYS 87 -0.188 12.198 0.036 664 HB2 LYS 87 2HB LYS 87 -0.126 13.726 -2.570 665 HB3 LYS 87 3HB LYS 87 0.773 14.090 -1.100 666 HG2 LYS 87 2HG LYS 87 1.968 11.869 -1.317 667 HG3 LYS 87 3HG LYS 87 1.116 11.604 -2.837 668 HD2 LYS 87 2HD LYS 87 3.166 12.428 -3.556 669 HD3 LYS 87 3HD LYS 87 2.128 13.857 -3.615 670 HE2 LYS 87 2HE LYS 87 3.027 14.382 -1.237 671 HE3 LYS 87 3HE LYS 87 4.219 13.103 -1.528 672 HZ1 LYS 87 3HZ LYS 87 3.881 15.556 -3.181 673 HZ2 LYS 87 1HZ LYS 87 4.968 14.376 -3.491 674 HZ3 LYS 87 2HZ LYS 87 5.101 15.281 -2.138 675 H ASP 88 H ASP 88 -1.112 13.599 1.428 676 HA ASP 88 HA ASP 88 -2.829 14.603 2.512 677 HB2 ASP 88 2HB ASP 88 -1.838 16.421 1.123 678 HB3 ASP 88 3HB ASP 88 -3.112 16.176 -0.068 679 H GLY 89 H GLY 89 -3.616 12.132 1.435 680 HA2 GLY 89 2HA GLY 89 -5.453 10.825 1.193 681 HA3 GLY 89 3HA GLY 89 -6.470 12.195 1.613 682 H GLN 90 H GLN 90 -4.481 12.679 -1.219 683 HA GLN 90 HA GLN 90 -6.700 11.827 -3.041 684 HB2 GLN 90 2HB GLN 90 -4.729 14.118 -3.375 685 HB3 GLN 90 3HB GLN 90 -5.878 13.561 -4.601 686 HG2 GLN 90 2HG GLN 90 -7.767 14.077 -3.049 687 HG3 GLN 90 3HG GLN 90 -6.614 14.697 -1.864 688 HE21 GLN 90 1HE2 GLN 90 -8.384 16.535 -2.369 689 HE22 GLN 90 2HE2 GLN 90 -7.820 17.713 -3.547 690 HA PRO 91 HA PRO 91 -3.656 8.972 -4.529 691 HB2 PRO 91 2HB PRO 91 -4.642 8.245 -6.977 692 HB3 PRO 91 3HB PRO 91 -5.393 7.764 -5.425 693 HG2 PRO 91 2HG PRO 91 -6.166 10.078 -7.230 694 HG3 PRO 91 3HG PRO 91 -7.236 8.843 -6.492 695 HD2 PRO 91 2HD PRO 91 -6.900 11.305 -5.375 696 HD3 PRO 91 3HD PRO 91 -7.070 9.841 -4.357 697 H VAL 92 H VAL 92 -1.719 9.035 -5.541 698 HA VAL 92 HA VAL 92 -1.184 11.195 -7.561 699 HB VAL 92 HB VAL 92 0.414 10.469 -5.080 700 HG11 VAL 92 1HG1 VAL 92 2.038 10.869 -6.874 701 HG12 VAL 92 2HG1 VAL 92 1.168 12.340 -7.369 702 HG13 VAL 92 3HG1 VAL 92 1.994 12.260 -5.800 703 HG21 VAL 92 3HG2 VAL 92 0.089 12.957 -4.678 704 HG22 VAL 92 1HG2 VAL 92 -1.009 12.991 -6.060 705 HG23 VAL 92 2HG2 VAL 92 -1.408 12.023 -4.626 706 H LYS 93 H LYS 93 -0.054 7.976 -6.379 707 HA LYS 93 HA LYS 93 0.992 7.442 -9.115 708 HB2 LYS 93 2HB LYS 93 2.821 8.514 -7.862 709 HB3 LYS 93 3HB LYS 93 2.711 7.288 -6.600 710 HG2 LYS 93 2HG LYS 93 3.446 5.548 -8.127 711 HG3 LYS 93 3HG LYS 93 3.328 6.657 -9.512 712 HD2 LYS 93 2HD LYS 93 5.134 8.050 -8.536 713 HD3 LYS 93 3HD LYS 93 5.258 6.923 -7.159 714 HE2 LYS 93 2HE LYS 93 5.811 5.077 -8.684 715 HE3 LYS 93 3HE LYS 93 5.585 6.134 -10.092 716 HZ1 LYS 93 3HZ LYS 93 7.651 6.448 -8.005 717 HZ2 LYS 93 1HZ LYS 93 7.448 7.484 -9.268 718 HZ3 LYS 93 2HZ LYS 93 7.906 5.896 -9.527 719 H ARG 94 H ARG 94 1.329 5.283 -9.648 720 HA ARG 94 HA ARG 94 0.479 3.187 -7.706 721 HB2 ARG 94 2HB ARG 94 -1.379 3.676 -9.300 722 HB3 ARG 94 3HB ARG 94 -0.303 3.279 -10.648 723 HG2 ARG 94 2HG ARG 94 -0.040 0.963 -9.701 724 HG3 ARG 94 3HG ARG 94 -1.173 1.400 -8.406 725 HD2 ARG 94 2HD ARG 94 -2.947 1.750 -10.042 726 HD3 ARG 94 3HD ARG 94 -1.813 1.467 -11.383 727 HE ARG 94 HE ARG 94 -1.645 -0.821 -9.780 728 HH11 ARG 94 1HH2 ARG 94 -4.199 0.684 -11.632 729 HH12 ARG 94 2HH2 ARG 94 -5.170 -0.763 -11.602 730 HH21 ARG 94 1HH1 ARG 94 -2.819 -2.657 -9.954 731 HH22 ARG 94 2HH1 ARG 94 -4.213 -2.681 -11.025 732 H ILE 95 H ILE 95 1.662 1.369 -7.683 733 HA ILE 95 HA ILE 95 3.696 0.777 -9.784 734 HB ILE 95 HB ILE 95 4.239 0.551 -6.792 735 HG12 ILE 95 2HG1 ILE 95 5.713 2.602 -8.452 736 HG13 ILE 95 3HG1 ILE 95 4.200 3.035 -7.667 737 HG21 ILE 95 1HG2 ILE 95 6.602 0.155 -7.502 738 HG22 ILE 95 2HG2 ILE 95 5.497 -1.060 -8.124 739 HG23 ILE 95 3HG2 ILE 95 6.083 0.239 -9.195 740 HD11 ILE 95 3HD1 ILE 95 5.042 2.423 -5.467 741 HD12 ILE 95 1HD1 ILE 95 6.612 1.975 -6.166 742 HD13 ILE 95 2HD1 ILE 95 6.051 3.656 -6.244 743 H VAL 96 H VAL 96 3.853 -1.371 -10.290 744 HA VAL 96 HA VAL 96 2.060 -3.201 -8.787 745 HB VAL 96 HB VAL 96 1.201 -4.002 -10.806 746 HG11 VAL 96 1HG1 VAL 96 -0.247 -2.213 -11.456 747 HG12 VAL 96 2HG1 VAL 96 0.118 -2.043 -9.725 748 HG13 VAL 96 3HG1 VAL 96 0.922 -0.992 -10.913 749 HG21 VAL 96 3HG2 VAL 96 1.554 -2.956 -13.016 750 HG22 VAL 96 1HG2 VAL 96 2.794 -1.897 -12.318 751 HG23 VAL 96 2HG2 VAL 96 3.055 -3.654 -12.398 752 H GLY 97 H GLY 97 2.406 -5.403 -8.940 753 HA2 GLY 97 2HA GLY 97 3.719 -7.337 -9.012 754 HA3 GLY 97 3HA GLY 97 4.847 -6.540 -10.093 755 H ALA 98 H ALA 98 5.951 -8.138 -8.263 756 HA ALA 98 HA ALA 98 6.690 -6.750 -5.815 757 HB1 ALA 98 3HB ALA 98 6.600 -9.193 -5.917 758 HB2 ALA 98 1HB ALA 98 7.875 -9.213 -7.159 759 HB3 ALA 98 2HB ALA 98 8.233 -8.648 -5.512 760 H LYS 99 H LYS 99 8.731 -5.972 -5.257 761 HA LYS 99 HA LYS 99 10.866 -5.704 -7.260 762 HB2 LYS 99 2HB LYS 99 9.733 -3.315 -5.755 763 HB3 LYS 99 3HB LYS 99 11.377 -3.377 -6.343 764 HG2 LYS 99 2HG LYS 99 10.505 -2.381 -8.154 765 HG3 LYS 99 3HG LYS 99 10.208 -4.043 -8.646 766 HD2 LYS 99 2HD LYS 99 7.834 -3.692 -7.507 767 HD3 LYS 99 3HD LYS 99 8.287 -1.985 -7.498 768 HE2 LYS 99 2HE LYS 99 7.212 -2.128 -9.538 769 HE3 LYS 99 3HE LYS 99 8.892 -2.365 -10.022 770 HZ1 LYS 99 3HZ LYS 99 8.223 -4.882 -9.685 771 HZ2 LYS 99 1HZ LYS 99 7.787 -4.107 -11.073 772 HZ3 LYS 99 2HZ LYS 99 6.691 -4.299 -9.888 773 H GLY 100 H GLY 100 12.977 -5.355 -6.187 774 HA2 GLY 100 2HA GLY 100 13.192 -6.252 -3.371 775 HA3 GLY 100 3HA GLY 100 14.518 -5.849 -4.467 776 H LYS 101 H LYS 101 14.256 -4.810 -1.845 777 HA LYS 101 HA LYS 101 13.053 -2.344 -1.465 778 HB2 LYS 101 2HB LYS 101 14.461 -3.789 0.132 779 HB3 LYS 101 3HB LYS 101 15.873 -2.941 -0.487 780 HG2 LYS 101 2HG LYS 101 14.896 -0.760 0.227 781 HG3 LYS 101 3HG LYS 101 13.442 -1.592 0.801 782 HD2 LYS 101 2HD LYS 101 14.889 -2.901 2.388 783 HD3 LYS 101 3HD LYS 101 16.277 -1.929 1.854 784 HE2 LYS 101 2HE LYS 101 15.015 0.150 2.569 785 HE3 LYS 101 3HE LYS 101 13.719 -0.897 3.166 786 HZ1 LYS 101 3HZ LYS 101 15.263 -0.372 4.989 787 HZ2 LYS 101 1HZ LYS 101 16.537 -0.930 4.134 788 HZ3 LYS 101 2HZ LYS 101 15.380 -1.970 4.638 789 H ALA 102 H ALA 102 15.987 -2.825 -3.284 790 HA ALA 102 HA ALA 102 16.753 -0.049 -3.421 791 HB1 ALA 102 3HB ALA 102 17.314 -2.320 -5.388 792 HB2 ALA 102 1HB ALA 102 18.162 -0.760 -5.326 793 HB3 ALA 102 2HB ALA 102 18.295 -1.891 -3.967 794 H ALA 103 H ALA 103 14.788 -2.017 -5.711 795 HA ALA 103 HA ALA 103 14.139 0.312 -7.369 796 HB1 ALA 103 3HB ALA 103 13.191 -2.580 -7.409 797 HB2 ALA 103 1HB ALA 103 12.794 -1.345 -8.626 798 HB3 ALA 103 2HB ALA 103 14.475 -1.857 -8.395 799 H LEU 104 H LEU 104 12.424 -1.544 -4.759 800 HA LEU 104 HA LEU 104 9.924 -0.164 -5.115 801 HB2 LEU 104 2HB LEU 104 10.573 -2.359 -3.802 802 HB3 LEU 104 3HB LEU 104 11.018 -1.277 -2.505 803 HG LEU 104 HG LEU 104 8.853 -2.220 -2.105 804 HD11 LEU 104 1HD1 LEU 104 8.304 0.631 -2.950 805 HD12 LEU 104 2HD1 LEU 104 9.202 0.187 -1.473 806 HD13 LEU 104 3HD1 LEU 104 7.512 -0.297 -1.680 807 HD21 LEU 104 3HD2 LEU 104 7.893 -1.052 -4.740 808 HD22 LEU 104 1HD2 LEU 104 6.904 -1.871 -3.514 809 HD23 LEU 104 2HD2 LEU 104 8.143 -2.777 -4.361 810 H LEU 105 H LEU 105 12.756 0.506 -2.908 811 HA LEU 105 HA LEU 105 11.642 2.992 -2.015 812 HB2 LEU 105 2HB LEU 105 13.469 1.882 -0.797 813 HB3 LEU 105 3HB LEU 105 14.578 2.231 -2.103 814 HG LEU 105 HG LEU 105 14.575 3.696 0.006 815 HD11 LEU 105 1HD1 LEU 105 15.976 4.232 -1.801 816 HD12 LEU 105 2HD1 LEU 105 15.232 5.730 -1.225 817 HD13 LEU 105 3HD1 LEU 105 14.670 4.975 -2.726 818 HD21 LEU 105 3HD2 LEU 105 13.218 5.619 0.196 819 HD22 LEU 105 1HD2 LEU 105 12.168 4.197 0.144 820 HD23 LEU 105 2HD2 LEU 105 12.318 5.249 -1.275 821 H ARG 106 H ARG 106 13.836 2.306 -4.905 822 HA ARG 106 HA ARG 106 14.097 5.005 -5.663 823 HB2 ARG 106 2HB ARG 106 15.323 3.339 -6.791 824 HB3 ARG 106 3HB ARG 106 13.888 2.440 -7.232 825 HG2 ARG 106 2HG ARG 106 15.059 3.549 -9.113 826 HG3 ARG 106 3HG ARG 106 13.333 3.854 -9.002 827 HD2 ARG 106 2HD ARG 106 14.741 5.804 -9.674 828 HD3 ARG 106 3HD ARG 106 13.630 6.084 -8.347 829 HE ARG 106 HE ARG 106 16.584 5.602 -7.999 830 HH11 ARG 106 1HH2 ARG 106 13.720 7.362 -6.977 831 HH12 ARG 106 2HH2 ARG 106 14.586 8.165 -5.689 832 HH21 ARG 106 1HH1 ARG 106 17.615 6.760 -6.384 833 HH22 ARG 106 2HH1 ARG 106 16.709 7.912 -5.443 834 H GLU 107 H GLU 107 11.411 2.842 -6.565 835 HA GLU 107 HA GLU 107 9.932 4.873 -7.940 836 HB2 GLU 107 2HB GLU 107 9.166 2.157 -6.843 837 HB3 GLU 107 3HB GLU 107 8.038 3.179 -7.709 838 HG2 GLU 107 2HG GLU 107 10.660 2.109 -8.810 839 HG3 GLU 107 3HG GLU 107 9.040 1.546 -9.203 840 H LEU 108 H LEU 108 9.842 3.944 -4.476 841 HA LEU 108 HA LEU 108 7.716 5.947 -3.981 842 HB2 LEU 108 2HB LEU 108 9.464 4.330 -2.090 843 HB3 LEU 108 3HB LEU 108 8.189 5.436 -1.580 844 HG LEU 108 HG LEU 108 7.792 2.938 -3.262 845 HD11 LEU 108 1HD1 LEU 108 8.332 2.503 -0.879 846 HD12 LEU 108 2HD1 LEU 108 6.654 2.071 -1.241 847 HD13 LEU 108 3HD1 LEU 108 7.010 3.581 -0.380 848 HD21 LEU 108 3HD2 LEU 108 6.065 4.567 -3.859 849 HD22 LEU 108 1HD2 LEU 108 5.745 4.901 -2.141 850 HD23 LEU 108 2HD2 LEU 108 5.365 3.312 -2.847 851 H SER 109 H SER 109 11.150 5.942 -4.065 852 HA SER 109 HA SER 109 11.763 8.245 -2.512 853 HB2 SER 109 2HB SER 109 13.448 6.768 -2.709 854 HB3 SER 109 3HB SER 109 13.331 6.672 -4.471 855 HG SER 109 HG SER 109 14.134 8.969 -2.995 856 H ASP 110 H ASP 110 10.806 7.715 -5.845 857 HA ASP 110 HA ASP 110 10.943 10.278 -7.010 858 HB2 ASP 110 2HB ASP 110 9.911 8.088 -7.843 859 HB3 ASP 110 3HB ASP 110 8.489 8.490 -6.880 860 H VAL 111 H VAL 111 9.013 9.299 -4.179 861 HA VAL 111 HA VAL 111 8.248 12.141 -3.672 862 HB VAL 111 HB VAL 111 7.004 9.507 -2.856 863 HG11 VAL 111 1HG1 VAL 111 6.966 10.847 -0.815 864 HG12 VAL 111 2HG1 VAL 111 6.404 12.273 -1.715 865 HG13 VAL 111 3HG1 VAL 111 5.355 10.843 -1.526 866 HG21 VAL 111 3HG2 VAL 111 4.971 10.606 -3.848 867 HG22 VAL 111 1HG2 VAL 111 5.974 11.997 -4.294 868 HG23 VAL 111 2HG2 VAL 111 6.281 10.403 -5.014 869 H VAL 112 H VAL 112 9.441 9.207 -1.949 870 HA VAL 112 HA VAL 112 10.201 10.513 0.493 871 HB VAL 112 HB VAL 112 10.989 7.812 -0.651 872 HG11 VAL 112 1HG1 VAL 112 12.661 8.298 0.953 873 HG12 VAL 112 2HG1 VAL 112 11.470 8.969 2.117 874 HG13 VAL 112 3HG1 VAL 112 11.508 7.233 1.726 875 HG21 VAL 112 3HG2 VAL 112 9.351 6.942 0.924 876 HG22 VAL 112 1HG2 VAL 112 8.960 8.589 1.463 877 HG23 VAL 112 2HG2 VAL 112 8.576 8.072 -0.191 878 HA PRO 113 HA PRO 113 13.979 12.183 -1.256 879 HB2 PRO 113 2HB PRO 113 14.704 13.931 0.743 880 HB3 PRO 113 3HB PRO 113 13.342 14.268 -0.372 881 HG2 PRO 113 2HG PRO 113 13.209 13.038 2.406 882 HG3 PRO 113 3HG PRO 113 12.257 14.415 1.765 883 HD2 PRO 113 2HD PRO 113 11.291 11.864 1.790 884 HD3 PRO 113 3HD PRO 113 10.907 12.998 0.461 885 H ASN 114 H ASN 114 13.434 10.198 1.304 886 HA ASN 114 HA ASN 114 14.484 8.496 2.245 887 HB2 ASN 114 2HB ASN 114 15.200 8.217 -0.160 888 HB3 ASN 114 3HB ASN 114 16.756 8.919 0.284 889 HD21 ASN 114 1HD2 ASN 114 18.303 7.322 0.624 890 HD22 ASN 114 2HD2 ASN 114 17.902 5.718 1.219 891 H LEU 115 H LEU 115 15.871 7.716 3.712 892 HA LEU 115 HA LEU 115 17.839 9.625 4.934 893 HB2 LEU 115 2HB LEU 115 15.998 7.684 6.348 894 HB3 LEU 115 3HB LEU 115 17.263 8.629 7.119 895 HG LEU 115 HG LEU 115 14.830 9.807 5.701 896 HD11 LEU 115 1HD1 LEU 115 15.456 9.495 8.665 897 HD12 LEU 115 2HD1 LEU 115 14.228 8.590 7.751 898 HD13 LEU 115 3HD1 LEU 115 14.052 10.338 7.971 899 HD21 LEU 115 3HD2 LEU 115 16.981 11.120 7.425 900 HD22 LEU 115 1HD2 LEU 115 15.494 11.908 6.851 901 HD23 LEU 115 2HD2 LEU 115 16.715 11.393 5.687 902 H ASN 116 H ASN 116 20.149 7.005 4.042 903 HA ASN 116 HA ASN 116 18.694 9.121 2.639 904 HB2 ASN 116 2HB ASN 116 19.848 10.351 4.533 905 HB3 ASN 116 3HB ASN 116 21.384 9.739 3.929 906 HD21 ASN 116 1HD2 ASN 116 18.434 11.424 2.651 907 HD22 ASN 116 2HD2 ASN 116 19.368 12.555 1.681 Start of MODEL 7 1 H1 MET 1 1H MET 1 -1.714 -8.976 18.579 2 H2 MET 1 2H MET 1 -1.802 -10.613 18.621 3 HA MET 1 HA MET 1 -1.466 -9.766 20.843 4 HB2 MET 1 2HB MET 1 -0.417 -11.954 20.013 5 HB3 MET 1 3HB MET 1 1.106 -11.080 19.851 6 HG2 MET 1 2HG MET 1 1.045 -10.574 22.286 7 HG3 MET 1 3HG MET 1 -0.485 -11.439 22.429 8 HE1 MET 1 3HE MET 1 -0.746 -14.021 22.427 9 HE2 MET 1 1HE MET 1 -0.122 -14.135 20.764 10 HE3 MET 1 2HE MET 1 0.551 -15.170 22.038 11 H THR 2 H THR 2 0.127 -8.659 22.377 12 HA THR 2 HA THR 2 1.186 -6.170 21.410 13 HB THR 2 HB THR 2 2.437 -6.201 23.620 14 HG1 THR 2 HG1 THR 2 1.877 -7.870 25.033 15 HG21 THR 2 3HG2 THR 2 0.427 -5.972 25.002 16 HG22 THR 2 1HG2 THR 2 -0.552 -6.814 23.780 17 HG23 THR 2 2HG2 THR 2 0.161 -5.226 23.417 18 H ASP 3 H ASP 3 2.686 -9.363 21.835 19 HA ASP 3 HA ASP 3 5.365 -8.661 21.174 20 HB2 ASP 3 2HB ASP 3 4.649 -10.750 22.281 21 HB3 ASP 3 3HB ASP 3 3.830 -11.263 20.805 22 H SER 4 H SER 4 2.582 -8.866 19.060 23 HA SER 4 HA SER 4 4.013 -9.469 16.609 24 HB2 SER 4 2HB SER 4 1.310 -8.122 16.864 25 HB3 SER 4 3HB SER 4 1.925 -9.076 15.513 26 HG SER 4 HG SER 4 1.844 -10.926 16.842 27 H GLU 5 H GLU 5 3.838 -6.614 18.471 28 HA GLU 5 HA GLU 5 3.613 -4.720 16.294 29 HB2 GLU 5 2HB GLU 5 2.689 -4.619 18.714 30 HB3 GLU 5 3HB GLU 5 4.279 -4.009 19.151 31 HG2 GLU 5 2HG GLU 5 3.949 -2.151 17.551 32 HG3 GLU 5 3HG GLU 5 2.394 -2.840 17.108 33 H LYS 6 H LYS 6 5.996 -6.405 16.100 34 HA LYS 6 HA LYS 6 8.320 -4.707 16.677 35 HB2 LYS 6 2HB LYS 6 8.107 -7.298 15.085 36 HB3 LYS 6 3HB LYS 6 9.610 -6.481 15.534 37 HG2 LYS 6 2HG LYS 6 8.944 -6.713 17.964 38 HG3 LYS 6 3HG LYS 6 7.579 -7.710 17.433 39 HD2 LYS 6 2HD LYS 6 9.223 -9.291 16.341 40 HD3 LYS 6 3HD LYS 6 10.537 -8.282 16.959 41 HE2 LYS 6 2HE LYS 6 10.374 -10.041 18.526 42 HE3 LYS 6 3HE LYS 6 9.601 -8.655 19.301 43 HZ1 LYS 6 3HZ LYS 6 8.178 -10.544 19.605 44 HZ2 LYS 6 1HZ LYS 6 8.231 -10.960 18.018 45 HZ3 LYS 6 2HZ LYS 6 7.433 -9.617 18.511 46 H SER 7 H SER 7 6.114 -4.797 14.147 47 HA SER 7 HA SER 7 7.794 -2.978 12.494 48 HB2 SER 7 2HB SER 7 6.727 -3.879 10.464 49 HB3 SER 7 3HB SER 7 7.739 -5.066 11.303 50 HG SER 7 HG SER 7 5.780 -6.005 10.687 51 H ALA 8 H ALA 8 6.614 -1.443 11.205 52 HA ALA 8 HA ALA 8 4.313 -0.423 12.780 53 HB1 ALA 8 3HB ALA 8 5.092 1.768 12.188 54 HB2 ALA 8 1HB ALA 8 6.466 0.809 12.769 55 HB3 ALA 8 2HB ALA 8 6.247 1.095 11.026 56 H THR 9 H THR 9 3.622 -2.318 10.715 57 HA THR 9 HA THR 9 2.250 -0.701 8.637 58 HB THR 9 HB THR 9 1.439 -2.930 7.826 59 HG1 THR 9 HG1 THR 9 2.521 -4.746 8.655 60 HG21 THR 9 3HG2 THR 9 3.574 -3.643 6.866 61 HG22 THR 9 1HG2 THR 9 4.466 -2.682 8.064 62 HG23 THR 9 2HG2 THR 9 3.445 -1.878 6.846 63 H ILE 10 H ILE 10 -0.001 -0.828 8.272 64 HA ILE 10 HA ILE 10 -1.737 -1.735 10.525 65 HB ILE 10 HB ILE 10 -3.198 0.195 10.199 66 HG12 ILE 10 2HG1 ILE 10 -1.026 1.368 8.405 67 HG13 ILE 10 3HG1 ILE 10 -2.590 0.758 7.856 68 HG21 ILE 10 1HG2 ILE 10 -1.404 0.147 11.952 69 HG22 ILE 10 2HG2 ILE 10 -0.368 1.099 10.867 70 HG23 ILE 10 3HG2 ILE 10 -1.893 1.775 11.476 71 HD11 ILE 10 3HD1 ILE 10 -3.737 2.484 9.247 72 HD12 ILE 10 1HD1 ILE 10 -2.141 3.171 9.646 73 HD13 ILE 10 2HD1 ILE 10 -2.702 3.152 7.969 74 H LYS 11 H LYS 11 -3.922 -2.325 9.909 75 HA LYS 11 HA LYS 11 -4.215 -3.042 7.018 76 HB2 LYS 11 2HB LYS 11 -4.367 -4.931 8.538 77 HB3 LYS 11 3HB LYS 11 -5.678 -4.150 9.436 78 HG2 LYS 11 2HG LYS 11 -7.165 -4.277 7.518 79 HG3 LYS 11 3HG LYS 11 -5.844 -4.808 6.460 80 HD2 LYS 11 2HD LYS 11 -5.646 -6.913 7.672 81 HD3 LYS 11 3HD LYS 11 -6.884 -6.405 8.844 82 HE2 LYS 11 2HE LYS 11 -8.602 -6.362 7.132 83 HE3 LYS 11 3HE LYS 11 -7.403 -6.571 5.849 84 HZ1 LYS 11 3HZ LYS 11 -8.513 -8.663 6.329 85 HZ2 LYS 11 1HZ LYS 11 -8.033 -8.624 7.903 86 HZ3 LYS 11 2HZ LYS 11 -6.922 -8.780 6.691 87 H VAL 12 H VAL 12 -5.827 -2.286 5.797 88 HA VAL 12 HA VAL 12 -7.908 -0.502 6.987 89 HB VAL 12 HB VAL 12 -7.820 0.951 5.019 90 HG11 VAL 12 1HG1 VAL 12 -6.636 1.588 7.080 91 HG12 VAL 12 2HG1 VAL 12 -5.158 0.812 6.487 92 HG13 VAL 12 3HG1 VAL 12 -5.827 2.219 5.635 93 HG21 VAL 12 3HG2 VAL 12 -5.898 0.981 3.508 94 HG22 VAL 12 1HG2 VAL 12 -5.231 -0.474 4.273 95 HG23 VAL 12 2HG2 VAL 12 -6.756 -0.558 3.369 96 H THR 13 H THR 13 -9.878 -0.358 5.794 97 HA THR 13 HA THR 13 -10.400 -2.298 3.629 98 HB THR 13 HB THR 13 -12.477 -3.088 4.654 99 HG1 THR 13 HG1 THR 13 -11.535 -1.938 7.061 100 HG21 THR 13 3HG2 THR 13 -10.160 -3.698 6.532 101 HG22 THR 13 1HG2 THR 13 -10.405 -4.456 4.947 102 HG23 THR 13 2HG2 THR 13 -11.607 -4.684 6.232 103 H ASP 14 H ASP 14 -12.373 -1.777 2.441 104 HA ASP 14 HA ASP 14 -12.691 0.872 1.759 105 HB2 ASP 14 2HB ASP 14 -13.424 -1.061 0.443 106 HB3 ASP 14 3HB ASP 14 -14.712 -1.393 1.599 107 H ALA 15 H ALA 15 -14.391 -0.738 4.420 108 HA ALA 15 HA ALA 15 -16.464 1.197 4.829 109 HB1 ALA 15 3HB ALA 15 -15.153 -0.780 6.749 110 HB2 ALA 15 1HB ALA 15 -16.711 0.037 6.994 111 HB3 ALA 15 2HB ALA 15 -16.525 -1.125 5.667 112 H SER 16 H SER 16 -13.073 1.298 5.655 113 HA SER 16 HA SER 16 -13.458 3.829 7.215 114 HB2 SER 16 2HB SER 16 -11.470 1.610 7.815 115 HB3 SER 16 3HB SER 16 -11.608 3.161 8.670 116 HG SER 16 HG SER 16 -12.706 1.465 9.764 117 H PHE 17 H PHE 17 -12.056 2.480 4.467 118 HA PHE 17 HA PHE 17 -9.491 3.434 4.246 119 HB2 PHE 17 2HB PHE 17 -10.654 1.957 2.654 120 HB3 PHE 17 3HB PHE 17 -11.670 3.285 2.120 121 HD1 PHE 17 HD1 PHE 17 -10.726 5.108 0.700 122 HD2 PHE 17 HD2 PHE 17 -8.360 1.705 1.903 123 HE1 PHE 17 HE1 PHE 17 -9.061 5.635 -1.063 124 HE2 PHE 17 HE2 PHE 17 -6.720 2.224 0.111 125 HZ PHE 17 HZ PHE 17 -7.059 4.196 -1.359 126 H ALA 18 H ALA 18 -12.477 5.355 3.604 127 HA ALA 18 HA ALA 18 -11.021 7.627 2.678 128 HB1 ALA 18 3HB ALA 18 -13.379 7.242 2.138 129 HB2 ALA 18 1HB ALA 18 -13.826 7.458 3.851 130 HB3 ALA 18 2HB ALA 18 -13.161 8.820 2.917 131 H THR 19 H THR 19 -11.921 6.635 5.969 132 HA THR 19 HA THR 19 -11.002 9.151 7.188 133 HB THR 19 HB THR 19 -11.575 6.484 8.544 134 HG1 THR 19 HG1 THR 19 -13.664 7.284 8.826 135 HG21 THR 19 3HG2 THR 19 -12.211 7.941 10.470 136 HG22 THR 19 1HG2 THR 19 -11.677 9.366 9.548 137 HG23 THR 19 2HG2 THR 19 -10.509 8.118 10.039 138 H ASP 20 H ASP 20 -9.613 5.955 6.507 139 HA ASP 20 HA ASP 20 -7.257 6.498 8.189 140 HB2 ASP 20 2HB ASP 20 -7.992 4.182 6.358 141 HB3 ASP 20 3HB ASP 20 -6.519 4.255 7.322 142 H VAL 21 H VAL 21 -7.923 6.347 4.709 143 HA VAL 21 HA VAL 21 -5.081 6.977 4.089 144 HB VAL 21 HB VAL 21 -7.250 5.958 2.228 145 HG11 VAL 21 1HG1 VAL 21 -5.340 7.129 1.110 146 HG12 VAL 21 2HG1 VAL 21 -4.228 5.984 1.901 147 HG13 VAL 21 3HG1 VAL 21 -5.433 5.409 0.734 148 HG21 VAL 21 3HG2 VAL 21 -5.054 4.440 3.715 149 HG22 VAL 21 1HG2 VAL 21 -6.809 4.244 3.934 150 HG23 VAL 21 2HG2 VAL 21 -6.064 3.771 2.416 151 H LEU 22 H LEU 22 -8.398 7.962 3.042 152 HA LEU 22 HA LEU 22 -7.290 10.203 1.561 153 HB2 LEU 22 2HB LEU 22 -10.211 9.644 2.094 154 HB3 LEU 22 3HB LEU 22 -9.528 10.678 0.852 155 HG LEU 22 HG LEU 22 -9.230 7.654 1.000 156 HD11 LEU 22 1HD1 LEU 22 -11.491 8.420 0.374 157 HD12 LEU 22 2HD1 LEU 22 -10.665 7.644 -0.987 158 HD13 LEU 22 3HD1 LEU 22 -10.795 9.415 -0.922 159 HD21 LEU 22 3HD2 LEU 22 -8.284 9.593 -1.148 160 HD22 LEU 22 1HD2 LEU 22 -8.255 7.827 -1.275 161 HD23 LEU 22 2HD2 LEU 22 -7.237 8.628 -0.082 162 H SER 23 H SER 23 -8.428 9.942 4.825 163 HA SER 23 HA SER 23 -8.714 12.868 5.112 164 HB2 SER 23 2HB SER 23 -9.038 10.700 7.163 165 HB3 SER 23 3HB SER 23 -9.321 12.425 7.421 166 HG SER 23 HG SER 23 -10.642 10.767 5.515 167 H SER 24 H SER 24 -6.052 10.885 4.978 168 HA SER 24 HA SER 24 -4.521 11.771 7.256 169 HB2 SER 24 2HB SER 24 -4.067 9.668 6.034 170 HB3 SER 24 3HB SER 24 -3.541 10.616 4.623 171 HG SER 24 HG SER 24 -1.791 10.008 6.001 172 H ASN 25 H ASN 25 -3.029 13.348 7.481 173 HA ASN 25 HA ASN 25 -2.908 15.511 5.452 174 HB2 ASN 25 2HB ASN 25 -3.517 15.703 8.035 175 HB3 ASN 25 3HB ASN 25 -1.768 15.735 8.237 176 HD21 ASN 25 1HD2 ASN 25 -0.736 17.397 6.455 177 HD22 ASN 25 2HD2 ASN 25 -1.549 18.965 6.486 178 H LYS 26 H LYS 26 -1.229 12.787 5.847 179 HA LYS 26 HA LYS 26 1.384 13.920 4.961 180 HB2 LYS 26 2HB LYS 26 2.580 12.250 6.296 181 HB3 LYS 26 3HB LYS 26 1.622 13.305 7.324 182 HG2 LYS 26 2HG LYS 26 -0.091 11.596 7.603 183 HG3 LYS 26 3HG LYS 26 0.709 10.523 6.448 184 HD2 LYS 26 2HD LYS 26 1.913 11.419 9.104 185 HD3 LYS 26 3HD LYS 26 1.026 9.917 8.832 186 HE2 LYS 26 2HE LYS 26 2.745 9.445 6.946 187 HE3 LYS 26 3HE LYS 26 3.721 10.729 7.682 188 HZ1 LYS 26 3HZ LYS 26 2.770 8.238 8.986 189 HZ2 LYS 26 1HZ LYS 26 3.598 9.418 9.791 190 HZ3 LYS 26 2HZ LYS 26 4.323 8.556 8.605 191 HA PRO 27 HA PRO 27 1.222 10.879 1.719 192 HB2 PRO 27 2HB PRO 27 3.900 9.853 2.598 193 HB3 PRO 27 3HB PRO 27 3.348 10.280 0.948 194 HG2 PRO 27 2HG PRO 27 4.949 11.972 2.343 195 HG3 PRO 27 3HG PRO 27 3.547 12.624 1.442 196 HD2 PRO 27 2HD PRO 27 3.750 11.974 4.394 197 HD3 PRO 27 3HD PRO 27 3.084 13.443 3.614 198 H VAL 28 H VAL 28 0.298 8.847 1.551 199 HA VAL 28 HA VAL 28 0.823 6.824 3.621 200 HB VAL 28 HB VAL 28 -1.008 7.925 4.581 201 HG11 VAL 28 1HG1 VAL 28 -3.186 8.204 3.547 202 HG12 VAL 28 2HG1 VAL 28 -1.966 9.106 2.649 203 HG13 VAL 28 3HG1 VAL 28 -2.574 7.563 2.010 204 HG21 VAL 28 3HG2 VAL 28 -2.078 5.399 3.263 205 HG22 VAL 28 1HG2 VAL 28 -0.997 5.444 4.675 206 HG23 VAL 28 2HG2 VAL 28 -2.623 6.137 4.780 207 H LEU 29 H LEU 29 1.182 4.974 2.837 208 HA LEU 29 HA LEU 29 0.768 4.383 -0.046 209 HB2 LEU 29 2HB LEU 29 3.046 4.492 1.304 210 HB3 LEU 29 3HB LEU 29 2.536 2.947 1.948 211 HG LEU 29 HG LEU 29 3.284 3.668 -0.904 212 HD11 LEU 29 1HD1 LEU 29 4.310 1.631 1.111 213 HD12 LEU 29 2HD1 LEU 29 5.086 3.165 0.670 214 HD13 LEU 29 3HD1 LEU 29 4.933 1.868 -0.529 215 HD21 LEU 29 3HD2 LEU 29 2.899 1.255 -1.479 216 HD22 LEU 29 1HD2 LEU 29 1.411 2.156 -1.230 217 HD23 LEU 29 2HD2 LEU 29 2.015 1.061 0.047 218 H VAL 30 H VAL 30 -0.689 2.789 -0.591 219 HA VAL 30 HA VAL 30 -1.551 0.838 1.503 220 HB VAL 30 HB VAL 30 -3.332 1.652 -0.799 221 HG11 VAL 30 1HG1 VAL 30 -5.056 0.725 0.741 222 HG12 VAL 30 2HG1 VAL 30 -3.804 -0.473 0.401 223 HG13 VAL 30 3HG1 VAL 30 -3.804 0.393 1.948 224 HG21 VAL 30 3HG2 VAL 30 -3.298 2.893 1.986 225 HG22 VAL 30 1HG2 VAL 30 -2.975 3.738 0.453 226 HG23 VAL 30 2HG2 VAL 30 -4.579 3.089 0.768 227 H ASP 31 H ASP 31 -1.025 -1.191 1.081 228 HA ASP 31 HA ASP 31 -0.485 -2.051 -1.735 229 HB2 ASP 31 2HB ASP 31 1.436 -2.284 -0.419 230 HB3 ASP 31 3HB ASP 31 0.563 -2.995 0.930 231 H PHE 32 H PHE 32 -2.097 -3.004 -2.680 232 HA PHE 32 HA PHE 32 -4.202 -4.506 -1.257 233 HB2 PHE 32 2HB PHE 32 -3.800 -4.132 -4.231 234 HB3 PHE 32 3HB PHE 32 -5.234 -4.719 -3.422 235 HD1 PHE 32 HD2 PHE 32 -4.460 -1.963 -1.388 236 HD2 PHE 32 HD1 PHE 32 -5.705 -2.879 -5.416 237 HE1 PHE 32 HE2 PHE 32 -5.440 0.285 -1.596 238 HE2 PHE 32 HE1 PHE 32 -6.699 -0.605 -5.598 239 HZ PHE 32 HZ PHE 32 -6.544 0.982 -3.700 240 H TRP 33 H TRP 33 -3.798 -6.563 -0.699 241 HA TRP 33 HA TRP 33 -2.065 -8.299 -2.379 242 HB2 TRP 33 2HB TRP 33 -0.407 -8.521 -0.793 243 HB3 TRP 33 3HB TRP 33 -0.789 -6.824 -0.621 244 HD1 TRP 33 HD1 TRP 33 -2.821 -6.465 1.414 245 HE1 TRP 33 HE1 TRP 33 -3.042 -7.595 3.710 246 HE3 TRP 33 HE3 TRP 33 0.419 -10.379 0.712 247 HZ2 TRP 33 HZ2 TRP 33 -1.776 -9.753 5.138 248 HZ3 TRP 33 HZ3 TRP 33 0.897 -11.949 2.559 249 HH2 TRP 33 HH2 TRP 33 -0.173 -11.638 4.786 250 H ALA 34 H ALA 34 -1.805 -10.513 -1.397 251 HA ALA 34 HA ALA 34 -3.630 -11.297 0.716 252 HB1 ALA 34 3HB ALA 34 -3.882 -12.581 -2.039 253 HB2 ALA 34 1HB ALA 34 -4.665 -13.150 -0.547 254 HB3 ALA 34 2HB ALA 34 -5.116 -11.585 -1.233 255 H THR 35 H THR 35 -3.130 -13.367 1.611 256 HA THR 35 HA THR 35 -0.358 -14.066 1.684 257 HB THR 35 HB THR 35 -1.225 -16.065 2.998 258 HG1 THR 35 HG1 THR 35 -3.427 -16.022 3.494 259 HG21 THR 35 3HG2 THR 35 -0.636 -13.964 4.137 260 HG22 THR 35 1HG2 THR 35 -2.021 -14.746 4.909 261 HG23 THR 35 2HG2 THR 35 -2.276 -13.334 3.861 262 H TRP 36 H TRP 36 -2.911 -15.155 -0.414 263 HA TRP 36 HA TRP 36 -1.576 -17.626 -1.206 264 HB2 TRP 36 2HB TRP 36 -3.476 -17.783 -2.820 265 HB3 TRP 36 3HB TRP 36 -3.882 -17.745 -1.126 266 HD1 TRP 36 HD1 TRP 36 -5.790 -16.286 -0.455 267 HE1 TRP 36 HE1 TRP 36 -7.259 -14.520 -1.531 268 HE3 TRP 36 HE3 TRP 36 -3.034 -15.405 -4.716 269 HZ2 TRP 36 HZ2 TRP 36 -7.254 -12.886 -3.898 270 HZ3 TRP 36 HZ3 TRP 36 -3.750 -13.609 -6.286 271 HH2 TRP 36 HH2 TRP 36 -5.881 -12.405 -5.927 272 H CYS 37 H CYS 37 -0.819 -14.475 -2.039 273 HA CYS 37 HA CYS 37 -0.056 -15.212 -4.839 274 HB2 CYS 37 2HB CYS 37 -1.596 -13.348 -4.625 275 HB3 CYS 37 3HB CYS 37 -0.491 -12.522 -3.524 276 HG CYS 37 HG CYS 37 -0.366 -11.351 -5.855 277 H GLY 38 H GLY 38 1.985 -15.759 -5.188 278 HA2 GLY 38 2HA GLY 38 4.106 -15.645 -3.330 279 HA3 GLY 38 3HA GLY 38 4.284 -15.881 -5.069 280 HA PRO 39 HA PRO 39 5.837 -11.715 -5.616 281 HB2 PRO 39 2HB PRO 39 3.261 -10.796 -6.881 282 HB3 PRO 39 3HB PRO 39 4.941 -10.474 -7.411 283 HG2 PRO 39 2HG PRO 39 3.517 -12.408 -8.635 284 HG3 PRO 39 3HG PRO 39 5.212 -12.745 -8.146 285 HD2 PRO 39 2HD PRO 39 2.656 -13.550 -6.748 286 HD3 PRO 39 3HD PRO 39 4.132 -14.508 -7.037 287 H CYS 40 H CYS 40 2.441 -11.593 -4.329 288 HA CYS 40 HA CYS 40 2.741 -9.132 -2.870 289 HB2 CYS 40 2HB CYS 40 1.046 -11.601 -2.302 290 HB3 CYS 40 3HB CYS 40 0.975 -10.109 -1.379 291 HG CYS 40 HG CYS 40 0.333 -8.512 -3.285 292 H LYS 41 H LYS 41 3.362 -12.529 -1.912 293 HA LYS 41 HA LYS 41 4.331 -11.957 0.730 294 HB2 LYS 41 2HB LYS 41 4.821 -14.324 -1.117 295 HB3 LYS 41 3HB LYS 41 5.233 -14.292 0.590 296 HG2 LYS 41 2HG LYS 41 2.400 -13.524 0.016 297 HG3 LYS 41 3HG LYS 41 2.808 -15.142 -0.499 298 HD2 LYS 41 2HD LYS 41 3.475 -14.145 2.297 299 HD3 LYS 41 3HD LYS 41 1.868 -14.724 1.900 300 HE2 LYS 41 2HE LYS 41 4.427 -16.361 1.600 301 HE3 LYS 41 3HE LYS 41 3.287 -16.464 2.947 302 HZ1 LYS 41 3HZ LYS 41 2.757 -17.215 0.131 303 HZ2 LYS 41 1HZ LYS 41 1.553 -17.048 1.211 304 HZ3 LYS 41 2HZ LYS 41 2.715 -18.187 1.438 305 H MET 42 H MET 42 5.994 -11.959 -2.388 306 HA MET 42 HA MET 42 8.654 -11.584 -1.282 307 HB2 MET 42 2HB MET 42 7.509 -11.176 -4.064 308 HB3 MET 42 3HB MET 42 9.200 -10.908 -3.667 309 HG2 MET 42 2HG MET 42 7.713 -13.536 -3.326 310 HG3 MET 42 3HG MET 42 8.798 -13.140 -4.649 311 HE1 MET 42 3HE MET 42 12.329 -13.152 -2.981 312 HE2 MET 42 1HE MET 42 11.395 -12.956 -4.480 313 HE3 MET 42 2HE MET 42 11.321 -11.711 -3.210 314 H VAL 43 H VAL 43 6.193 -9.206 -2.465 315 HA VAL 43 HA VAL 43 8.067 -7.004 -1.898 316 HB VAL 43 HB VAL 43 6.493 -6.994 -3.811 317 HG11 VAL 43 1HG1 VAL 43 4.203 -6.255 -3.530 318 HG12 VAL 43 2HG1 VAL 43 4.446 -7.781 -2.673 319 HG13 VAL 43 3HG1 VAL 43 4.361 -6.261 -1.765 320 HG21 VAL 43 3HG2 VAL 43 6.231 -4.585 -1.983 321 HG22 VAL 43 1HG2 VAL 43 7.637 -4.952 -3.001 322 HG23 VAL 43 2HG2 VAL 43 6.064 -4.621 -3.746 323 H ALA 44 H ALA 44 5.537 -8.594 -0.065 324 HA ALA 44 HA ALA 44 4.900 -6.719 1.858 325 HB1 ALA 44 3HB ALA 44 5.393 -9.704 2.204 326 HB2 ALA 44 1HB ALA 44 4.533 -8.665 3.359 327 HB3 ALA 44 2HB ALA 44 3.875 -8.915 1.732 328 HA PRO 45 HA PRO 45 8.743 -7.458 4.609 329 HB2 PRO 45 2HB PRO 45 11.097 -8.366 3.496 330 HB3 PRO 45 3HB PRO 45 9.873 -9.417 4.269 331 HG2 PRO 45 2HG PRO 45 10.190 -8.796 1.315 332 HG3 PRO 45 3HG PRO 45 10.012 -10.403 2.094 333 HD2 PRO 45 2HD PRO 45 7.880 -9.186 1.025 334 HD3 PRO 45 3HD PRO 45 7.726 -10.002 2.602 335 H VAL 46 H VAL 46 9.188 -6.450 1.211 336 HA VAL 46 HA VAL 46 11.143 -4.379 1.771 337 HB VAL 46 HB VAL 46 9.187 -4.427 -0.573 338 HG11 VAL 46 1HG1 VAL 46 10.483 -2.321 -0.179 339 HG12 VAL 46 2HG1 VAL 46 11.961 -3.285 -0.245 340 HG13 VAL 46 3HG1 VAL 46 10.915 -3.139 -1.690 341 HG21 VAL 46 3HG2 VAL 46 10.984 -5.561 -1.851 342 HG22 VAL 46 1HG2 VAL 46 11.921 -5.765 -0.353 343 HG23 VAL 46 2HG2 VAL 46 10.362 -6.590 -0.566 344 H LEU 47 H LEU 47 7.601 -4.364 1.294 345 HA LEU 47 HA LEU 47 7.113 -1.627 1.985 346 HB2 LEU 47 2HB LEU 47 5.510 -4.199 2.026 347 HB3 LEU 47 3HB LEU 47 4.799 -2.702 2.614 348 HG LEU 47 HG LEU 47 5.994 -2.867 -0.173 349 HD11 LEU 47 1HD1 LEU 47 3.182 -3.508 0.753 350 HD12 LEU 47 2HD1 LEU 47 4.334 -4.637 0.017 351 HD13 LEU 47 3HD1 LEU 47 3.681 -3.308 -0.948 352 HD21 LEU 47 3HD2 LEU 47 5.534 -0.598 0.733 353 HD22 LEU 47 1HD2 LEU 47 3.873 -1.088 1.130 354 HD23 LEU 47 2HD2 LEU 47 4.395 -0.998 -0.557 355 H GLU 48 H GLU 48 7.325 -4.557 4.067 356 HA GLU 48 HA GLU 48 6.497 -3.232 6.466 357 HB2 GLU 48 2HB GLU 48 6.426 -5.681 6.052 358 HB3 GLU 48 3HB GLU 48 8.198 -5.732 6.135 359 HG2 GLU 48 2HG GLU 48 8.106 -4.933 8.472 360 HG3 GLU 48 3HG GLU 48 6.350 -4.747 8.336 361 H GLU 49 H GLU 49 9.811 -3.831 5.143 362 HA GLU 49 HA GLU 49 11.225 -2.452 7.246 363 HB2 GLU 49 2HB GLU 49 11.814 -2.943 4.299 364 HB3 GLU 49 3HB GLU 49 12.859 -1.952 5.323 365 HG2 GLU 49 2HG GLU 49 13.158 -3.821 6.892 366 HG3 GLU 49 3HG GLU 49 12.129 -4.843 5.902 367 H ILE 50 H ILE 50 9.823 -1.241 4.146 368 HA ILE 50 HA ILE 50 10.586 1.485 4.601 369 HB ILE 50 HB ILE 50 8.517 0.127 2.850 370 HG12 ILE 50 2HG1 ILE 50 11.153 1.555 2.245 371 HG13 ILE 50 3HG1 ILE 50 11.010 -0.178 2.460 372 HG21 ILE 50 1HG2 ILE 50 8.167 2.210 1.623 373 HG22 ILE 50 2HG2 ILE 50 7.650 2.414 3.278 374 HG23 ILE 50 3HG2 ILE 50 9.213 3.092 2.762 375 HD11 ILE 50 3HD1 ILE 50 9.384 -0.237 0.527 376 HD12 ILE 50 1HD1 ILE 50 9.833 1.456 0.212 377 HD13 ILE 50 2HD1 ILE 50 11.062 0.196 0.122 378 H ALA 51 H ALA 51 7.613 -0.267 5.592 379 HA ALA 51 HA ALA 51 6.259 1.935 6.771 380 HB1 ALA 51 3HB ALA 51 5.371 -0.413 6.351 381 HB2 ALA 51 1HB ALA 51 6.308 -0.961 7.744 382 HB3 ALA 51 2HB ALA 51 5.019 0.232 7.969 383 H THR 52 H THR 52 8.632 -0.346 8.187 384 HA THR 52 HA THR 52 8.450 0.807 10.837 385 HB THR 52 HB THR 52 10.441 -1.200 9.713 386 HG1 THR 52 HG1 THR 52 8.507 -2.067 9.437 387 HG21 THR 52 3HG2 THR 52 9.485 -0.635 12.563 388 HG22 THR 52 1HG2 THR 52 11.132 -0.376 11.937 389 HG23 THR 52 2HG2 THR 52 10.485 -2.019 12.066 390 H GLU 53 H GLU 53 10.718 1.218 8.154 391 HA GLU 53 HA GLU 53 12.516 2.900 9.789 392 HB2 GLU 53 2HB GLU 53 12.780 1.850 6.952 393 HB3 GLU 53 3HB GLU 53 14.008 2.729 7.857 394 HG2 GLU 53 2HG GLU 53 13.836 0.905 9.654 395 HG3 GLU 53 3HG GLU 53 12.913 -0.041 8.499 396 H ARG 54 H ARG 54 9.999 3.472 7.434 397 HA ARG 54 HA ARG 54 10.775 6.364 7.382 398 HB2 ARG 54 2HB ARG 54 9.486 4.831 5.085 399 HB3 ARG 54 3HB ARG 54 9.825 6.546 5.113 400 HG2 ARG 54 2HG ARG 54 11.937 4.363 5.202 401 HG3 ARG 54 3HG ARG 54 11.476 5.339 3.797 402 HD2 ARG 54 2HD ARG 54 12.195 7.386 4.895 403 HD3 ARG 54 3HD ARG 54 12.580 6.539 6.383 404 HE ARG 54 HE ARG 54 14.101 6.518 3.861 405 HH11 ARG 54 2HH2 ARG 54 13.985 5.312 7.171 406 HH12 ARG 54 1HH2 ARG 54 15.692 4.947 7.154 407 HH21 ARG 54 1HH1 ARG 54 16.225 6.107 3.959 408 HH22 ARG 54 2HH1 ARG 54 16.921 5.360 5.366 409 H ALA 55 H ALA 55 9.000 4.970 9.273 410 HA ALA 55 HA ALA 55 6.341 5.884 9.022 411 HB1 ALA 55 3HB ALA 55 8.146 5.813 11.482 412 HB2 ALA 55 1HB ALA 55 6.371 5.902 11.491 413 HB3 ALA 55 2HB ALA 55 7.177 4.460 10.850 414 H THR 56 H THR 56 9.280 7.739 9.559 415 HA THR 56 HA THR 56 8.205 10.281 10.337 416 HB THR 56 HB THR 56 10.484 11.045 9.376 417 HG1 THR 56 HG1 THR 56 11.032 9.452 7.972 418 HG21 THR 56 3HG2 THR 56 11.756 10.021 11.202 419 HG22 THR 56 1HG2 THR 56 10.483 8.804 11.448 420 HG23 THR 56 2HG2 THR 56 10.153 10.522 11.769 421 H ASP 57 H ASP 57 8.457 8.717 7.200 422 HA ASP 57 HA ASP 57 7.890 11.291 5.765 423 HB2 ASP 57 2HB ASP 57 9.350 8.794 4.833 424 HB3 ASP 57 3HB ASP 57 9.055 10.240 3.877 425 H LEU 58 H LEU 58 6.809 8.026 6.274 426 HA LEU 58 HA LEU 58 4.488 8.308 4.422 427 HB2 LEU 58 2HB LEU 58 6.218 5.847 4.919 428 HB3 LEU 58 3HB LEU 58 4.778 5.894 3.914 429 HG LEU 58 HG LEU 58 7.363 7.373 3.278 430 HD11 LEU 58 1HD1 LEU 58 7.639 4.939 3.236 431 HD12 LEU 58 2HD1 LEU 58 7.669 5.597 1.594 432 HD13 LEU 58 3HD1 LEU 58 6.211 4.771 2.190 433 HD21 LEU 58 3HD2 LEU 58 5.505 8.453 2.179 434 HD22 LEU 58 1HD2 LEU 58 4.802 6.888 1.698 435 HD23 LEU 58 2HD2 LEU 58 6.318 7.460 0.972 436 H THR 59 H THR 59 2.632 7.166 5.115 437 HA THR 59 HA THR 59 2.904 5.385 7.518 438 HB THR 59 HB THR 59 0.390 6.746 6.487 439 HG1 THR 59 HG1 THR 59 0.390 7.487 8.659 440 HG21 THR 59 3HG2 THR 59 0.723 4.646 8.683 441 HG22 THR 59 1HG2 THR 59 -0.200 4.452 7.172 442 HG23 THR 59 2HG2 THR 59 -0.747 5.602 8.392 443 H VAL 60 H VAL 60 2.481 3.181 7.077 444 HA VAL 60 HA VAL 60 1.859 2.548 4.209 445 HB VAL 60 HB VAL 60 3.813 1.116 5.987 446 HG11 VAL 60 1HG1 VAL 60 4.393 -0.128 3.891 447 HG12 VAL 60 2HG1 VAL 60 2.746 -0.457 4.427 448 HG13 VAL 60 3HG1 VAL 60 3.028 0.659 3.071 449 HG21 VAL 60 3HG2 VAL 60 5.514 1.901 4.333 450 HG22 VAL 60 1HG2 VAL 60 4.272 2.899 3.554 451 HG23 VAL 60 2HG2 VAL 60 4.778 3.237 5.221 452 H ALA 61 H ALA 61 0.183 1.390 3.880 453 HA ALA 61 HA ALA 61 -1.081 -0.160 6.069 454 HB1 ALA 61 3HB ALA 61 -2.358 1.569 3.914 455 HB2 ALA 61 1HB ALA 61 -3.218 0.657 5.170 456 HB3 ALA 61 2HB ALA 61 -2.165 2.011 5.624 457 H LYS 62 H LYS 62 -2.338 -1.909 5.542 458 HA LYS 62 HA LYS 62 -1.803 -3.311 2.944 459 HB2 LYS 62 2HB LYS 62 -2.367 -4.407 5.733 460 HB3 LYS 62 3HB LYS 62 -2.071 -5.379 4.305 461 HG2 LYS 62 2HG LYS 62 -0.044 -3.447 5.544 462 HG3 LYS 62 3HG LYS 62 -0.130 -5.156 5.909 463 HD2 LYS 62 2HD LYS 62 0.396 -4.070 3.107 464 HD3 LYS 62 3HD LYS 62 1.652 -4.532 4.267 465 HE2 LYS 62 2HE LYS 62 0.655 -6.826 4.408 466 HE3 LYS 62 3HE LYS 62 -0.521 -6.360 3.177 467 HZ1 LYS 62 3HZ LYS 62 1.359 -7.540 2.214 468 HZ2 LYS 62 1HZ LYS 62 2.409 -6.395 2.746 469 HZ3 LYS 62 2HZ LYS 62 1.282 -6.026 1.608 470 H LEU 63 H LEU 63 -3.488 -3.883 1.737 471 HA LEU 63 HA LEU 63 -6.233 -4.011 2.942 472 HB2 LEU 63 2HB LEU 63 -6.000 -2.104 1.418 473 HB3 LEU 63 3HB LEU 63 -5.378 -3.151 0.162 474 HG LEU 63 HG LEU 63 -7.670 -2.358 -0.138 475 HD11 LEU 63 1HD1 LEU 63 -6.865 -4.436 -1.264 476 HD12 LEU 63 2HD1 LEU 63 -8.622 -4.323 -1.065 477 HD13 LEU 63 3HD1 LEU 63 -7.696 -5.380 -0.001 478 HD21 LEU 63 3HD2 LEU 63 -8.440 -4.239 2.122 479 HD22 LEU 63 1HD2 LEU 63 -9.556 -3.365 1.065 480 HD23 LEU 63 2HD2 LEU 63 -8.493 -2.460 2.156 481 H ASP 64 H ASP 64 -6.606 -5.997 3.305 482 HA ASP 64 HA ASP 64 -5.338 -8.196 1.869 483 HB2 ASP 64 2HB ASP 64 -7.428 -8.045 4.071 484 HB3 ASP 64 3HB ASP 64 -6.736 -9.538 3.457 485 H VAL 65 H VAL 65 -6.171 -8.385 -0.279 486 HA VAL 65 HA VAL 65 -8.971 -7.946 -0.849 487 HB VAL 65 HB VAL 65 -8.623 -8.750 -3.056 488 HG11 VAL 65 1HG1 VAL 65 -6.899 -7.217 -3.817 489 HG12 VAL 65 2HG1 VAL 65 -7.830 -6.493 -2.497 490 HG13 VAL 65 3HG1 VAL 65 -6.199 -7.127 -2.188 491 HG21 VAL 65 3HG2 VAL 65 -6.582 -9.677 -3.909 492 HG22 VAL 65 1HG2 VAL 65 -5.816 -9.613 -2.311 493 HG23 VAL 65 2HG2 VAL 65 -7.170 -10.723 -2.613 494 H ASP 66 H ASP 66 -7.396 -10.630 0.514 495 HA ASP 66 HA ASP 66 -9.340 -12.673 -0.148 496 HB2 ASP 66 2HB ASP 66 -6.961 -13.044 0.590 497 HB3 ASP 66 3HB ASP 66 -7.418 -12.493 2.204 498 H THR 67 H THR 67 -9.346 -10.006 2.169 499 HA THR 67 HA THR 67 -11.878 -11.103 3.348 500 HB THR 67 HB THR 67 -11.481 -9.911 5.392 501 HG1 THR 67 HG1 THR 67 -10.162 -8.229 4.628 502 HG21 THR 67 3HG2 THR 67 -9.008 -11.550 4.712 503 HG22 THR 67 1HG2 THR 67 -10.586 -12.229 5.174 504 HG23 THR 67 2HG2 THR 67 -9.682 -11.228 6.324 505 H ASN 68 H ASN 68 -10.349 -8.152 1.993 506 HA ASN 68 HA ASN 68 -13.096 -7.130 1.546 507 HB2 ASN 68 2HB ASN 68 -12.149 -6.122 3.645 508 HB3 ASN 68 3HB ASN 68 -10.838 -5.435 2.680 509 HD21 ASN 68 1HD2 ASN 68 -14.435 -5.553 2.940 510 HD22 ASN 68 2HD2 ASN 68 -14.653 -3.927 2.311 511 HA PRO 69 HA PRO 69 -10.561 -6.818 -2.335 512 HB2 PRO 69 2HB PRO 69 -12.382 -7.880 -4.069 513 HB3 PRO 69 3HB PRO 69 -11.298 -8.889 -3.072 514 HG2 PRO 69 2HG PRO 69 -14.177 -8.122 -2.499 515 HG3 PRO 69 3HG PRO 69 -13.434 -9.752 -2.430 516 HD2 PRO 69 2HD PRO 69 -13.776 -8.203 -0.212 517 HD3 PRO 69 3HD PRO 69 -12.356 -9.273 -0.391 518 H GLU 70 H GLU 70 -13.436 -5.499 -1.071 519 HA GLU 70 HA GLU 70 -14.616 -4.089 -3.163 520 HB2 GLU 70 2HB GLU 70 -14.302 -3.153 -0.282 521 HB3 GLU 70 3HB GLU 70 -15.541 -2.632 -1.423 522 HG2 GLU 70 2HG GLU 70 -15.219 -5.394 -0.173 523 HG3 GLU 70 3HG GLU 70 -16.472 -4.210 0.177 524 H THR 71 H THR 71 -11.906 -2.898 -1.076 525 HA THR 71 HA THR 71 -11.622 -0.360 -2.328 526 HB THR 71 HB THR 71 -9.492 -2.049 -1.062 527 HG1 THR 71 HG1 THR 71 -10.062 -0.849 0.803 528 HG21 THR 71 3HG2 THR 71 -8.570 -0.046 -2.225 529 HG22 THR 71 1HG2 THR 71 -8.431 0.104 -0.473 530 HG23 THR 71 2HG2 THR 71 -9.714 0.984 -1.337 531 H ALA 72 H ALA 72 -10.052 -3.502 -3.102 532 HA ALA 72 HA ALA 72 -8.383 -2.473 -5.217 533 HB1 ALA 72 3HB ALA 72 -7.922 -4.537 -3.949 534 HB2 ALA 72 1HB ALA 72 -9.357 -5.306 -4.677 535 HB3 ALA 72 2HB ALA 72 -7.980 -4.818 -5.693 536 H ARG 73 H ARG 73 -11.679 -3.828 -5.213 537 HA ARG 73 HA ARG 73 -11.925 -3.652 -8.099 538 HB2 ARG 73 2HB ARG 73 -13.180 -5.236 -6.563 539 HB3 ARG 73 3HB ARG 73 -14.162 -3.855 -6.045 540 HG2 ARG 73 2HG ARG 73 -14.896 -3.529 -8.425 541 HG3 ARG 73 3HG ARG 73 -13.866 -4.881 -8.912 542 HD2 ARG 73 2HD ARG 73 -16.112 -5.679 -8.789 543 HD3 ARG 73 3HD ARG 73 -15.224 -6.402 -7.457 544 HE ARG 73 HE ARG 73 -17.280 -4.232 -7.315 545 HH11 ARG 73 1HH2 ARG 73 -15.348 -6.525 -5.483 546 HH12 ARG 73 2HH2 ARG 73 -16.211 -6.173 -3.996 547 HH21 ARG 73 1HH1 ARG 73 -18.295 -3.845 -5.381 548 HH22 ARG 73 2HH1 ARG 73 -17.750 -4.655 -3.930 549 H ASN 74 H ASN 74 -12.805 -1.430 -5.450 550 HA ASN 74 HA ASN 74 -14.258 0.489 -6.920 551 HB2 ASN 74 2HB ASN 74 -14.086 0.495 -4.482 552 HB3 ASN 74 3HB ASN 74 -12.353 0.809 -4.557 553 HD21 ASN 74 1HD2 ASN 74 -11.619 2.967 -4.846 554 HD22 ASN 74 2HD2 ASN 74 -12.752 4.298 -4.962 555 H PHE 75 H PHE 75 -10.720 0.115 -6.661 556 HA PHE 75 HA PHE 75 -10.297 2.312 -8.627 557 HB2 PHE 75 2HB PHE 75 -8.335 0.755 -6.920 558 HB3 PHE 75 3HB PHE 75 -7.919 2.070 -8.013 559 HD1 PHE 75 HD2 PHE 75 -9.184 4.363 -7.638 560 HD2 PHE 75 HD1 PHE 75 -8.749 1.291 -4.646 561 HE1 PHE 75 HE2 PHE 75 -9.601 6.037 -5.851 562 HE2 PHE 75 HE1 PHE 75 -9.184 2.960 -2.865 563 HZ PHE 75 HZ PHE 75 -9.606 5.339 -3.465 564 H GLN 76 H GLN 76 -11.191 -0.716 -9.007 565 HA GLN 76 HA GLN 76 -11.083 -2.368 -10.440 566 HB2 GLN 76 2HB GLN 76 -11.601 -0.428 -11.896 567 HB3 GLN 76 3HB GLN 76 -9.903 -0.360 -12.383 568 HG2 GLN 76 2HG GLN 76 -10.076 -2.563 -13.432 569 HG3 GLN 76 3HG GLN 76 -11.699 -2.797 -12.764 570 HE21 GLN 76 1HE2 GLN 76 -9.802 -0.747 -15.061 571 HE22 GLN 76 2HE2 GLN 76 -11.202 -0.347 -16.047 572 H VAL 77 H VAL 77 -8.051 -1.144 -9.563 573 HA VAL 77 HA VAL 77 -6.378 -3.021 -10.986 574 HB VAL 77 HB VAL 77 -4.572 -2.081 -9.541 575 HG11 VAL 77 1HG1 VAL 77 -6.242 -0.061 -11.073 576 HG12 VAL 77 2HG1 VAL 77 -4.503 0.027 -10.713 577 HG13 VAL 77 3HG1 VAL 77 -5.114 -1.235 -11.785 578 HG21 VAL 77 3HG2 VAL 77 -5.031 -0.021 -8.257 579 HG22 VAL 77 1HG2 VAL 77 -6.751 -0.136 -8.611 580 HG23 VAL 77 2HG2 VAL 77 -5.972 -1.365 -7.592 581 H VAL 78 H VAL 78 -8.024 -4.702 -10.074 582 HA VAL 78 HA VAL 78 -7.434 -5.882 -7.509 583 HB VAL 78 HB VAL 78 -8.833 -7.764 -8.297 584 HG11 VAL 78 1HG1 VAL 78 -10.932 -6.528 -8.504 585 HG12 VAL 78 2HG1 VAL 78 -9.887 -5.805 -7.274 586 HG13 VAL 78 3HG1 VAL 78 -10.046 -5.033 -8.870 587 HG21 VAL 78 3HG2 VAL 78 -9.105 -6.233 -10.921 588 HG22 VAL 78 1HG2 VAL 78 -8.229 -7.765 -10.709 589 HG23 VAL 78 2HG2 VAL 78 -9.976 -7.700 -10.445 590 H SER 79 H SER 79 -5.650 -6.042 -10.367 591 HA SER 79 HA SER 79 -4.706 -8.766 -10.234 592 HB2 SER 79 2HB SER 79 -3.603 -6.389 -11.772 593 HB3 SER 79 3HB SER 79 -3.213 -8.100 -12.046 594 HG SER 79 HG SER 79 -4.850 -7.357 -13.474 595 H ILE 80 H ILE 80 -4.207 -8.455 -7.839 596 HA ILE 80 HA ILE 80 -2.165 -6.903 -6.851 597 HB ILE 80 HB ILE 80 -2.133 -8.430 -4.907 598 HG12 ILE 80 2HG1 ILE 80 -3.956 -10.317 -6.416 599 HG13 ILE 80 3HG1 ILE 80 -2.236 -10.589 -6.123 600 HG21 ILE 80 1HG2 ILE 80 -3.974 -6.732 -5.308 601 HG22 ILE 80 2HG2 ILE 80 -4.995 -8.081 -5.845 602 HG23 ILE 80 3HG2 ILE 80 -4.366 -8.043 -4.191 603 HD11 ILE 80 3HD1 ILE 80 -3.265 -11.757 -4.381 604 HD12 ILE 80 1HD1 ILE 80 -2.730 -10.265 -3.627 605 HD13 ILE 80 2HD1 ILE 80 -4.435 -10.470 -4.067 606 HA PRO 81 HA PRO 81 -0.493 -7.043 -4.958 607 HB2 PRO 81 2HB PRO 81 2.030 -5.979 -4.916 608 HB3 PRO 81 3HB PRO 81 1.628 -7.552 -4.191 609 HG2 PRO 81 2HG PRO 81 2.820 -6.995 -6.912 610 HG3 PRO 81 3HG PRO 81 3.345 -8.210 -5.706 611 HD2 PRO 81 2HD PRO 81 1.767 -8.884 -7.821 612 HD3 PRO 81 3HD PRO 81 1.512 -9.624 -6.212 613 H THR 82 H THR 82 -1.112 -4.966 -4.946 614 HA THR 82 HA THR 82 -0.197 -3.133 -7.129 615 HB THR 82 HB THR 82 -3.012 -3.138 -6.001 616 HG1 THR 82 HG1 THR 82 -3.641 -3.961 -7.923 617 HG21 THR 82 3HG2 THR 82 -3.414 -1.505 -7.755 618 HG22 THR 82 1HG2 THR 82 -1.742 -1.630 -8.336 619 HG23 THR 82 2HG2 THR 82 -2.112 -0.915 -6.748 620 H LEU 83 H LEU 83 0.821 -1.460 -6.309 621 HA LEU 83 HA LEU 83 0.381 -0.654 -3.457 622 HB2 LEU 83 2HB LEU 83 2.806 -0.416 -5.271 623 HB3 LEU 83 3HB LEU 83 2.639 0.389 -3.724 624 HG LEU 83 HG LEU 83 2.504 -1.830 -2.585 625 HD11 LEU 83 1HD1 LEU 83 3.462 -3.808 -3.827 626 HD12 LEU 83 2HD1 LEU 83 3.215 -2.924 -5.352 627 HD13 LEU 83 3HD1 LEU 83 1.835 -3.395 -4.325 628 HD21 LEU 83 3HD2 LEU 83 4.596 -0.531 -2.816 629 HD22 LEU 83 1HD2 LEU 83 4.953 -1.369 -4.341 630 HD23 LEU 83 2HD2 LEU 83 4.918 -2.270 -2.811 631 H ILE 84 H ILE 84 -0.629 1.264 -3.205 632 HA ILE 84 HA ILE 84 -0.311 3.354 -5.309 633 HB ILE 84 HB ILE 84 -2.473 2.394 -5.658 634 HG12 ILE 84 2HG1 ILE 84 -2.729 5.115 -4.309 635 HG13 ILE 84 3HG1 ILE 84 -2.075 4.837 -5.924 636 HG21 ILE 84 1HG2 ILE 84 -2.928 1.421 -3.437 637 HG22 ILE 84 2HG2 ILE 84 -3.155 3.046 -2.764 638 HG23 ILE 84 3HG2 ILE 84 -4.272 2.406 -3.985 639 HD11 ILE 84 3HD1 ILE 84 -4.929 4.288 -5.036 640 HD12 ILE 84 1HD1 ILE 84 -4.360 5.572 -6.110 641 HD13 ILE 84 2HD1 ILE 84 -4.264 3.876 -6.632 642 H LEU 85 H LEU 85 0.297 5.271 -4.641 643 HA LEU 85 HA LEU 85 0.450 5.794 -1.708 644 HB2 LEU 85 2HB LEU 85 2.638 5.551 -2.938 645 HB3 LEU 85 3HB LEU 85 2.145 6.899 -3.966 646 HG LEU 85 HG LEU 85 2.019 8.335 -1.876 647 HD11 LEU 85 1HD1 LEU 85 1.921 6.531 -0.195 648 HD12 LEU 85 2HD1 LEU 85 3.244 7.655 0.093 649 HD13 LEU 85 3HD1 LEU 85 3.579 6.058 -0.616 650 HD21 LEU 85 3HD2 LEU 85 4.459 8.654 -1.744 651 HD22 LEU 85 1HD2 LEU 85 3.941 8.435 -3.428 652 HD23 LEU 85 2HD2 LEU 85 4.715 7.103 -2.559 653 H PHE 86 H PHE 86 -0.720 7.362 -0.923 654 HA PHE 86 HA PHE 86 -1.787 9.521 -2.685 655 HB2 PHE 86 2HB PHE 86 -2.826 8.517 -0.017 656 HB3 PHE 86 3HB PHE 86 -3.475 9.873 -0.912 657 HD1 PHE 86 HD1 PHE 86 -3.054 6.164 -0.946 658 HD2 PHE 86 HD2 PHE 86 -5.072 9.559 -2.675 659 HE1 PHE 86 HE1 PHE 86 -4.654 4.646 -2.083 660 HE2 PHE 86 HE2 PHE 86 -6.644 8.036 -3.838 661 HZ PHE 86 HZ PHE 86 -6.440 5.575 -3.542 662 H LYS 87 H LYS 87 -1.644 11.648 -1.933 663 HA LYS 87 HA LYS 87 -0.027 12.239 0.491 664 HB2 LYS 87 2HB LYS 87 1.377 12.281 -1.571 665 HB3 LYS 87 3HB LYS 87 0.364 13.590 -2.201 666 HG2 LYS 87 2HG LYS 87 1.078 15.078 -0.428 667 HG3 LYS 87 3HG LYS 87 1.859 13.749 0.447 668 HD2 LYS 87 2HD LYS 87 3.400 13.409 -1.515 669 HD3 LYS 87 3HD LYS 87 2.700 14.831 -2.290 670 HE2 LYS 87 2HE LYS 87 4.124 14.809 0.416 671 HE3 LYS 87 3HE LYS 87 4.900 15.193 -1.119 672 HZ1 LYS 87 3HZ LYS 87 2.662 16.746 0.079 673 HZ2 LYS 87 1HZ LYS 87 3.367 17.078 -1.361 674 HZ3 LYS 87 2HZ LYS 87 4.222 17.214 0.018 675 H ASP 88 H ASP 88 -1.145 13.585 1.772 676 HA ASP 88 HA ASP 88 -2.957 14.658 2.588 677 HB2 ASP 88 2HB ASP 88 -1.683 16.511 1.515 678 HB3 ASP 88 3HB ASP 88 -2.740 16.392 0.111 679 H GLY 89 H GLY 89 -3.605 12.294 1.276 680 HA2 GLY 89 2HA GLY 89 -5.399 11.048 0.654 681 HA3 GLY 89 3HA GLY 89 -6.441 12.449 0.863 682 H GLN 90 H GLN 90 -4.000 13.134 -1.468 683 HA GLN 90 HA GLN 90 -5.813 12.398 -3.734 684 HB2 GLN 90 2HB GLN 90 -3.621 14.495 -3.548 685 HB3 GLN 90 3HB GLN 90 -4.541 14.103 -5.005 686 HG2 GLN 90 2HG GLN 90 -6.647 14.774 -3.886 687 HG3 GLN 90 3HG GLN 90 -5.753 15.167 -2.412 688 HE21 GLN 90 1HE2 GLN 90 -4.161 16.981 -2.510 689 HE22 GLN 90 2HE2 GLN 90 -4.412 18.235 -3.718 690 HA PRO 91 HA PRO 91 -2.765 9.303 -4.653 691 HB2 PRO 91 2HB PRO 91 -3.298 8.666 -7.263 692 HB3 PRO 91 3HB PRO 91 -4.356 8.218 -5.890 693 HG2 PRO 91 2HG PRO 91 -4.636 10.596 -7.756 694 HG3 PRO 91 3HG PRO 91 -5.899 9.423 -7.260 695 HD2 PRO 91 2HD PRO 91 -5.638 11.845 -6.045 696 HD3 PRO 91 3HD PRO 91 -6.075 10.384 -5.107 697 H VAL 92 H VAL 92 -0.681 9.248 -5.240 698 HA VAL 92 HA VAL 92 0.420 11.250 -7.183 699 HB VAL 92 HB VAL 92 2.358 11.550 -5.655 700 HG11 VAL 92 1HG1 VAL 92 1.329 13.209 -4.276 701 HG12 VAL 92 2HG1 VAL 92 0.509 13.200 -5.842 702 HG13 VAL 92 3HG1 VAL 92 -0.273 12.447 -4.436 703 HG21 VAL 92 3HG2 VAL 92 0.599 10.335 -3.493 704 HG22 VAL 92 1HG2 VAL 92 1.996 9.518 -4.228 705 HG23 VAL 92 2HG2 VAL 92 2.227 11.016 -3.317 706 H LYS 93 H LYS 93 0.564 7.932 -6.099 707 HA LYS 93 HA LYS 93 2.145 7.357 -8.488 708 HB2 LYS 93 2HB LYS 93 3.837 7.753 -6.516 709 HB3 LYS 93 3HB LYS 93 3.191 6.276 -5.833 710 HG2 LYS 93 2HG LYS 93 5.188 5.708 -6.971 711 HG3 LYS 93 3HG LYS 93 3.864 5.032 -7.893 712 HD2 LYS 93 2HD LYS 93 5.531 5.926 -9.375 713 HD3 LYS 93 3HD LYS 93 4.079 6.890 -9.565 714 HE2 LYS 93 2HE LYS 93 6.099 7.827 -7.536 715 HE3 LYS 93 3HE LYS 93 6.612 7.879 -9.220 716 HZ1 LYS 93 3HZ LYS 93 4.768 9.309 -9.748 717 HZ2 LYS 93 1HZ LYS 93 5.571 9.956 -8.475 718 HZ3 LYS 93 2HZ LYS 93 4.133 9.216 -8.242 719 H ARG 94 H ARG 94 1.761 5.276 -9.286 720 HA ARG 94 HA ARG 94 0.574 3.264 -7.489 721 HB2 ARG 94 2HB ARG 94 -1.337 4.389 -8.612 722 HB3 ARG 94 3HB ARG 94 -0.696 3.885 -10.182 723 HG2 ARG 94 2HG ARG 94 -1.004 1.517 -9.589 724 HG3 ARG 94 3HG ARG 94 -1.390 1.952 -7.919 725 HD2 ARG 94 2HD ARG 94 -3.432 1.417 -9.051 726 HD3 ARG 94 3HD ARG 94 -3.415 3.150 -8.687 727 HE ARG 94 HE ARG 94 -2.399 2.662 -11.342 728 HH11 ARG 94 1HH1 ARG 94 -5.460 2.747 -9.637 729 HH12 ARG 94 2HH1 ARG 94 -6.361 3.089 -11.087 730 HH21 ARG 94 1HH2 ARG 94 -3.609 3.144 -13.146 731 HH22 ARG 94 2HH2 ARG 94 -5.330 3.332 -13.010 732 H ILE 95 H ILE 95 1.318 1.306 -7.752 733 HA ILE 95 HA ILE 95 2.980 0.555 -10.108 734 HB ILE 95 HB ILE 95 3.708 -0.232 -7.268 735 HG12 ILE 95 2HG1 ILE 95 5.724 1.438 -7.719 736 HG13 ILE 95 3HG1 ILE 95 4.548 2.302 -8.695 737 HG21 ILE 95 1HG2 ILE 95 5.886 -0.738 -8.285 738 HG22 ILE 95 2HG2 ILE 95 4.602 -1.643 -9.062 739 HG23 ILE 95 3HG2 ILE 95 5.279 -0.204 -9.870 740 HD11 ILE 95 3HD1 ILE 95 3.106 2.542 -6.642 741 HD12 ILE 95 1HD1 ILE 95 4.283 1.573 -5.730 742 HD13 ILE 95 2HD1 ILE 95 4.739 3.159 -6.365 743 H VAL 96 H VAL 96 2.789 -1.631 -10.708 744 HA VAL 96 HA VAL 96 1.297 -3.471 -8.949 745 HB VAL 96 HB VAL 96 -0.477 -2.882 -10.322 746 HG11 VAL 96 1HG1 VAL 96 -0.443 -2.943 -12.809 747 HG12 VAL 96 2HG1 VAL 96 0.651 -1.713 -12.174 748 HG13 VAL 96 3HG1 VAL 96 1.306 -3.254 -12.775 749 HG21 VAL 96 3HG2 VAL 96 -1.085 -4.880 -11.500 750 HG22 VAL 96 1HG2 VAL 96 0.602 -5.414 -11.601 751 HG23 VAL 96 2HG2 VAL 96 -0.219 -5.311 -10.025 752 H GLY 97 H GLY 97 1.974 -5.525 -8.950 753 HA2 GLY 97 2HA GLY 97 3.447 -7.331 -9.400 754 HA3 GLY 97 3HA GLY 97 4.336 -6.362 -10.569 755 H ALA 98 H ALA 98 5.544 -7.914 -8.531 756 HA ALA 98 HA ALA 98 6.167 -6.298 -6.207 757 HB1 ALA 98 3HB ALA 98 7.340 -8.923 -7.213 758 HB2 ALA 98 1HB ALA 98 7.608 -8.215 -5.606 759 HB3 ALA 98 2HB ALA 98 5.979 -8.727 -6.084 760 H LYS 99 H LYS 99 7.990 -5.224 -5.658 761 HA LYS 99 HA LYS 99 10.334 -5.113 -7.488 762 HB2 LYS 99 2HB LYS 99 8.921 -2.673 -6.305 763 HB3 LYS 99 3HB LYS 99 10.493 -2.659 -7.110 764 HG2 LYS 99 2HG LYS 99 9.351 -3.675 -9.153 765 HG3 LYS 99 3HG LYS 99 7.803 -3.362 -8.351 766 HD2 LYS 99 2HD LYS 99 8.346 -0.924 -8.296 767 HD3 LYS 99 3HD LYS 99 9.885 -1.273 -9.115 768 HE2 LYS 99 2HE LYS 99 8.552 -2.395 -10.962 769 HE3 LYS 99 3HE LYS 99 7.078 -1.806 -10.195 770 HZ1 LYS 99 3HZ LYS 99 9.268 -0.071 -11.223 771 HZ2 LYS 99 1HZ LYS 99 7.878 0.490 -10.561 772 HZ3 LYS 99 2HZ LYS 99 7.845 -0.322 -11.971 773 H GLY 100 H GLY 100 12.342 -4.641 -6.445 774 HA2 GLY 100 2HA GLY 100 12.517 -5.480 -3.634 775 HA3 GLY 100 3HA GLY 100 13.849 -5.132 -4.739 776 H LYS 101 H LYS 101 13.951 -4.139 -2.204 777 HA LYS 101 HA LYS 101 12.727 -1.682 -1.645 778 HB2 LYS 101 2HB LYS 101 14.303 -3.258 -0.211 779 HB3 LYS 101 3HB LYS 101 15.577 -2.167 -0.745 780 HG2 LYS 101 2HG LYS 101 14.282 -0.219 0.166 781 HG3 LYS 101 3HG LYS 101 12.992 -1.327 0.677 782 HD2 LYS 101 2HD LYS 101 14.648 -2.533 2.111 783 HD3 LYS 101 3HD LYS 101 15.875 -1.341 1.641 784 HE2 LYS 101 2HE LYS 101 14.368 0.475 2.595 785 HE3 LYS 101 3HE LYS 101 13.277 -0.804 3.155 786 HZ1 LYS 101 3HZ LYS 101 15.216 -1.762 4.372 787 HZ2 LYS 101 1HZ LYS 101 14.863 -0.271 4.942 788 HZ3 LYS 101 2HZ LYS 101 16.121 -0.447 3.924 789 H ALA 102 H ALA 102 15.520 -2.138 -3.663 790 HA ALA 102 HA ALA 102 16.333 0.651 -3.715 791 HB1 ALA 102 3HB ALA 102 17.838 -1.160 -4.420 792 HB2 ALA 102 1HB ALA 102 16.762 -1.564 -5.776 793 HB3 ALA 102 2HB ALA 102 17.599 0.003 -5.737 794 H ALA 103 H ALA 103 14.347 -1.284 -6.025 795 HA ALA 103 HA ALA 103 13.572 1.055 -7.538 796 HB1 ALA 103 3HB ALA 103 12.142 -0.567 -8.745 797 HB2 ALA 103 1HB ALA 103 13.809 -1.140 -8.573 798 HB3 ALA 103 2HB ALA 103 12.538 -1.810 -7.531 799 H LEU 104 H LEU 104 11.902 -0.787 -4.839 800 HA LEU 104 HA LEU 104 9.543 0.807 -5.130 801 HB2 LEU 104 2HB LEU 104 9.603 -1.372 -3.990 802 HB3 LEU 104 3HB LEU 104 10.566 -0.679 -2.684 803 HG LEU 104 HG LEU 104 8.736 0.721 -1.968 804 HD11 LEU 104 1HD1 LEU 104 7.712 1.397 -4.101 805 HD12 LEU 104 2HD1 LEU 104 6.508 0.694 -3.045 806 HD13 LEU 104 3HD1 LEU 104 7.170 -0.271 -4.388 807 HD21 LEU 104 3HD2 LEU 104 8.638 -1.650 -1.248 808 HD22 LEU 104 1HD2 LEU 104 7.629 -2.035 -2.654 809 HD23 LEU 104 2HD2 LEU 104 7.030 -0.938 -1.390 810 H LEU 105 H LEU 105 12.575 1.394 -3.194 811 HA LEU 105 HA LEU 105 11.483 3.983 -2.420 812 HB2 LEU 105 2HB LEU 105 13.520 2.478 -1.338 813 HB3 LEU 105 3HB LEU 105 14.379 3.774 -2.134 814 HG LEU 105 HG LEU 105 14.000 4.354 0.152 815 HD11 LEU 105 1HD1 LEU 105 11.919 5.995 -1.315 816 HD12 LEU 105 2HD1 LEU 105 13.676 6.279 -1.319 817 HD13 LEU 105 3HD1 LEU 105 12.765 6.412 0.189 818 HD21 LEU 105 3HD2 LEU 105 12.146 2.811 0.581 819 HD22 LEU 105 1HD2 LEU 105 11.018 3.912 -0.234 820 HD23 LEU 105 2HD2 LEU 105 11.843 4.420 1.253 821 H ARG 106 H ARG 106 13.028 3.008 -5.465 822 HA ARG 106 HA ARG 106 13.407 5.816 -6.252 823 HB2 ARG 106 2HB ARG 106 12.630 3.419 -7.956 824 HB3 ARG 106 3HB ARG 106 12.945 5.036 -8.570 825 HG2 ARG 106 2HG ARG 106 15.250 4.957 -7.720 826 HG3 ARG 106 3HG ARG 106 14.976 3.348 -7.060 827 HD2 ARG 106 2HD ARG 106 14.463 2.501 -9.342 828 HD3 ARG 106 3HD ARG 106 14.806 4.116 -9.996 829 HE ARG 106 HE ARG 106 17.057 3.318 -8.473 830 HH11 ARG 106 1HH1 ARG 106 15.516 2.318 -11.459 831 HH12 ARG 106 2HH1 ARG 106 17.001 1.695 -12.123 832 HH21 ARG 106 1HH2 ARG 106 18.916 2.507 -9.384 833 HH22 ARG 106 2HH2 ARG 106 18.873 1.805 -10.974 834 H GLU 107 H GLU 107 10.681 3.608 -6.685 835 HA GLU 107 HA GLU 107 8.790 5.382 -7.763 836 HB2 GLU 107 2HB GLU 107 8.365 2.942 -6.039 837 HB3 GLU 107 3HB GLU 107 7.095 3.739 -6.959 838 HG2 GLU 107 2HG GLU 107 9.623 2.759 -8.350 839 HG3 GLU 107 3HG GLU 107 8.323 1.674 -7.919 840 H LEU 108 H LEU 108 9.463 4.668 -4.342 841 HA LEU 108 HA LEU 108 7.534 6.684 -3.395 842 HB2 LEU 108 2HB LEU 108 9.475 4.930 -1.872 843 HB3 LEU 108 3HB LEU 108 8.213 5.927 -1.158 844 HG LEU 108 HG LEU 108 7.695 3.610 -3.060 845 HD11 LEU 108 1HD1 LEU 108 8.717 2.950 -0.901 846 HD12 LEU 108 2HD1 LEU 108 7.072 2.341 -1.084 847 HD13 LEU 108 3HD1 LEU 108 7.386 3.750 -0.040 848 HD21 LEU 108 3HD2 LEU 108 5.785 5.214 -1.332 849 HD22 LEU 108 1HD2 LEU 108 5.377 3.734 -2.237 850 HD23 LEU 108 2HD2 LEU 108 5.853 5.185 -3.117 851 H SER 109 H SER 109 11.120 6.571 -3.851 852 HA SER 109 HA SER 109 11.541 8.850 -2.207 853 HB2 SER 109 2HB SER 109 13.624 9.392 -3.305 854 HB3 SER 109 3HB SER 109 13.548 7.732 -2.769 855 HG SER 109 HG SER 109 13.265 7.058 -4.782 856 H ASP 110 H ASP 110 10.280 8.547 -5.472 857 HA ASP 110 HA ASP 110 10.273 11.235 -6.326 858 HB2 ASP 110 2HB ASP 110 9.225 9.239 -7.454 859 HB3 ASP 110 3HB ASP 110 7.873 9.371 -6.324 860 H VAL 111 H VAL 111 8.705 9.982 -3.446 861 HA VAL 111 HA VAL 111 7.656 12.684 -2.707 862 HB VAL 111 HB VAL 111 6.746 9.866 -2.019 863 HG11 VAL 111 1HG1 VAL 111 4.998 10.926 -0.586 864 HG12 VAL 111 2HG1 VAL 111 6.618 11.068 0.092 865 HG13 VAL 111 3HG1 VAL 111 5.867 12.473 -0.707 866 HG21 VAL 111 3HG2 VAL 111 5.368 12.294 -3.264 867 HG22 VAL 111 1HG2 VAL 111 5.834 10.798 -4.102 868 HG23 VAL 111 2HG2 VAL 111 4.565 10.763 -2.876 869 H VAL 112 H VAL 112 9.601 9.916 -1.653 870 HA VAL 112 HA VAL 112 10.190 11.087 0.993 871 HB VAL 112 HB VAL 112 10.811 8.344 -0.165 872 HG11 VAL 112 1HG1 VAL 112 12.389 8.844 1.616 873 HG12 VAL 112 2HG1 VAL 112 11.082 9.446 2.663 874 HG13 VAL 112 3HG1 VAL 112 11.182 7.725 2.229 875 HG21 VAL 112 3HG2 VAL 112 8.648 9.268 1.774 876 HG22 VAL 112 1HG2 VAL 112 8.390 8.679 0.122 877 HG23 VAL 112 2HG2 VAL 112 9.019 7.583 1.349 878 HA PRO 113 HA PRO 113 14.175 12.381 -0.946 879 HB2 PRO 113 2HB PRO 113 14.852 14.324 0.859 880 HB3 PRO 113 3HB PRO 113 13.680 14.599 -0.465 881 HG2 PRO 113 2HG PRO 113 13.077 13.858 2.421 882 HG3 PRO 113 3HG PRO 113 12.372 15.196 1.454 883 HD2 PRO 113 2HD PRO 113 11.093 12.829 1.717 884 HD3 PRO 113 3HD PRO 113 11.085 13.705 0.156 885 H ASN 114 H ASN 114 13.247 11.123 2.117 886 HA ASN 114 HA ASN 114 15.892 10.522 3.175 887 HB2 ASN 114 2HB ASN 114 13.787 11.041 4.487 888 HB3 ASN 114 3HB ASN 114 13.138 9.487 3.979 889 HD21 ASN 114 2HD2 ASN 114 13.007 9.504 6.440 890 HD22 ASN 114 1HD2 ASN 114 14.405 8.827 7.287 891 H LEU 115 H LEU 115 16.320 9.614 0.826 892 HA LEU 115 HA LEU 115 15.401 7.113 -0.037 893 HB2 LEU 115 2HB LEU 115 16.616 8.786 -1.374 894 HB3 LEU 115 3HB LEU 115 18.076 8.500 -0.433 895 HG LEU 115 HG LEU 115 18.251 6.213 -1.361 896 HD11 LEU 115 1HD1 LEU 115 15.874 5.705 -1.833 897 HD12 LEU 115 2HD1 LEU 115 16.843 5.559 -3.295 898 HD13 LEU 115 3HD1 LEU 115 15.832 6.996 -3.053 899 HD21 LEU 115 3HD2 LEU 115 18.845 6.872 -3.646 900 HD22 LEU 115 1HD2 LEU 115 19.350 8.111 -2.486 901 HD23 LEU 115 2HD2 LEU 115 17.898 8.368 -3.481 902 H ASN 116 H ASN 116 16.352 5.021 -0.065 903 HA ASN 116 HA ASN 116 17.884 4.202 2.347 904 HB2 ASN 116 2HB ASN 116 15.819 2.969 1.902 905 HB3 ASN 116 3HB ASN 116 16.338 2.615 0.252 906 HD21 ASN 116 2HD2 ASN 116 18.510 1.435 0.126 907 HD22 ASN 116 1HD2 ASN 116 18.690 0.084 1.259 Start of MODEL 8 1 H1 MET 1 1H MET 1 18.640 -0.022 9.316 2 H2 MET 1 2H MET 1 17.802 1.192 10.025 3 HA MET 1 HA MET 1 15.769 -0.101 9.949 4 HB2 MET 1 2HB MET 1 16.491 -1.474 7.976 5 HB3 MET 1 3HB MET 1 17.586 -2.371 9.030 6 HG2 MET 1 2HG MET 1 15.504 -3.584 8.622 7 HG3 MET 1 3HG MET 1 15.682 -3.212 10.331 8 HE1 MET 1 3HE MET 1 13.042 -4.272 9.029 9 HE2 MET 1 1HE MET 1 13.119 -3.836 10.753 10 HE3 MET 1 2HE MET 1 11.795 -3.224 9.736 11 H THR 2 H THR 2 15.146 -1.253 11.854 12 HA THR 2 HA THR 2 17.233 -2.045 13.783 13 HB THR 2 HB THR 2 17.076 0.358 14.133 14 HG1 THR 2 HG1 THR 2 16.746 0.255 16.293 15 HG21 THR 2 3HG2 THR 2 15.033 1.400 15.052 16 HG22 THR 2 1HG2 THR 2 14.126 -0.095 14.745 17 HG23 THR 2 2HG2 THR 2 14.782 0.846 13.391 18 H ASP 3 H ASP 3 16.363 -3.018 15.716 19 HA ASP 3 HA ASP 3 14.040 -4.744 15.226 20 HB2 ASP 3 2HB ASP 3 16.141 -5.555 16.264 21 HB3 ASP 3 3HB ASP 3 15.900 -4.449 17.616 22 H SER 4 H SER 4 14.688 -1.732 16.925 23 HA SER 4 HA SER 4 12.498 -1.837 18.796 24 HB2 SER 4 2HB SER 4 14.050 0.534 17.692 25 HB3 SER 4 3HB SER 4 12.924 0.585 19.063 26 HG SER 4 HG SER 4 15.116 0.331 19.735 27 H GLU 5 H GLU 5 10.396 -1.474 18.515 28 HA GLU 5 HA GLU 5 8.388 -1.137 17.509 29 HB2 GLU 5 2HB GLU 5 9.670 1.460 16.607 30 HB3 GLU 5 3HB GLU 5 7.943 1.121 16.695 31 HG2 GLU 5 2HG GLU 5 8.166 0.728 19.110 32 HG3 GLU 5 3HG GLU 5 9.857 1.211 19.011 33 H LYS 6 H LYS 6 10.087 -2.792 15.990 34 HA LYS 6 HA LYS 6 10.074 -2.192 13.213 35 HB2 LYS 6 2HB LYS 6 10.834 -4.455 12.887 36 HB3 LYS 6 3HB LYS 6 11.621 -3.764 14.301 37 HG2 LYS 6 2HG LYS 6 9.988 -4.983 15.774 38 HG3 LYS 6 3HG LYS 6 9.259 -5.713 14.331 39 HD2 LYS 6 2HD LYS 6 11.389 -6.809 13.769 40 HD3 LYS 6 3HD LYS 6 12.177 -6.003 15.140 41 HE2 LYS 6 2HE LYS 6 10.525 -7.123 16.677 42 HE3 LYS 6 3HE LYS 6 9.921 -8.046 15.291 43 HZ1 LYS 6 3HZ LYS 6 12.725 -8.065 16.292 44 HZ2 LYS 6 1HZ LYS 6 12.172 -8.968 15.037 45 HZ3 LYS 6 2HZ LYS 6 11.635 -9.262 16.554 46 H SER 7 H SER 7 9.148 -3.507 11.508 47 HA SER 7 HA SER 7 7.426 -4.076 10.203 48 HB2 SER 7 2HB SER 7 6.389 -5.575 12.628 49 HB3 SER 7 3HB SER 7 5.965 -5.876 10.936 50 HG SER 7 HG SER 7 7.972 -6.633 10.526 51 H ALA 8 H ALA 8 7.129 -1.581 10.861 52 HA ALA 8 HA ALA 8 4.697 -1.015 12.312 53 HB1 ALA 8 3HB ALA 8 5.398 1.294 12.128 54 HB2 ALA 8 1HB ALA 8 6.798 0.281 12.520 55 HB3 ALA 8 2HB ALA 8 6.565 0.880 10.861 56 H THR 9 H THR 9 3.941 -2.482 10.006 57 HA THR 9 HA THR 9 2.537 -0.582 8.209 58 HB THR 9 HB THR 9 1.526 -2.717 7.269 59 HG1 THR 9 HG1 THR 9 1.966 -4.093 9.028 60 HG21 THR 9 3HG2 THR 9 3.530 -3.370 6.031 61 HG22 THR 9 1HG2 THR 9 4.558 -2.527 7.209 62 HG23 THR 9 2HG2 THR 9 3.433 -1.606 6.176 63 H ILE 10 H ILE 10 0.276 -0.421 8.073 64 HA ILE 10 HA ILE 10 -1.288 -1.516 10.387 65 HB ILE 10 HB ILE 10 -2.805 0.350 10.220 66 HG12 ILE 10 2HG1 ILE 10 -0.904 1.592 8.184 67 HG13 ILE 10 3HG1 ILE 10 -2.492 0.909 7.820 68 HG21 ILE 10 1HG2 ILE 10 0.058 1.345 10.543 69 HG22 ILE 10 2HG2 ILE 10 -1.403 1.982 11.327 70 HG23 ILE 10 3HG2 ILE 10 -0.815 0.372 11.748 71 HD11 ILE 10 3HD1 ILE 10 -3.554 2.584 9.326 72 HD12 ILE 10 1HD1 ILE 10 -1.960 3.347 9.549 73 HD13 ILE 10 2HD1 ILE 10 -2.702 3.297 7.943 74 H LYS 11 H LYS 11 -3.423 -2.228 10.028 75 HA LYS 11 HA LYS 11 -4.025 -3.104 7.236 76 HB2 LYS 11 2HB LYS 11 -4.087 -4.796 9.036 77 HB3 LYS 11 3HB LYS 11 -5.335 -3.863 9.875 78 HG2 LYS 11 2HG LYS 11 -6.873 -4.173 7.952 79 HG3 LYS 11 3HG LYS 11 -5.606 -5.055 7.073 80 HD2 LYS 11 2HD LYS 11 -5.590 -6.794 8.839 81 HD3 LYS 11 3HD LYS 11 -6.825 -5.893 9.745 82 HE2 LYS 11 2HE LYS 11 -8.390 -6.117 7.822 83 HE3 LYS 11 3HE LYS 11 -7.165 -7.031 6.932 84 HZ1 LYS 11 3HZ LYS 11 -7.253 -8.727 8.687 85 HZ2 LYS 11 1HZ LYS 11 -8.743 -8.512 8.056 86 HZ3 LYS 11 2HZ LYS 11 -8.378 -7.881 9.515 87 H VAL 12 H VAL 12 -5.686 -2.302 6.086 88 HA VAL 12 HA VAL 12 -7.645 -0.462 7.396 89 HB VAL 12 HB VAL 12 -7.784 0.847 5.306 90 HG11 VAL 12 1HG1 VAL 12 -5.057 0.895 6.661 91 HG12 VAL 12 2HG1 VAL 12 -5.804 2.221 5.747 92 HG13 VAL 12 3HG1 VAL 12 -6.537 1.662 7.261 93 HG21 VAL 12 3HG2 VAL 12 -6.712 -0.746 3.723 94 HG22 VAL 12 1HG2 VAL 12 -5.955 0.855 3.693 95 HG23 VAL 12 2HG2 VAL 12 -5.153 -0.486 4.530 96 H THR 13 H THR 13 -9.762 -0.473 6.558 97 HA THR 13 HA THR 13 -10.511 -2.757 4.803 98 HB THR 13 HB THR 13 -12.354 -3.324 6.320 99 HG1 THR 13 HG1 THR 13 -12.320 -2.469 8.431 100 HG21 THR 13 3HG2 THR 13 -11.126 -4.499 8.024 101 HG22 THR 13 1HG2 THR 13 -9.740 -3.395 7.883 102 HG23 THR 13 2HG2 THR 13 -10.134 -4.504 6.553 103 H ASP 14 H ASP 14 -12.678 -2.588 3.923 104 HA ASP 14 HA ASP 14 -13.057 -0.157 2.631 105 HB2 ASP 14 2HB ASP 14 -13.864 -2.497 2.001 106 HB3 ASP 14 3HB ASP 14 -15.218 -2.253 3.089 107 H ALA 15 H ALA 15 -14.409 -1.094 5.730 108 HA ALA 15 HA ALA 15 -16.531 0.899 5.794 109 HB1 ALA 15 3HB ALA 15 -16.846 0.057 8.084 110 HB2 ALA 15 1HB ALA 15 -16.696 -1.284 6.934 111 HB3 ALA 15 2HB ALA 15 -15.322 -0.849 7.979 112 H SER 16 H SER 16 -13.136 1.058 6.458 113 HA SER 16 HA SER 16 -13.435 3.645 7.949 114 HB2 SER 16 2HB SER 16 -11.437 1.420 8.483 115 HB3 SER 16 3HB SER 16 -11.495 2.996 9.302 116 HG SER 16 HG SER 16 -12.557 1.335 10.497 117 H PHE 17 H PHE 17 -12.141 2.193 5.182 118 HA PHE 17 HA PHE 17 -9.608 3.162 4.824 119 HB2 PHE 17 2HB PHE 17 -11.073 1.671 3.331 120 HB3 PHE 17 3HB PHE 17 -11.742 3.139 2.648 121 HD1 PHE 17 HD2 PHE 17 -10.252 4.655 1.264 122 HD2 PHE 17 HD1 PHE 17 -8.871 0.893 2.860 123 HE1 PHE 17 HE2 PHE 17 -8.326 4.685 -0.311 124 HE2 PHE 17 HE1 PHE 17 -6.995 0.900 1.259 125 HZ PHE 17 HZ PHE 17 -6.715 2.804 -0.339 126 H ALA 18 H ALA 18 -12.625 5.019 4.230 127 HA ALA 18 HA ALA 18 -11.280 7.268 3.127 128 HB1 ALA 18 3HB ALA 18 -14.019 7.091 4.448 129 HB2 ALA 18 1HB ALA 18 -13.444 8.414 3.408 130 HB3 ALA 18 2HB ALA 18 -13.654 6.791 2.728 131 H THR 19 H THR 19 -11.979 6.421 6.501 132 HA THR 19 HA THR 19 -11.078 9.030 7.535 133 HB THR 19 HB THR 19 -11.499 6.420 9.051 134 HG1 THR 19 HG1 THR 19 -13.580 7.201 9.433 135 HG21 THR 19 3HG2 THR 19 -11.587 9.344 9.931 136 HG22 THR 19 1HG2 THR 19 -10.366 8.139 10.396 137 HG23 THR 19 2HG2 THR 19 -12.032 7.955 10.949 138 H ASP 20 H ASP 20 -9.655 5.822 6.962 139 HA ASP 20 HA ASP 20 -7.243 6.485 8.493 140 HB2 ASP 20 2HB ASP 20 -7.973 4.104 6.742 141 HB3 ASP 20 3HB ASP 20 -6.474 4.240 7.657 142 H VAL 21 H VAL 21 -8.008 6.167 5.042 143 HA VAL 21 HA VAL 21 -5.224 6.950 4.306 144 HB VAL 21 HB VAL 21 -7.403 5.745 2.568 145 HG11 VAL 21 1HG1 VAL 21 -4.404 6.015 2.102 146 HG12 VAL 21 2HG1 VAL 21 -5.592 5.261 1.018 147 HG13 VAL 21 3HG1 VAL 21 -5.658 6.995 1.311 148 HG21 VAL 21 3HG2 VAL 21 -6.778 4.105 4.283 149 HG22 VAL 21 1HG2 VAL 21 -6.089 3.640 2.736 150 HG23 VAL 21 2HG2 VAL 21 -5.050 4.392 3.967 151 H LEU 22 H LEU 22 -8.631 7.721 3.439 152 HA LEU 22 HA LEU 22 -7.719 9.885 1.731 153 HB2 LEU 22 2HB LEU 22 -10.583 9.232 2.378 154 HB3 LEU 22 3HB LEU 22 -9.959 10.133 1.010 155 HG LEU 22 HG LEU 22 -9.526 7.161 1.513 156 HD11 LEU 22 1HD1 LEU 22 -11.833 7.751 0.847 157 HD12 LEU 22 2HD1 LEU 22 -10.994 6.841 -0.418 158 HD13 LEU 22 3HD1 LEU 22 -11.202 8.599 -0.578 159 HD21 LEU 22 3HD2 LEU 22 -8.593 7.064 -0.756 160 HD22 LEU 22 1HD2 LEU 22 -7.606 8.112 0.264 161 HD23 LEU 22 2HD2 LEU 22 -8.736 8.824 -0.910 162 H SER 23 H SER 23 -8.523 9.838 5.056 163 HA SER 23 HA SER 23 -9.122 12.739 5.132 164 HB2 SER 23 2HB SER 23 -9.164 10.708 7.344 165 HB3 SER 23 3HB SER 23 -9.566 12.422 7.506 166 HG SER 23 HG SER 23 -10.851 10.553 5.780 167 H SER 24 H SER 24 -6.300 11.210 4.757 168 HA SER 24 HA SER 24 -4.722 11.909 6.999 169 HB2 SER 24 2HB SER 24 -2.889 11.154 5.552 170 HB3 SER 24 3HB SER 24 -4.235 10.019 5.577 171 HG SER 24 HG SER 24 -4.590 10.358 3.534 172 H ASN 25 H ASN 25 -3.073 13.351 7.281 173 HA ASN 25 HA ASN 25 -2.792 15.643 5.388 174 HB2 ASN 25 2HB ASN 25 -3.897 15.958 7.769 175 HB3 ASN 25 3HB ASN 25 -2.233 15.913 8.346 176 HD21 ASN 25 1HD2 ASN 25 -0.737 17.467 6.895 177 HD22 ASN 25 2HD2 ASN 25 -1.447 19.067 6.650 178 H LYS 26 H LYS 26 -1.425 13.006 5.629 179 HA LYS 26 HA LYS 26 1.326 13.877 5.139 180 HB2 LYS 26 2HB LYS 26 1.309 13.162 7.545 181 HB3 LYS 26 3HB LYS 26 0.621 11.611 7.057 182 HG2 LYS 26 2HG LYS 26 2.728 11.189 5.701 183 HG3 LYS 26 3HG LYS 26 3.375 12.713 6.320 184 HD2 LYS 26 2HD LYS 26 4.302 10.879 7.594 185 HD3 LYS 26 3HD LYS 26 3.191 11.767 8.655 186 HE2 LYS 26 2HE LYS 26 1.422 10.093 8.233 187 HE3 LYS 26 3HE LYS 26 2.441 9.273 7.059 188 HZ1 LYS 26 3HZ LYS 26 2.968 9.444 9.975 189 HZ2 LYS 26 1HZ LYS 26 3.981 8.717 8.912 190 HZ3 LYS 26 2HZ LYS 26 2.468 8.129 9.130 191 HA PRO 27 HA PRO 27 0.308 11.092 1.784 192 HB2 PRO 27 2HB PRO 27 3.209 10.320 1.714 193 HB3 PRO 27 3HB PRO 27 2.145 10.825 0.367 194 HG2 PRO 27 2HG PRO 27 3.933 12.572 1.428 195 HG3 PRO 27 3HG PRO 27 2.268 13.123 1.046 196 HD2 PRO 27 2HD PRO 27 3.395 12.314 3.729 197 HD3 PRO 27 3HD PRO 27 2.382 13.725 3.300 198 H VAL 28 H VAL 28 -0.251 8.981 1.433 199 HA VAL 28 HA VAL 28 0.558 6.930 3.447 200 HB VAL 28 HB VAL 28 -2.245 7.305 2.340 201 HG11 VAL 28 1HG1 VAL 28 -2.843 5.690 4.146 202 HG12 VAL 28 2HG1 VAL 28 -1.764 4.977 2.951 203 HG13 VAL 28 3HG1 VAL 28 -1.120 5.492 4.524 204 HG21 VAL 28 3HG2 VAL 28 -2.860 7.974 4.666 205 HG22 VAL 28 1HG2 VAL 28 -1.129 8.089 5.059 206 HG23 VAL 28 2HG2 VAL 28 -1.850 9.153 3.836 207 H LEU 29 H LEU 29 1.327 5.127 2.571 208 HA LEU 29 HA LEU 29 0.717 4.406 -0.252 209 HB2 LEU 29 2HB LEU 29 2.664 3.326 1.801 210 HB3 LEU 29 3HB LEU 29 2.260 2.424 0.346 211 HG LEU 29 HG LEU 29 3.466 5.219 0.322 212 HD11 LEU 29 1HD1 LEU 29 4.749 2.494 -0.187 213 HD12 LEU 29 2HD1 LEU 29 4.988 3.481 1.269 214 HD13 LEU 29 3HD1 LEU 29 5.531 4.086 -0.294 215 HD21 LEU 29 3HD2 LEU 29 2.207 4.656 -1.762 216 HD22 LEU 29 1HD2 LEU 29 3.111 3.139 -1.899 217 HD23 LEU 29 2HD2 LEU 29 3.939 4.703 -2.053 218 H VAL 30 H VAL 30 -0.734 2.869 -0.729 219 HA VAL 30 HA VAL 30 -1.642 1.007 1.438 220 HB VAL 30 HB VAL 30 -3.346 1.987 -0.865 221 HG11 VAL 30 1HG1 VAL 30 -4.013 0.204 1.532 222 HG12 VAL 30 2HG1 VAL 30 -5.119 0.726 0.241 223 HG13 VAL 30 3HG1 VAL 30 -3.810 -0.371 -0.139 224 HG21 VAL 30 3HG2 VAL 30 -4.719 3.055 0.879 225 HG22 VAL 30 1HG2 VAL 30 -3.545 2.589 2.122 226 HG23 VAL 30 2HG2 VAL 30 -3.100 3.752 0.858 227 H ASP 31 H ASP 31 -0.852 -0.901 1.107 228 HA ASP 31 HA ASP 31 -0.190 -1.950 -1.584 229 HB2 ASP 31 2HB ASP 31 1.477 -2.245 0.084 230 HB3 ASP 31 3HB ASP 31 0.318 -2.816 1.272 231 H PHE 32 H PHE 32 -1.851 -2.690 -2.688 232 HA PHE 32 HA PHE 32 -4.065 -4.242 -1.478 233 HB2 PHE 32 2HB PHE 32 -3.593 -3.268 -4.312 234 HB3 PHE 32 3HB PHE 32 -4.987 -4.173 -3.753 235 HD1 PHE 32 HD1 PHE 32 -3.256 -0.880 -3.593 236 HD2 PHE 32 HD2 PHE 32 -6.737 -3.138 -2.431 237 HE1 PHE 32 HE1 PHE 32 -4.419 1.222 -2.980 238 HE2 PHE 32 HE2 PHE 32 -7.894 -1.032 -1.823 239 HZ PHE 32 HZ PHE 32 -6.743 1.154 -2.096 240 H TRP 33 H TRP 33 -3.636 -6.271 -1.098 241 HA TRP 33 HA TRP 33 -1.819 -7.873 -2.841 242 HB2 TRP 33 2HB TRP 33 -0.393 -8.369 -1.045 243 HB3 TRP 33 3HB TRP 33 -0.632 -6.643 -0.932 244 HD1 TRP 33 HD1 TRP 33 -2.775 -6.018 0.893 245 HE1 TRP 33 HE1 TRP 33 -3.296 -7.041 3.192 246 HE3 TRP 33 HE3 TRP 33 0.213 -10.164 0.621 247 HZ2 TRP 33 HZ2 TRP 33 -2.461 -9.323 4.738 248 HZ3 TRP 33 HZ3 TRP 33 0.407 -11.689 2.561 249 HH2 TRP 33 HH2 TRP 33 -0.963 -11.315 4.597 250 H ALA 34 H ALA 34 -1.725 -10.233 -1.986 251 HA ALA 34 HA ALA 34 -3.868 -10.907 -0.102 252 HB1 ALA 34 3HB ALA 34 -4.978 -11.376 -2.246 253 HB2 ALA 34 1HB ALA 34 -3.596 -12.364 -2.770 254 HB3 ALA 34 2HB ALA 34 -4.609 -12.874 -1.398 255 H THR 35 H THR 35 -3.384 -12.531 1.273 256 HA THR 35 HA THR 35 -0.686 -13.434 1.522 257 HB THR 35 HB THR 35 -2.355 -13.200 3.363 258 HG1 THR 35 HG1 THR 35 -1.544 -15.017 4.461 259 HG21 THR 35 3HG2 THR 35 -3.327 -15.960 2.501 260 HG22 THR 35 1HG2 THR 35 -4.261 -14.454 2.328 261 HG23 THR 35 2HG2 THR 35 -3.820 -15.041 3.937 262 H TRP 36 H TRP 36 -3.307 -14.758 -0.362 263 HA TRP 36 HA TRP 36 -2.040 -17.344 -0.799 264 HB2 TRP 36 2HB TRP 36 -3.853 -17.651 -2.462 265 HB3 TRP 36 3HB TRP 36 -4.357 -17.347 -0.824 266 HD1 TRP 36 HD1 TRP 36 -6.346 -15.867 -0.586 267 HE1 TRP 36 HE1 TRP 36 -7.715 -14.337 -2.058 268 HE3 TRP 36 HE3 TRP 36 -3.119 -15.442 -4.582 269 HZ2 TRP 36 HZ2 TRP 36 -7.342 -12.806 -4.461 270 HZ3 TRP 36 HZ3 TRP 36 -3.598 -13.772 -6.353 271 HH2 TRP 36 HH2 TRP 36 -5.725 -12.491 -6.332 272 H CYS 37 H CYS 37 -1.088 -14.350 -1.935 273 HA CYS 37 HA CYS 37 -0.367 -15.358 -4.647 274 HB2 CYS 37 2HB CYS 37 -1.825 -13.378 -4.487 275 HB3 CYS 37 3HB CYS 37 -0.595 -12.548 -3.548 276 HG CYS 37 HG CYS 37 -0.457 -13.754 -6.648 277 H GLY 38 H GLY 38 1.649 -15.754 -5.213 278 HA2 GLY 38 2HA GLY 38 3.861 -15.854 -3.484 279 HA3 GLY 38 3HA GLY 38 3.933 -15.925 -5.244 280 HA PRO 39 HA PRO 39 5.839 -11.939 -5.411 281 HB2 PRO 39 2HB PRO 39 4.289 -10.212 -6.943 282 HB3 PRO 39 3HB PRO 39 5.359 -11.497 -7.571 283 HG2 PRO 39 2HG PRO 39 2.377 -11.624 -7.089 284 HG3 PRO 39 3HG PRO 39 3.294 -12.182 -8.522 285 HD2 PRO 39 2HD PRO 39 2.525 -13.932 -6.627 286 HD3 PRO 39 3HD PRO 39 4.146 -14.067 -7.357 287 H CYS 40 H CYS 40 2.433 -11.732 -4.316 288 HA CYS 40 HA CYS 40 2.717 -9.253 -2.852 289 HB2 CYS 40 2HB CYS 40 0.938 -11.674 -2.342 290 HB3 CYS 40 3HB CYS 40 0.849 -10.150 -1.473 291 HG CYS 40 HG CYS 40 0.468 -10.662 -4.728 292 H LYS 41 H LYS 41 3.161 -12.684 -1.858 293 HA LYS 41 HA LYS 41 4.084 -12.156 0.787 294 HB2 LYS 41 2HB LYS 41 3.302 -14.367 -0.352 295 HB3 LYS 41 3HB LYS 41 4.934 -14.485 -0.982 296 HG2 LYS 41 2HG LYS 41 4.814 -15.855 0.954 297 HG3 LYS 41 3HG LYS 41 5.821 -14.473 1.362 298 HD2 LYS 41 2HD LYS 41 4.345 -15.078 3.207 299 HD3 LYS 41 3HD LYS 41 3.944 -13.460 2.629 300 HE2 LYS 41 2HE LYS 41 1.997 -14.323 1.411 301 HE3 LYS 41 3HE LYS 41 2.456 -15.989 1.775 302 HZ1 LYS 41 3HZ LYS 41 0.703 -15.130 3.274 303 HZ2 LYS 41 1HZ LYS 41 1.720 -13.993 3.849 304 HZ3 LYS 41 2HZ LYS 41 2.036 -15.574 4.107 305 H MET 42 H MET 42 5.870 -12.262 -2.277 306 HA MET 42 HA MET 42 8.485 -11.962 -1.075 307 HB2 MET 42 2HB MET 42 7.509 -11.513 -3.917 308 HB3 MET 42 3HB MET 42 9.200 -11.437 -3.428 309 HG2 MET 42 2HG MET 42 7.426 -13.884 -3.107 310 HG3 MET 42 3HG MET 42 8.575 -13.619 -4.414 311 HE1 MET 42 3HE MET 42 8.421 -16.220 -2.548 312 HE2 MET 42 1HE MET 42 9.560 -16.031 -3.902 313 HE3 MET 42 2HE MET 42 10.153 -16.535 -2.304 314 H VAL 43 H VAL 43 6.195 -9.487 -2.357 315 HA VAL 43 HA VAL 43 8.194 -7.378 -1.867 316 HB VAL 43 HB VAL 43 6.601 -7.443 -3.816 317 HG11 VAL 43 1HG1 VAL 43 4.427 -6.379 -3.579 318 HG12 VAL 43 2HG1 VAL 43 4.487 -7.857 -2.605 319 HG13 VAL 43 3HG1 VAL 43 4.615 -6.270 -1.824 320 HG21 VAL 43 3HG2 VAL 43 8.001 -5.492 -3.242 321 HG22 VAL 43 1HG2 VAL 43 6.449 -5.026 -3.966 322 HG23 VAL 43 2HG2 VAL 43 6.699 -4.860 -2.220 323 H ALA 44 H ALA 44 5.542 -8.738 -0.044 324 HA ALA 44 HA ALA 44 4.884 -6.738 1.721 325 HB1 ALA 44 3HB ALA 44 5.311 -9.698 2.286 326 HB2 ALA 44 1HB ALA 44 4.450 -8.567 3.352 327 HB3 ALA 44 2HB ALA 44 3.823 -8.908 1.730 328 HA PRO 45 HA PRO 45 8.643 -7.381 4.635 329 HB2 PRO 45 2HB PRO 45 10.995 -8.437 3.657 330 HB3 PRO 45 3HB PRO 45 9.715 -9.390 4.466 331 HG2 PRO 45 2HG PRO 45 10.132 -8.992 1.485 332 HG3 PRO 45 3HG PRO 45 9.880 -10.533 2.371 333 HD2 PRO 45 2HD PRO 45 7.822 -9.331 1.156 334 HD3 PRO 45 3HD PRO 45 7.596 -10.026 2.782 335 H VAL 46 H VAL 46 9.211 -6.602 1.197 336 HA VAL 46 HA VAL 46 11.262 -4.599 1.696 337 HB VAL 46 HB VAL 46 9.569 -5.348 -0.692 338 HG11 VAL 46 1HG1 VAL 46 9.633 -3.047 -1.031 339 HG12 VAL 46 2HG1 VAL 46 11.289 -2.882 -0.416 340 HG13 VAL 46 3HG1 VAL 46 10.965 -3.666 -1.992 341 HG21 VAL 46 3HG2 VAL 46 11.540 -6.723 -0.101 342 HG22 VAL 46 1HG2 VAL 46 11.743 -5.896 -1.649 343 HG23 VAL 46 2HG2 VAL 46 12.570 -5.279 -0.197 344 H LEU 47 H LEU 47 7.723 -4.334 1.032 345 HA LEU 47 HA LEU 47 7.770 -1.493 1.642 346 HB2 LEU 47 2HB LEU 47 5.429 -1.482 1.266 347 HB3 LEU 47 3HB LEU 47 6.266 -2.398 0.032 348 HG LEU 47 HG LEU 47 5.579 -4.490 1.556 349 HD11 LEU 47 1HD1 LEU 47 3.407 -2.444 2.186 350 HD12 LEU 47 2HD1 LEU 47 4.505 -3.184 3.369 351 HD13 LEU 47 3HD1 LEU 47 3.325 -4.186 2.518 352 HD21 LEU 47 3HD2 LEU 47 3.632 -3.031 -0.253 353 HD22 LEU 47 1HD2 LEU 47 3.598 -4.761 0.169 354 HD23 LEU 47 2HD2 LEU 47 4.935 -4.113 -0.783 355 H GLU 48 H GLU 48 7.388 -4.333 3.691 356 HA GLU 48 HA GLU 48 6.532 -2.871 6.034 357 HB2 GLU 48 2HB GLU 48 6.314 -5.313 5.732 358 HB3 GLU 48 3HB GLU 48 8.078 -5.476 5.805 359 HG2 GLU 48 2HG GLU 48 8.039 -4.548 8.105 360 HG3 GLU 48 3HG GLU 48 6.279 -4.411 8.021 361 H GLU 49 H GLU 49 9.820 -3.574 4.677 362 HA GLU 49 HA GLU 49 11.212 -2.136 6.766 363 HB2 GLU 49 2HB GLU 49 11.945 -2.788 3.890 364 HB3 GLU 49 3HB GLU 49 12.946 -1.786 4.945 365 HG2 GLU 49 2HG GLU 49 13.090 -3.605 6.594 366 HG3 GLU 49 3HG GLU 49 12.096 -4.638 5.573 367 H ILE 50 H ILE 50 9.808 -0.995 3.598 368 HA ILE 50 HA ILE 50 10.472 1.766 4.008 369 HB ILE 50 HB ILE 50 7.905 0.687 2.779 370 HG12 ILE 50 2HG1 ILE 50 9.758 -0.236 1.534 371 HG13 ILE 50 3HG1 ILE 50 8.927 0.978 0.594 372 HG21 ILE 50 1HG2 ILE 50 7.681 3.065 3.328 373 HG22 ILE 50 2HG2 ILE 50 9.191 3.429 2.479 374 HG23 ILE 50 3HG2 ILE 50 7.768 2.822 1.598 375 HD11 ILE 50 3HD1 ILE 50 11.347 1.078 0.281 376 HD12 ILE 50 1HD1 ILE 50 10.762 2.581 1.013 377 HD13 ILE 50 2HD1 ILE 50 11.596 1.363 2.015 378 H ALA 51 H ALA 51 7.602 -0.048 5.206 379 HA ALA 51 HA ALA 51 6.330 2.067 6.548 380 HB1 ALA 51 3HB ALA 51 5.095 0.342 7.669 381 HB2 ALA 51 1HB ALA 51 5.476 -0.291 6.055 382 HB3 ALA 51 2HB ALA 51 6.394 -0.841 7.466 383 H THR 52 H THR 52 8.853 -0.146 7.781 384 HA THR 52 HA THR 52 8.792 0.913 10.488 385 HB THR 52 HB THR 52 10.887 -0.797 9.098 386 HG1 THR 52 HG1 THR 52 8.999 -1.874 9.094 387 HG21 THR 52 3HG2 THR 52 11.808 0.127 11.157 388 HG22 THR 52 1HG2 THR 52 11.364 -1.558 11.440 389 HG23 THR 52 2HG2 THR 52 10.312 -0.251 12.042 390 H GLU 53 H GLU 53 10.900 1.478 7.649 391 HA GLU 53 HA GLU 53 12.675 3.209 9.197 392 HB2 GLU 53 2HB GLU 53 12.647 2.443 6.253 393 HB3 GLU 53 3HB GLU 53 13.900 3.367 7.071 394 HG2 GLU 53 2HG GLU 53 14.113 1.400 8.711 395 HG3 GLU 53 3HG GLU 53 13.210 0.463 7.539 396 H ARG 54 H ARG 54 9.925 3.854 7.091 397 HA ARG 54 HA ARG 54 10.592 6.785 7.142 398 HB2 ARG 54 2HB ARG 54 9.192 5.264 4.914 399 HB3 ARG 54 3HB ARG 54 9.588 6.979 4.918 400 HG2 ARG 54 2HG ARG 54 11.610 4.702 4.924 401 HG3 ARG 54 3HG ARG 54 11.157 5.688 3.539 402 HD2 ARG 54 2HD ARG 54 12.106 7.691 4.549 403 HD3 ARG 54 3HD ARG 54 12.397 6.871 6.064 404 HE ARG 54 HE ARG 54 13.863 6.373 3.503 405 HH11 ARG 54 1HH1 ARG 54 13.818 5.899 7.034 406 HH12 ARG 54 2HH1 ARG 54 15.488 5.348 6.970 407 HH21 ARG 54 1HH2 ARG 54 15.865 5.500 3.627 408 HH22 ARG 54 2HH2 ARG 54 16.479 4.977 5.190 409 H ALA 55 H ALA 55 8.828 5.167 8.977 410 HA ALA 55 HA ALA 55 6.143 5.849 8.783 411 HB1 ALA 55 3HB ALA 55 7.138 4.388 10.507 412 HB2 ALA 55 1HB ALA 55 7.910 5.795 11.271 413 HB3 ALA 55 2HB ALA 55 6.139 5.650 11.243 414 H THR 56 H THR 56 8.793 8.066 9.561 415 HA THR 56 HA THR 56 7.169 10.209 10.647 416 HB THR 56 HB THR 56 9.296 11.535 10.279 417 HG1 THR 56 HG1 THR 56 11.109 10.326 9.689 418 HG21 THR 56 3HG2 THR 56 9.646 8.884 11.753 419 HG22 THR 56 1HG2 THR 56 8.852 10.332 12.410 420 HG23 THR 56 2HG2 THR 56 10.577 10.376 12.008 421 H ASP 57 H ASP 57 7.968 9.258 7.364 422 HA ASP 57 HA ASP 57 6.946 11.886 6.338 423 HB2 ASP 57 2HB ASP 57 9.393 11.270 5.958 424 HB3 ASP 57 3HB ASP 57 8.809 10.005 4.873 425 H LEU 58 H LEU 58 6.564 8.403 6.141 426 HA LEU 58 HA LEU 58 4.121 8.755 4.459 427 HB2 LEU 58 2HB LEU 58 5.959 6.328 4.515 428 HB3 LEU 58 3HB LEU 58 4.472 6.493 3.584 429 HG LEU 58 HG LEU 58 7.044 8.023 3.105 430 HD11 LEU 58 1HD1 LEU 58 7.146 6.639 1.057 431 HD12 LEU 58 2HD1 LEU 58 5.679 5.783 1.566 432 HD13 LEU 58 3HD1 LEU 58 7.173 5.635 2.518 433 HD21 LEU 58 3HD2 LEU 58 5.937 8.716 0.979 434 HD22 LEU 58 1HD2 LEU 58 5.138 9.378 2.406 435 HD23 LEU 58 2HD2 LEU 58 4.414 7.992 1.550 436 H THR 59 H THR 59 2.352 7.477 5.074 437 HA THR 59 HA THR 59 2.730 5.578 7.384 438 HB THR 59 HB THR 59 0.157 6.772 6.313 439 HG1 THR 59 HG1 THR 59 0.022 7.445 8.488 440 HG21 THR 59 3HG2 THR 59 -0.955 5.467 8.122 441 HG22 THR 59 1HG2 THR 59 0.570 4.606 8.425 442 HG23 THR 59 2HG2 THR 59 -0.286 4.416 6.874 443 H VAL 60 H VAL 60 2.527 3.391 6.885 444 HA VAL 60 HA VAL 60 1.946 2.757 4.013 445 HB VAL 60 HB VAL 60 3.901 1.306 5.790 446 HG11 VAL 60 1HG1 VAL 60 2.834 -0.175 4.108 447 HG12 VAL 60 2HG1 VAL 60 3.208 0.998 2.827 448 HG13 VAL 60 3HG1 VAL 60 4.513 0.145 3.673 449 HG21 VAL 60 3HG2 VAL 60 4.869 3.450 5.167 450 HG22 VAL 60 1HG2 VAL 60 5.598 2.196 4.157 451 HG23 VAL 60 2HG2 VAL 60 4.338 3.254 3.489 452 H ALA 61 H ALA 61 0.129 1.697 3.804 453 HA ALA 61 HA ALA 61 -0.964 0.033 6.010 454 HB1 ALA 61 3HB ALA 61 -2.120 2.194 5.654 455 HB2 ALA 61 1HB ALA 61 -2.391 1.763 3.955 456 HB3 ALA 61 2HB ALA 61 -3.165 0.818 5.242 457 H LYS 62 H LYS 62 -2.345 -1.724 5.416 458 HA LYS 62 HA LYS 62 -1.937 -2.880 2.677 459 HB2 LYS 62 2HB LYS 62 -1.851 -4.293 5.370 460 HB3 LYS 62 3HB LYS 62 -1.890 -5.100 3.799 461 HG2 LYS 62 2HG LYS 62 0.255 -4.024 3.170 462 HG3 LYS 62 3HG LYS 62 0.301 -3.187 4.722 463 HD2 LYS 62 2HD LYS 62 1.776 -5.086 4.847 464 HD3 LYS 62 3HD LYS 62 0.396 -5.351 5.904 465 HE2 LYS 62 2HE LYS 62 0.799 -7.428 4.847 466 HE3 LYS 62 3HE LYS 62 -0.649 -6.778 4.087 467 HZ1 LYS 62 3HZ LYS 62 0.787 -6.052 2.190 468 HZ2 LYS 62 1HZ LYS 62 0.874 -7.661 2.436 469 HZ3 LYS 62 2HZ LYS 62 2.090 -6.690 2.936 470 H LEU 63 H LEU 63 -3.609 -3.660 1.658 471 HA LEU 63 HA LEU 63 -6.241 -4.095 3.017 472 HB2 LEU 63 2HB LEU 63 -6.103 -1.956 1.687 473 HB3 LEU 63 3HB LEU 63 -5.694 -2.883 0.267 474 HG LEU 63 HG LEU 63 -7.981 -2.137 0.190 475 HD11 LEU 63 1HD1 LEU 63 -9.134 -4.145 -0.374 476 HD12 LEU 63 2HD1 LEU 63 -8.168 -5.111 0.731 477 HD13 LEU 63 3HD1 LEU 63 -7.431 -4.445 -0.736 478 HD21 LEU 63 3HD2 LEU 63 -8.501 -3.721 2.729 479 HD22 LEU 63 1HD2 LEU 63 -9.699 -2.839 1.764 480 HD23 LEU 63 2HD2 LEU 63 -8.423 -1.951 2.595 481 H ASP 64 H ASP 64 -6.585 -6.309 2.956 482 HA ASP 64 HA ASP 64 -5.263 -7.920 0.885 483 HB2 ASP 64 2HB ASP 64 -5.543 -8.647 3.339 484 HB3 ASP 64 3HB ASP 64 -7.199 -8.980 2.922 485 H VAL 65 H VAL 65 -6.146 -8.317 -1.060 486 HA VAL 65 HA VAL 65 -8.762 -7.328 -1.738 487 HB VAL 65 HB VAL 65 -8.394 -8.132 -3.951 488 HG11 VAL 65 1HG1 VAL 65 -6.417 -6.905 -4.533 489 HG12 VAL 65 2HG1 VAL 65 -7.154 -6.094 -3.142 490 HG13 VAL 65 3HG1 VAL 65 -5.724 -7.109 -2.913 491 HG21 VAL 65 3HG2 VAL 65 -6.497 -9.435 -4.684 492 HG22 VAL 65 1HG2 VAL 65 -5.886 -9.558 -3.028 493 HG23 VAL 65 2HG2 VAL 65 -7.397 -10.372 -3.487 494 H ASP 66 H ASP 66 -7.836 -10.365 -0.400 495 HA ASP 66 HA ASP 66 -10.177 -11.842 -1.368 496 HB2 ASP 66 2HB ASP 66 -7.832 -12.739 -0.666 497 HB3 ASP 66 3HB ASP 66 -8.418 -12.574 0.989 498 H THR 67 H THR 67 -9.351 -9.806 1.412 499 HA THR 67 HA THR 67 -11.784 -10.647 2.906 500 HB THR 67 HB THR 67 -10.871 -9.531 4.801 501 HG1 THR 67 HG1 THR 67 -8.820 -8.493 4.614 502 HG21 THR 67 3HG2 THR 67 -8.542 -10.943 3.451 503 HG22 THR 67 1HG2 THR 67 -9.882 -11.755 4.286 504 HG23 THR 67 2HG2 THR 67 -8.793 -10.692 5.190 505 H ASN 68 H ASN 68 -10.437 -7.847 1.239 506 HA ASN 68 HA ASN 68 -13.072 -6.432 1.468 507 HB2 ASN 68 2HB ASN 68 -10.258 -5.329 1.769 508 HB3 ASN 68 3HB ASN 68 -11.678 -4.318 1.496 509 HD21 ASN 68 1HD2 ASN 68 -10.309 -6.703 3.830 510 HD22 ASN 68 2HD2 ASN 68 -11.197 -6.017 5.183 511 HA PRO 69 HA PRO 69 -11.755 -7.023 -3.024 512 HB2 PRO 69 2HB PRO 69 -14.131 -8.072 -3.950 513 HB3 PRO 69 3HB PRO 69 -12.788 -9.055 -3.297 514 HG2 PRO 69 2HG PRO 69 -15.257 -8.072 -1.831 515 HG3 PRO 69 3HG PRO 69 -14.580 -9.733 -1.868 516 HD2 PRO 69 2HD PRO 69 -14.038 -8.073 0.188 517 HD3 PRO 69 3HD PRO 69 -12.752 -9.116 -0.487 518 H GLU 70 H GLU 70 -14.454 -5.510 -1.305 519 HA GLU 70 HA GLU 70 -15.501 -3.870 -3.406 520 HB2 GLU 70 2HB GLU 70 -15.305 -3.279 -0.417 521 HB3 GLU 70 3HB GLU 70 -16.309 -2.447 -1.595 522 HG2 GLU 70 2HG GLU 70 -17.797 -3.862 -0.524 523 HG3 GLU 70 3HG GLU 70 -17.474 -4.654 -2.062 524 H THR 71 H THR 71 -12.849 -3.269 -1.029 525 HA THR 71 HA THR 71 -12.191 -0.658 -2.071 526 HB THR 71 HB THR 71 -10.213 -2.303 -0.574 527 HG1 THR 71 HG1 THR 71 -12.624 -1.197 0.391 528 HG21 THR 71 3HG2 THR 71 -9.711 -0.197 0.485 529 HG22 THR 71 1HG2 THR 71 -11.115 0.593 -0.264 530 HG23 THR 71 2HG2 THR 71 -9.741 0.089 -1.262 531 H ALA 72 H ALA 72 -11.084 -3.947 -2.804 532 HA ALA 72 HA ALA 72 -8.870 -3.255 -4.473 533 HB1 ALA 72 3HB ALA 72 -10.653 -5.710 -4.672 534 HB2 ALA 72 1HB ALA 72 -8.968 -5.546 -5.194 535 HB3 ALA 72 2HB ALA 72 -9.370 -5.506 -3.464 536 H ARG 73 H ARG 73 -12.325 -3.856 -5.324 537 HA ARG 73 HA ARG 73 -11.822 -3.174 -8.115 538 HB2 ARG 73 2HB ARG 73 -14.093 -3.616 -8.544 539 HB3 ARG 73 3HB ARG 73 -13.510 -4.841 -7.420 540 HG2 ARG 73 2HG ARG 73 -14.583 -3.544 -5.545 541 HG3 ARG 73 3HG ARG 73 -15.266 -2.434 -6.734 542 HD2 ARG 73 2HD ARG 73 -15.766 -5.439 -6.587 543 HD3 ARG 73 3HD ARG 73 -16.864 -4.206 -5.983 544 HE ARG 73 HE ARG 73 -16.437 -5.010 -8.769 545 HH11 ARG 73 1HH1 ARG 73 -17.789 -2.451 -6.781 546 HH12 ARG 73 2HH1 ARG 73 -18.790 -1.860 -8.078 547 HH21 ARG 73 1HH2 ARG 73 -17.735 -4.197 -10.366 548 HH22 ARG 73 2HH2 ARG 73 -18.757 -2.827 -10.047 549 H ASN 74 H ASN 74 -12.890 -1.259 -5.353 550 HA ASN 74 HA ASN 74 -14.094 0.890 -6.654 551 HB2 ASN 74 2HB ASN 74 -14.026 0.566 -4.210 552 HB3 ASN 74 3HB ASN 74 -12.300 0.940 -4.182 553 HD21 ASN 74 1HD2 ASN 74 -11.679 3.168 -4.161 554 HD22 ASN 74 2HD2 ASN 74 -12.879 4.442 -4.220 555 H PHE 75 H PHE 75 -10.580 0.476 -6.104 556 HA PHE 75 HA PHE 75 -10.005 2.814 -7.861 557 HB2 PHE 75 2HB PHE 75 -8.101 1.233 -6.119 558 HB3 PHE 75 3HB PHE 75 -7.772 2.743 -6.945 559 HD1 PHE 75 HD2 PHE 75 -9.128 4.838 -6.253 560 HD2 PHE 75 HD1 PHE 75 -8.962 1.226 -3.900 561 HE1 PHE 75 HE2 PHE 75 -9.854 6.109 -4.243 562 HE2 PHE 75 HE1 PHE 75 -9.694 2.499 -1.898 563 HZ PHE 75 HZ PHE 75 -10.139 4.940 -2.066 564 H GLN 76 H GLN 76 -10.761 -0.177 -8.633 565 HA GLN 76 HA GLN 76 -9.951 -1.965 -9.739 566 HB2 GLN 76 2HB GLN 76 -9.516 -1.665 -12.060 567 HB3 GLN 76 3HB GLN 76 -10.891 -0.711 -11.501 568 HG2 GLN 76 2HG GLN 76 -9.584 1.314 -11.507 569 HG3 GLN 76 3HG GLN 76 -8.107 0.410 -11.843 570 HE21 GLN 76 1HE2 GLN 76 -7.957 -0.695 -14.024 571 HE22 GLN 76 2HE2 GLN 76 -8.860 0.010 -15.358 572 H VAL 77 H VAL 77 -8.339 -1.679 -7.812 573 HA VAL 77 HA VAL 77 -5.561 -2.222 -8.766 574 HB VAL 77 HB VAL 77 -4.953 -2.007 -6.354 575 HG11 VAL 77 1HG1 VAL 77 -4.599 -0.153 -7.911 576 HG12 VAL 77 2HG1 VAL 77 -6.235 0.457 -7.581 577 HG13 VAL 77 3HG1 VAL 77 -5.021 0.419 -6.293 578 HG21 VAL 77 3HG2 VAL 77 -7.832 -1.011 -6.061 579 HG22 VAL 77 1HG2 VAL 77 -7.056 -2.376 -5.235 580 HG23 VAL 77 2HG2 VAL 77 -6.546 -0.715 -4.908 581 H VAL 78 H VAL 78 -7.627 -3.920 -9.359 582 HA VAL 78 HA VAL 78 -7.915 -6.059 -7.438 583 HB VAL 78 HB VAL 78 -9.695 -5.239 -8.936 584 HG11 VAL 78 1HG1 VAL 78 -8.221 -6.669 -11.189 585 HG12 VAL 78 2HG1 VAL 78 -9.829 -5.929 -11.270 586 HG13 VAL 78 3HG1 VAL 78 -8.407 -4.908 -11.037 587 HG21 VAL 78 3HG2 VAL 78 -9.099 -8.189 -9.350 588 HG22 VAL 78 1HG2 VAL 78 -9.832 -7.472 -7.896 589 HG23 VAL 78 2HG2 VAL 78 -10.678 -7.386 -9.449 590 H SER 79 H SER 79 -5.774 -5.486 -10.146 591 HA SER 79 HA SER 79 -4.530 -8.148 -10.101 592 HB2 SER 79 2HB SER 79 -3.524 -5.489 -11.191 593 HB3 SER 79 3HB SER 79 -2.753 -7.071 -11.423 594 HG SER 79 HG SER 79 -4.092 -6.487 -13.204 595 H ILE 80 H ILE 80 -2.595 -8.672 -9.025 596 HA ILE 80 HA ILE 80 -1.709 -6.828 -6.896 597 HB ILE 80 HB ILE 80 -1.930 -8.584 -5.208 598 HG12 ILE 80 2HG1 ILE 80 -1.827 -10.623 -6.472 599 HG13 ILE 80 3HG1 ILE 80 -3.195 -10.565 -5.385 600 HG21 ILE 80 1HG2 ILE 80 -4.262 -8.387 -4.774 601 HG22 ILE 80 2HG2 ILE 80 -3.668 -6.872 -5.470 602 HG23 ILE 80 3HG2 ILE 80 -4.612 -7.988 -6.467 603 HD11 ILE 80 3HD1 ILE 80 -4.711 -10.121 -7.330 604 HD12 ILE 80 1HD1 ILE 80 -3.307 -10.297 -8.418 605 HD13 ILE 80 2HD1 ILE 80 -3.830 -11.654 -7.438 606 HA PRO 81 HA PRO 81 -0.334 -6.958 -5.003 607 HB2 PRO 81 2HB PRO 81 2.142 -5.944 -4.500 608 HB3 PRO 81 3HB PRO 81 1.642 -7.566 -3.956 609 HG2 PRO 81 2HG PRO 81 3.238 -6.829 -6.425 610 HG3 PRO 81 3HG PRO 81 3.593 -8.113 -5.232 611 HD2 PRO 81 2HD PRO 81 2.341 -8.639 -7.604 612 HD3 PRO 81 3HD PRO 81 1.916 -9.519 -6.109 613 H THR 82 H THR 82 -0.888 -4.814 -5.060 614 HA THR 82 HA THR 82 0.431 -3.005 -7.032 615 HB THR 82 HB THR 82 -2.571 -3.183 -6.600 616 HG1 THR 82 HG1 THR 82 -2.310 -4.447 -8.230 617 HG21 THR 82 3HG2 THR 82 -2.628 -1.394 -8.375 618 HG22 THR 82 1HG2 THR 82 -0.876 -1.188 -8.170 619 HG23 THR 82 2HG2 THR 82 -1.988 -0.821 -6.828 620 H LEU 83 H LEU 83 1.286 -1.334 -6.019 621 HA LEU 83 HA LEU 83 0.214 -0.444 -3.383 622 HB2 LEU 83 2HB LEU 83 2.880 0.054 -4.742 623 HB3 LEU 83 3HB LEU 83 2.300 0.964 -3.358 624 HG LEU 83 HG LEU 83 2.183 -1.150 -2.022 625 HD11 LEU 83 1HD1 LEU 83 3.623 -3.064 -2.821 626 HD12 LEU 83 2HD1 LEU 83 3.629 -2.330 -4.440 627 HD13 LEU 83 3HD1 LEU 83 2.113 -2.907 -3.702 628 HD21 LEU 83 3HD2 LEU 83 4.623 -1.248 -1.671 629 HD22 LEU 83 1HD2 LEU 83 4.085 0.421 -1.895 630 HD23 LEU 83 2HD2 LEU 83 4.888 -0.440 -3.229 631 H ILE 84 H ILE 84 -0.806 1.454 -3.221 632 HA ILE 84 HA ILE 84 -0.617 3.443 -5.455 633 HB ILE 84 HB ILE 84 -2.935 2.908 -3.568 634 HG12 ILE 84 2HG1 ILE 84 -2.829 1.444 -5.592 635 HG13 ILE 84 3HG1 ILE 84 -4.262 2.466 -5.511 636 HG21 ILE 84 1HG2 ILE 84 -2.510 5.272 -5.448 637 HG22 ILE 84 2HG2 ILE 84 -4.093 4.803 -4.786 638 HG23 ILE 84 3HG2 ILE 84 -2.801 5.302 -3.703 639 HD11 ILE 84 3HD1 ILE 84 -3.347 3.996 -7.181 640 HD12 ILE 84 1HD1 ILE 84 -1.809 3.121 -7.183 641 HD13 ILE 84 2HD1 ILE 84 -3.281 2.331 -7.792 642 H LEU 85 H LEU 85 0.141 5.381 -4.962 643 HA LEU 85 HA LEU 85 0.464 6.083 -2.095 644 HB2 LEU 85 2HB LEU 85 2.463 6.402 -3.593 645 HB3 LEU 85 3HB LEU 85 1.504 7.536 -4.544 646 HG LEU 85 HG LEU 85 1.211 8.924 -2.407 647 HD11 LEU 85 1HD1 LEU 85 2.894 8.630 -0.642 648 HD12 LEU 85 2HD1 LEU 85 3.493 7.158 -1.429 649 HD13 LEU 85 3HD1 LEU 85 1.855 7.204 -0.739 650 HD21 LEU 85 3HD2 LEU 85 3.427 9.949 -2.615 651 HD22 LEU 85 1HD2 LEU 85 2.773 9.535 -4.207 652 HD23 LEU 85 2HD2 LEU 85 4.024 8.504 -3.472 653 H PHE 86 H PHE 86 -1.163 7.064 -1.183 654 HA PHE 86 HA PHE 86 -2.840 9.014 -2.690 655 HB2 PHE 86 2HB PHE 86 -3.189 7.774 0.062 656 HB3 PHE 86 3HB PHE 86 -4.216 9.023 -0.616 657 HD1 PHE 86 HD2 PHE 86 -3.270 5.451 -0.814 658 HD2 PHE 86 HD1 PHE 86 -5.881 8.525 -2.335 659 HE1 PHE 86 HE2 PHE 86 -4.754 3.714 -1.794 660 HE2 PHE 86 HE1 PHE 86 -7.341 6.786 -3.338 661 HZ PHE 86 HZ PHE 86 -6.788 4.380 -3.059 662 H LYS 87 H LYS 87 -2.057 11.051 -2.629 663 HA LYS 87 HA LYS 87 -0.196 11.852 -0.425 664 HB2 LYS 87 2HB LYS 87 0.359 11.895 -2.988 665 HB3 LYS 87 3HB LYS 87 -0.584 13.393 -2.993 666 HG2 LYS 87 2HG LYS 87 0.933 14.341 -1.277 667 HG3 LYS 87 3HG LYS 87 1.806 12.794 -1.194 668 HD2 LYS 87 2HD LYS 87 2.391 13.005 -3.610 669 HD3 LYS 87 3HD LYS 87 1.655 14.610 -3.641 670 HE2 LYS 87 2HE LYS 87 3.965 13.766 -1.817 671 HE3 LYS 87 3HE LYS 87 4.177 14.549 -3.379 672 HZ1 LYS 87 3HZ LYS 87 2.942 16.472 -2.533 673 HZ2 LYS 87 1HZ LYS 87 4.239 16.178 -1.592 674 HZ3 LYS 87 2HZ LYS 87 2.749 15.768 -1.070 675 H ASP 88 H ASP 88 -1.229 12.775 1.196 676 HA ASP 88 HA ASP 88 -2.886 13.655 2.455 677 HB2 ASP 88 2HB ASP 88 -2.949 15.817 0.328 678 HB3 ASP 88 3HB ASP 88 -3.610 15.939 1.958 679 H GLY 89 H GLY 89 -3.784 11.539 1.117 680 HA2 GLY 89 2HA GLY 89 -5.724 10.403 0.906 681 HA3 GLY 89 3HA GLY 89 -6.611 11.870 1.296 682 H GLN 90 H GLN 90 -4.650 12.132 -1.574 683 HA GLN 90 HA GLN 90 -6.820 11.055 -3.304 684 HB2 GLN 90 2HB GLN 90 -6.417 12.824 -4.956 685 HB3 GLN 90 3HB GLN 90 -7.107 13.415 -3.443 686 HG2 GLN 90 2HG GLN 90 -4.913 14.265 -2.727 687 HG3 GLN 90 3HG GLN 90 -4.153 13.623 -4.187 688 HE21 GLN 90 1HE2 GLN 90 -3.626 16.174 -3.867 689 HE22 GLN 90 2HE2 GLN 90 -4.646 17.189 -4.881 690 HA PRO 91 HA PRO 91 -3.516 8.586 -4.783 691 HB2 PRO 91 2HB PRO 91 -4.429 7.647 -7.178 692 HB3 PRO 91 3HB PRO 91 -5.097 7.153 -5.592 693 HG2 PRO 91 2HG PRO 91 -6.166 9.278 -7.477 694 HG3 PRO 91 3HG PRO 91 -7.070 7.956 -6.672 695 HD2 PRO 91 2HD PRO 91 -7.018 10.481 -5.659 696 HD3 PRO 91 3HD PRO 91 -6.994 9.052 -4.583 697 H VAL 92 H VAL 92 -1.620 8.865 -5.760 698 HA VAL 92 HA VAL 92 -1.296 10.854 -7.997 699 HB VAL 92 HB VAL 92 0.335 10.560 -5.451 700 HG11 VAL 92 1HG1 VAL 92 0.938 12.293 -7.885 701 HG12 VAL 92 2HG1 VAL 92 1.729 12.438 -6.300 702 HG13 VAL 92 3HG1 VAL 92 1.948 10.973 -7.248 703 HG21 VAL 92 3HG2 VAL 92 -1.307 12.834 -6.662 704 HG22 VAL 92 1HG2 VAL 92 -1.655 11.945 -5.164 705 HG23 VAL 92 2HG2 VAL 92 -0.249 13.013 -5.255 706 H LYS 93 H LYS 93 -0.084 7.816 -6.572 707 HA LYS 93 HA LYS 93 1.265 7.217 -9.157 708 HB2 LYS 93 2HB LYS 93 2.936 8.233 -7.590 709 HB3 LYS 93 3HB LYS 93 2.648 6.910 -6.453 710 HG2 LYS 93 2HG LYS 93 3.434 5.268 -8.120 711 HG3 LYS 93 3HG LYS 93 3.657 6.555 -9.310 712 HD2 LYS 93 2HD LYS 93 5.193 6.223 -6.692 713 HD3 LYS 93 3HD LYS 93 5.766 5.819 -8.316 714 HE2 LYS 93 2HE LYS 93 5.320 8.305 -8.909 715 HE3 LYS 93 3HE LYS 93 5.183 8.575 -7.167 716 HZ1 LYS 93 3HZ LYS 93 7.476 7.602 -6.976 717 HZ2 LYS 93 1HZ LYS 93 7.440 8.982 -7.883 718 HZ3 LYS 93 2HZ LYS 93 7.555 7.521 -8.605 719 H ARG 94 H ARG 94 1.358 5.122 -9.712 720 HA ARG 94 HA ARG 94 0.324 3.000 -7.888 721 HB2 ARG 94 2HB ARG 94 -1.362 3.584 -9.631 722 HB3 ARG 94 3HB ARG 94 -0.176 3.222 -10.889 723 HG2 ARG 94 2HG ARG 94 -0.050 0.860 -10.075 724 HG3 ARG 94 3HG ARG 94 -1.258 1.225 -8.842 725 HD2 ARG 94 2HD ARG 94 -1.680 1.430 -11.858 726 HD3 ARG 94 3HD ARG 94 -2.135 0.051 -10.857 727 HE ARG 94 HE ARG 94 -3.253 2.795 -10.376 728 HH11 ARG 94 1HH1 ARG 94 -3.958 -0.561 -11.079 729 HH12 ARG 94 2HH1 ARG 94 -5.655 -0.381 -10.732 730 HH21 ARG 94 1HH2 ARG 94 -5.386 2.972 -9.924 731 HH22 ARG 94 2HH2 ARG 94 -6.429 1.587 -9.981 732 H ILE 95 H ILE 95 1.552 1.261 -7.695 733 HA ILE 95 HA ILE 95 3.681 0.621 -9.699 734 HB ILE 95 HB ILE 95 3.972 0.403 -6.674 735 HG12 ILE 95 2HG1 ILE 95 5.418 2.306 -8.571 736 HG13 ILE 95 3HG1 ILE 95 4.142 2.772 -7.447 737 HG21 ILE 95 1HG2 ILE 95 5.128 -1.410 -7.919 738 HG22 ILE 95 2HG2 ILE 95 5.961 -0.186 -8.908 739 HG23 ILE 95 3HG2 ILE 95 6.280 -0.328 -7.166 740 HD11 ILE 95 3HD1 ILE 95 6.896 1.770 -6.674 741 HD12 ILE 95 1HD1 ILE 95 6.214 3.384 -6.456 742 HD13 ILE 95 2HD1 ILE 95 5.554 2.022 -5.530 743 H VAL 96 H VAL 96 3.496 -1.524 -10.379 744 HA VAL 96 HA VAL 96 1.956 -3.420 -8.692 745 HB VAL 96 HB VAL 96 0.260 -2.694 -10.095 746 HG11 VAL 96 1HG1 VAL 96 2.096 -3.103 -12.500 747 HG12 VAL 96 2HG1 VAL 96 0.369 -2.695 -12.579 748 HG13 VAL 96 3HG1 VAL 96 1.505 -1.544 -11.878 749 HG21 VAL 96 3HG2 VAL 96 -0.425 -4.615 -11.362 750 HG22 VAL 96 1HG2 VAL 96 1.226 -5.255 -11.409 751 HG23 VAL 96 2HG2 VAL 96 0.340 -5.145 -9.866 752 H GLY 97 H GLY 97 2.459 -5.505 -8.787 753 HA2 GLY 97 2HA GLY 97 3.765 -7.415 -9.261 754 HA3 GLY 97 3HA GLY 97 4.784 -6.490 -10.362 755 H ALA 98 H ALA 98 5.800 -8.233 -8.376 756 HA ALA 98 HA ALA 98 6.563 -6.788 -5.985 757 HB1 ALA 98 3HB ALA 98 7.974 -8.771 -5.555 758 HB2 ALA 98 1HB ALA 98 6.325 -9.224 -6.013 759 HB3 ALA 98 2HB ALA 98 7.644 -9.370 -7.196 760 H LYS 99 H LYS 99 8.383 -5.720 -5.486 761 HA LYS 99 HA LYS 99 10.646 -5.507 -7.412 762 HB2 LYS 99 2HB LYS 99 9.215 -3.167 -6.066 763 HB3 LYS 99 3HB LYS 99 10.762 -3.063 -6.911 764 HG2 LYS 99 2HG LYS 99 9.617 -4.005 -8.973 765 HG3 LYS 99 3HG LYS 99 8.072 -3.811 -8.123 766 HD2 LYS 99 2HD LYS 99 8.499 -1.368 -7.919 767 HD3 LYS 99 3HD LYS 99 10.052 -1.582 -8.759 768 HE2 LYS 99 2HE LYS 99 8.792 -2.595 -10.701 769 HE3 LYS 99 3HE LYS 99 7.276 -2.182 -9.885 770 HZ1 LYS 99 3HZ LYS 99 8.010 0.185 -9.962 771 HZ2 LYS 99 1HZ LYS 99 7.956 -0.449 -11.490 772 HZ3 LYS 99 2HZ LYS 99 9.367 -0.208 -10.667 773 H GLY 100 H GLY 100 12.676 -4.866 -6.447 774 HA2 GLY 100 2HA GLY 100 13.069 -5.935 -3.746 775 HA3 GLY 100 3HA GLY 100 14.306 -5.350 -4.862 776 H LYS 101 H LYS 101 14.278 -4.694 -2.186 777 HA LYS 101 HA LYS 101 13.074 -2.299 -1.385 778 HB2 LYS 101 2HB LYS 101 14.782 -4.126 -0.268 779 HB3 LYS 101 3HB LYS 101 15.895 -2.792 -0.484 780 HG2 LYS 101 2HG LYS 101 13.258 -2.770 1.063 781 HG3 LYS 101 3HG LYS 101 14.885 -2.895 1.730 782 HD2 LYS 101 2HD LYS 101 15.362 -0.590 0.680 783 HD3 LYS 101 3HD LYS 101 13.623 -0.497 0.351 784 HE2 LYS 101 2HE LYS 101 14.088 0.681 2.383 785 HE3 LYS 101 3HE LYS 101 13.134 -0.757 2.762 786 HZ1 LYS 101 3HZ LYS 101 15.099 -1.832 3.611 787 HZ2 LYS 101 1HZ LYS 101 15.069 -0.335 4.268 788 HZ3 LYS 101 2HZ LYS 101 16.094 -0.645 3.038 789 H ALA 102 H ALA 102 15.888 -2.609 -3.479 790 HA ALA 102 HA ALA 102 16.644 0.208 -3.284 791 HB1 ALA 102 3HB ALA 102 18.227 -0.371 -5.063 792 HB2 ALA 102 1HB ALA 102 18.258 -1.602 -3.792 793 HB3 ALA 102 2HB ALA 102 17.414 -1.930 -5.323 794 H ALA 103 H ALA 103 14.642 -1.714 -5.502 795 HA ALA 103 HA ALA 103 14.174 0.441 -7.399 796 HB1 ALA 103 3HB ALA 103 14.158 -1.871 -8.121 797 HB2 ALA 103 1HB ALA 103 12.863 -2.266 -6.974 798 HB3 ALA 103 2HB ALA 103 12.542 -1.172 -8.342 799 H LEU 104 H LEU 104 12.209 -1.083 -4.718 800 HA LEU 104 HA LEU 104 10.087 0.803 -5.063 801 HB2 LEU 104 2HB LEU 104 9.800 -1.355 -3.870 802 HB3 LEU 104 3HB LEU 104 10.809 -0.749 -2.550 803 HG LEU 104 HG LEU 104 9.173 1.072 -2.132 804 HD11 LEU 104 1HD1 LEU 104 6.909 0.970 -3.167 805 HD12 LEU 104 2HD1 LEU 104 7.496 -0.272 -4.295 806 HD13 LEU 104 3HD1 LEU 104 8.149 1.385 -4.337 807 HD21 LEU 104 3HD2 LEU 104 7.330 -0.295 -1.239 808 HD22 LEU 104 1HD2 LEU 104 8.915 -0.976 -0.875 809 HD23 LEU 104 2HD2 LEU 104 7.917 -1.691 -2.171 810 H LEU 105 H LEU 105 12.983 0.922 -2.796 811 HA LEU 105 HA LEU 105 12.063 3.474 -1.871 812 HB2 LEU 105 2HB LEU 105 13.530 2.107 -0.475 813 HB3 LEU 105 3HB LEU 105 14.867 2.410 -1.588 814 HG LEU 105 HG LEU 105 14.793 4.838 -1.075 815 HD11 LEU 105 1HD1 LEU 105 13.419 5.703 0.801 816 HD12 LEU 105 2HD1 LEU 105 12.563 4.150 0.901 817 HD13 LEU 105 3HD1 LEU 105 12.391 5.192 -0.531 818 HD21 LEU 105 3HD2 LEU 105 14.787 3.156 1.445 819 HD22 LEU 105 1HD2 LEU 105 15.578 4.730 1.187 820 HD23 LEU 105 2HD2 LEU 105 16.142 3.315 0.296 821 H ARG 106 H ARG 106 14.142 2.802 -4.821 822 HA ARG 106 HA ARG 106 14.599 5.683 -5.013 823 HB2 ARG 106 2HB ARG 106 15.401 5.410 -7.187 824 HB3 ARG 106 3HB ARG 106 16.013 4.106 -6.178 825 HG2 ARG 106 2HG ARG 106 14.190 2.634 -7.178 826 HG3 ARG 106 3HG ARG 106 13.819 3.953 -8.294 827 HD2 ARG 106 2HD ARG 106 15.255 2.363 -9.400 828 HD3 ARG 106 3HD ARG 106 16.169 3.859 -9.120 829 HE ARG 106 HE ARG 106 16.536 2.020 -6.929 830 HH11 ARG 106 2HH2 ARG 106 17.556 2.363 -10.268 831 HH12 ARG 106 1HH2 ARG 106 19.086 1.579 -9.983 832 HH21 ARG 106 1HH1 ARG 106 18.558 1.126 -6.619 833 HH22 ARG 106 2HH1 ARG 106 19.615 0.865 -7.974 834 H GLU 107 H GLU 107 12.030 3.594 -6.328 835 HA GLU 107 HA GLU 107 10.598 5.710 -7.646 836 HB2 GLU 107 2HB GLU 107 9.751 2.969 -6.647 837 HB3 GLU 107 3HB GLU 107 8.678 4.061 -7.539 838 HG2 GLU 107 2HG GLU 107 10.182 4.122 -9.447 839 HG3 GLU 107 3HG GLU 107 11.403 3.186 -8.593 840 H LEU 108 H LEU 108 10.632 4.760 -4.265 841 HA LEU 108 HA LEU 108 8.590 6.808 -3.597 842 HB2 LEU 108 2HB LEU 108 10.222 4.942 -1.847 843 HB3 LEU 108 3HB LEU 108 8.972 6.044 -1.274 844 HG LEU 108 HG LEU 108 8.512 3.715 -3.181 845 HD11 LEU 108 1HD1 LEU 108 9.097 3.048 -0.880 846 HD12 LEU 108 2HD1 LEU 108 7.394 2.699 -1.222 847 HD13 LEU 108 3HD1 LEU 108 7.841 4.124 -0.247 848 HD21 LEU 108 3HD2 LEU 108 6.857 5.440 -3.625 849 HD22 LEU 108 1HD2 LEU 108 6.528 5.617 -1.885 850 HD23 LEU 108 2HD2 LEU 108 6.116 4.108 -2.743 851 H SER 109 H SER 109 12.125 6.511 -3.539 852 HA SER 109 HA SER 109 12.775 8.716 -1.914 853 HB2 SER 109 2HB SER 109 14.248 7.670 -4.322 854 HB3 SER 109 3HB SER 109 14.804 9.040 -3.359 855 HG SER 109 HG SER 109 14.269 6.433 -2.434 856 H ASP 110 H ASP 110 11.638 8.474 -5.266 857 HA ASP 110 HA ASP 110 11.773 11.125 -6.229 858 HB2 ASP 110 2HB ASP 110 10.996 9.123 -7.452 859 HB3 ASP 110 3HB ASP 110 9.553 9.066 -6.440 860 H VAL 111 H VAL 111 9.781 9.978 -3.551 861 HA VAL 111 HA VAL 111 8.368 12.603 -3.286 862 HB VAL 111 HB VAL 111 7.622 9.781 -2.407 863 HG11 VAL 111 1HG1 VAL 111 5.514 10.788 -1.562 864 HG12 VAL 111 2HG1 VAL 111 6.919 11.309 -0.636 865 HG13 VAL 111 3HG1 VAL 111 6.195 12.411 -1.833 866 HG21 VAL 111 3HG2 VAL 111 5.658 10.160 -3.867 867 HG22 VAL 111 1HG2 VAL 111 6.296 11.750 -4.326 868 HG23 VAL 111 2HG2 VAL 111 7.158 10.265 -4.783 869 H VAL 112 H VAL 112 9.880 9.957 -1.466 870 HA VAL 112 HA VAL 112 10.215 11.411 1.069 871 HB VAL 112 HB VAL 112 11.287 8.703 0.210 872 HG11 VAL 112 1HG1 VAL 112 12.300 9.597 2.277 873 HG12 VAL 112 2HG1 VAL 112 10.687 9.888 2.959 874 HG13 VAL 112 3HG1 VAL 112 11.244 8.234 2.619 875 HG21 VAL 112 3HG2 VAL 112 8.639 9.345 1.573 876 HG22 VAL 112 1HG2 VAL 112 8.836 8.631 -0.038 877 HG23 VAL 112 2HG2 VAL 112 9.341 7.724 1.383 878 HA PRO 113 HA PRO 113 14.086 12.990 -0.603 879 HB2 PRO 113 2HB PRO 113 14.869 14.620 1.483 880 HB3 PRO 113 3HB PRO 113 13.570 15.066 0.334 881 HG2 PRO 113 2HG PRO 113 13.270 13.776 3.070 882 HG3 PRO 113 3HG PRO 113 12.414 15.217 2.431 883 HD2 PRO 113 2HD PRO 113 11.297 12.743 2.366 884 HD3 PRO 113 3HD PRO 113 11.057 13.893 1.014 885 H ASN 114 H ASN 114 13.491 10.948 1.917 886 HA ASN 114 HA ASN 114 14.483 9.195 2.789 887 HB2 ASN 114 2HB ASN 114 14.994 8.862 0.361 888 HB3 ASN 114 3HB ASN 114 16.616 9.500 0.658 889 HD21 ASN 114 1HD2 ASN 114 17.939 7.632 0.537 890 HD22 ASN 114 2HD2 ASN 114 17.675 6.263 1.630 891 H LEU 115 H LEU 115 15.996 8.219 4.050 892 HA LEU 115 HA LEU 115 17.735 10.175 5.558 893 HB2 LEU 115 2HB LEU 115 16.123 7.874 6.685 894 HB3 LEU 115 3HB LEU 115 17.056 9.041 7.600 895 HG LEU 115 HG LEU 115 14.566 9.703 5.957 896 HD11 LEU 115 1HD1 LEU 115 13.467 9.966 8.130 897 HD12 LEU 115 2HD1 LEU 115 14.953 9.460 8.966 898 HD13 LEU 115 3HD1 LEU 115 14.071 8.316 7.932 899 HD21 LEU 115 3HD2 LEU 115 16.182 11.406 7.909 900 HD22 LEU 115 1HD2 LEU 115 14.635 11.865 7.161 901 HD23 LEU 115 2HD2 LEU 115 16.070 11.655 6.152 902 H ASN 116 H ASN 116 17.591 6.836 4.382 903 HA ASN 116 HA ASN 116 20.453 6.479 4.670 904 HB2 ASN 116 2HB ASN 116 20.415 4.553 6.144 905 HB3 ASN 116 3HB ASN 116 19.688 5.909 6.978 906 HD21 ASN 116 2HD2 ASN 116 19.104 2.689 5.681 907 HD22 ASN 116 1HD2 ASN 116 17.513 2.529 6.441 Start of MODEL 9 1 H1 MET 1 1H MET 1 23.216 -2.548 23.005 2 H2 MET 1 2H MET 1 23.107 -1.502 21.738 3 HA MET 1 HA MET 1 21.815 -1.139 24.348 4 HB2 MET 1 2HB MET 1 23.368 0.618 24.864 5 HB3 MET 1 3HB MET 1 24.250 -0.874 24.567 6 HG2 MET 1 2HG MET 1 24.833 -0.074 22.286 7 HG3 MET 1 3HG MET 1 23.970 1.434 22.590 8 HE1 MET 1 3HE MET 1 24.789 3.385 24.046 9 HE2 MET 1 1HE MET 1 24.761 2.368 25.507 10 HE3 MET 1 2HE MET 1 26.202 3.328 25.121 11 H THR 2 H THR 2 20.702 0.849 24.661 12 HA THR 2 HA THR 2 19.066 2.289 24.072 13 HB THR 2 HB THR 2 20.783 3.297 21.804 14 HG1 THR 2 HG1 THR 2 21.955 4.424 23.365 15 HG21 THR 2 3HG2 THR 2 20.048 5.497 22.665 16 HG22 THR 2 1HG2 THR 2 19.146 4.703 23.976 17 HG23 THR 2 2HG2 THR 2 18.639 4.504 22.287 18 H ASP 3 H ASP 3 18.575 -0.217 23.107 19 HA ASP 3 HA ASP 3 17.789 -0.195 20.305 20 HB2 ASP 3 2HB ASP 3 17.376 -2.235 22.522 21 HB3 ASP 3 3HB ASP 3 16.990 -2.495 20.823 22 H SER 4 H SER 4 15.665 -0.646 19.484 23 HA SER 4 HA SER 4 13.313 -0.134 21.169 24 HB2 SER 4 2HB SER 4 12.470 1.614 19.630 25 HB3 SER 4 3HB SER 4 13.922 2.114 20.507 26 HG SER 4 HG SER 4 14.125 2.691 18.356 27 H GLU 5 H GLU 5 11.449 -1.072 20.384 28 HA GLU 5 HA GLU 5 11.731 -3.091 18.291 29 HB2 GLU 5 2HB GLU 5 9.326 -2.176 19.914 30 HB3 GLU 5 3HB GLU 5 9.342 -3.551 18.809 31 HG2 GLU 5 2HG GLU 5 11.122 -4.585 20.140 32 HG3 GLU 5 3HG GLU 5 11.022 -3.254 21.289 33 H LYS 6 H LYS 6 10.371 0.108 18.484 34 HA LYS 6 HA LYS 6 9.150 1.425 17.000 35 HB2 LYS 6 2HB LYS 6 10.702 2.166 15.225 36 HB3 LYS 6 3HB LYS 6 11.402 2.051 16.834 37 HG2 LYS 6 2HG LYS 6 12.476 -0.089 16.248 38 HG3 LYS 6 3HG LYS 6 11.812 -0.004 14.613 39 HD2 LYS 6 2HD LYS 6 13.128 1.905 14.066 40 HD3 LYS 6 3HD LYS 6 13.522 2.246 15.754 41 HE2 LYS 6 2HE LYS 6 14.466 -0.223 14.229 42 HE3 LYS 6 3HE LYS 6 15.410 1.255 14.450 43 HZ1 LYS 6 3HZ LYS 6 16.035 -0.291 16.156 44 HZ2 LYS 6 1HZ LYS 6 14.487 -0.548 16.632 45 HZ3 LYS 6 2HZ LYS 6 15.167 0.893 16.900 46 H SER 7 H SER 7 7.751 -0.825 16.794 47 HA SER 7 HA SER 7 7.517 -2.023 14.280 48 HB2 SER 7 2HB SER 7 5.253 -1.518 16.247 49 HB3 SER 7 3HB SER 7 5.296 -2.751 14.976 50 HG SER 7 HG SER 7 5.887 -3.607 17.035 51 H ALA 8 H ALA 8 6.210 -1.827 12.528 52 HA ALA 8 HA ALA 8 4.614 0.639 12.119 53 HB1 ALA 8 3HB ALA 8 6.808 -0.357 10.255 54 HB2 ALA 8 1HB ALA 8 5.801 1.102 10.054 55 HB3 ALA 8 2HB ALA 8 6.965 1.015 11.375 56 H THR 9 H THR 9 3.744 0.510 9.817 57 HA THR 9 HA THR 9 2.263 -0.208 8.339 58 HB THR 9 HB THR 9 1.776 -2.403 7.657 59 HG1 THR 9 HG1 THR 9 3.173 -3.164 9.967 60 HG21 THR 9 3HG2 THR 9 3.863 -1.508 6.795 61 HG22 THR 9 1HG2 THR 9 3.962 -3.261 7.002 62 HG23 THR 9 2HG2 THR 9 4.762 -2.195 8.176 63 H ILE 10 H ILE 10 0.106 -0.585 8.101 64 HA ILE 10 HA ILE 10 -1.498 -1.471 10.434 65 HB ILE 10 HB ILE 10 -3.141 0.296 10.067 66 HG12 ILE 10 2HG1 ILE 10 -1.137 1.612 8.182 67 HG13 ILE 10 3HG1 ILE 10 -2.630 0.811 7.687 68 HG21 ILE 10 1HG2 ILE 10 -1.995 2.056 11.245 69 HG22 ILE 10 2HG2 ILE 10 -1.326 0.513 11.778 70 HG23 ILE 10 3HG2 ILE 10 -0.416 1.522 10.633 71 HD11 ILE 10 3HD1 ILE 10 -3.947 2.455 9.017 72 HD12 ILE 10 1HD1 ILE 10 -2.435 3.332 9.369 73 HD13 ILE 10 2HD1 ILE 10 -3.004 3.181 7.701 74 H LYS 11 H LYS 11 -3.649 -2.215 9.852 75 HA LYS 11 HA LYS 11 -3.938 -2.996 6.966 76 HB2 LYS 11 2HB LYS 11 -5.186 -4.327 9.394 77 HB3 LYS 11 3HB LYS 11 -5.445 -4.752 7.697 78 HG2 LYS 11 2HG LYS 11 -2.912 -5.147 7.523 79 HG3 LYS 11 3HG LYS 11 -2.840 -4.944 9.275 80 HD2 LYS 11 2HD LYS 11 -2.899 -7.287 8.855 81 HD3 LYS 11 3HD LYS 11 -4.495 -6.856 9.496 82 HE2 LYS 11 2HE LYS 11 -5.392 -6.783 7.166 83 HE3 LYS 11 3HE LYS 11 -3.791 -7.147 6.534 84 HZ1 LYS 11 3HZ LYS 11 -5.424 -8.964 8.218 85 HZ2 LYS 11 1HZ LYS 11 -3.912 -9.303 7.679 86 HZ3 LYS 11 2HZ LYS 11 -5.139 -9.108 6.606 87 H VAL 12 H VAL 12 -5.696 -2.426 5.856 88 HA VAL 12 HA VAL 12 -7.818 -0.803 7.195 89 HB VAL 12 HB VAL 12 -7.944 0.649 5.228 90 HG11 VAL 12 1HG1 VAL 12 -5.208 0.685 6.571 91 HG12 VAL 12 2HG1 VAL 12 -6.014 2.048 5.773 92 HG13 VAL 12 3HG1 VAL 12 -6.710 1.347 7.246 93 HG21 VAL 12 3HG2 VAL 12 -6.138 0.825 3.614 94 HG22 VAL 12 1HG2 VAL 12 -5.266 -0.521 4.368 95 HG23 VAL 12 2HG2 VAL 12 -6.812 -0.810 3.546 96 H THR 13 H THR 13 -9.860 -0.791 6.201 97 HA THR 13 HA THR 13 -10.467 -3.144 4.454 98 HB THR 13 HB THR 13 -12.351 -3.716 5.846 99 HG1 THR 13 HG1 THR 13 -11.539 -1.563 7.498 100 HG21 THR 13 3HG2 THR 13 -11.326 -4.536 7.862 101 HG22 THR 13 1HG2 THR 13 -9.973 -3.395 7.716 102 HG23 THR 13 2HG2 THR 13 -10.170 -4.703 6.527 103 H ASP 14 H ASP 14 -12.792 -3.052 3.627 104 HA ASP 14 HA ASP 14 -13.417 -0.600 2.349 105 HB2 ASP 14 2HB ASP 14 -14.229 -2.857 1.676 106 HB3 ASP 14 3HB ASP 14 -15.280 -2.899 3.079 107 H ALA 15 H ALA 15 -14.123 -1.586 5.636 108 HA ALA 15 HA ALA 15 -16.092 0.543 6.115 109 HB1 ALA 15 3HB ALA 15 -16.350 -1.690 7.126 110 HB2 ALA 15 1HB ALA 15 -14.805 -1.485 7.985 111 HB3 ALA 15 2HB ALA 15 -16.181 -0.429 8.361 112 H SER 16 H SER 16 -12.628 0.409 6.163 113 HA SER 16 HA SER 16 -12.483 2.776 7.999 114 HB2 SER 16 2HB SER 16 -10.507 1.819 9.030 115 HB3 SER 16 3HB SER 16 -11.909 0.758 9.219 116 HG SER 16 HG SER 16 -9.973 -0.340 8.620 117 H PHE 17 H PHE 17 -11.451 1.573 4.936 118 HA PHE 17 HA PHE 17 -8.930 2.658 4.581 119 HB2 PHE 17 2HB PHE 17 -10.249 1.209 3.018 120 HB3 PHE 17 3HB PHE 17 -11.205 2.602 2.553 121 HD1 PHE 17 HD1 PHE 17 -9.888 4.625 1.459 122 HD2 PHE 17 HD2 PHE 17 -8.316 0.627 1.867 123 HE1 PHE 17 HE1 PHE 17 -8.252 5.074 -0.350 124 HE2 PHE 17 HE2 PHE 17 -6.770 1.053 -0.017 125 HZ PHE 17 HZ PHE 17 -6.711 3.283 -1.110 126 H ALA 18 H ALA 18 -12.050 4.439 4.212 127 HA ALA 18 HA ALA 18 -10.805 6.824 3.286 128 HB1 ALA 18 3HB ALA 18 -12.985 7.871 3.741 129 HB2 ALA 18 1HB ALA 18 -13.175 6.307 2.928 130 HB3 ALA 18 2HB ALA 18 -13.487 6.446 4.678 131 H THR 19 H THR 19 -11.505 5.728 6.609 132 HA THR 19 HA THR 19 -10.814 8.281 7.828 133 HB THR 19 HB THR 19 -10.999 5.578 9.217 134 HG1 THR 19 HG1 THR 19 -13.214 5.990 9.408 135 HG21 THR 19 3HG2 THR 19 -11.683 8.417 10.113 136 HG22 THR 19 1HG2 THR 19 -10.331 7.424 10.697 137 HG23 THR 19 2HG2 THR 19 -11.988 6.945 11.064 138 H ASP 20 H ASP 20 -8.958 5.401 7.000 139 HA ASP 20 HA ASP 20 -6.611 6.403 8.544 140 HB2 ASP 20 2HB ASP 20 -7.239 3.815 7.128 141 HB3 ASP 20 3HB ASP 20 -5.600 4.233 7.627 142 H VAL 21 H VAL 21 -7.455 5.678 5.125 143 HA VAL 21 HA VAL 21 -4.815 6.619 4.238 144 HB VAL 21 HB VAL 21 -7.122 5.603 2.549 145 HG11 VAL 21 1HG1 VAL 21 -5.400 5.082 0.923 146 HG12 VAL 21 2HG1 VAL 21 -5.365 6.802 1.288 147 HG13 VAL 21 3HG1 VAL 21 -4.135 5.728 1.992 148 HG21 VAL 21 3HG2 VAL 21 -4.804 4.016 3.744 149 HG22 VAL 21 1HG2 VAL 21 -6.515 3.858 4.201 150 HG23 VAL 21 2HG2 VAL 21 -6.012 3.412 2.583 151 H LEU 22 H LEU 22 -8.231 7.523 3.586 152 HA LEU 22 HA LEU 22 -7.360 9.784 1.944 153 HB2 LEU 22 2HB LEU 22 -10.180 9.016 2.733 154 HB3 LEU 22 3HB LEU 22 -9.696 10.105 1.443 155 HG LEU 22 HG LEU 22 -9.148 7.109 1.532 156 HD11 LEU 22 1HD1 LEU 22 -10.766 6.973 -0.295 157 HD12 LEU 22 2HD1 LEU 22 -11.030 8.730 -0.221 158 HD13 LEU 22 3HD1 LEU 22 -11.518 7.696 1.137 159 HD21 LEU 22 3HD2 LEU 22 -8.433 7.363 -0.830 160 HD22 LEU 22 1HD2 LEU 22 -7.361 8.240 0.264 161 HD23 LEU 22 2HD2 LEU 22 -8.587 9.120 -0.681 162 H SER 23 H SER 23 -8.542 9.412 5.221 163 HA SER 23 HA SER 23 -8.984 12.238 5.685 164 HB2 SER 23 2HB SER 23 -8.760 9.943 7.605 165 HB3 SER 23 3HB SER 23 -9.207 11.599 8.047 166 HG SER 23 HG SER 23 -10.560 9.919 6.184 167 H SER 24 H SER 24 -6.049 10.449 5.472 168 HA SER 24 HA SER 24 -4.519 11.811 7.507 169 HB2 SER 24 2HB SER 24 -3.918 9.932 5.226 170 HB3 SER 24 3HB SER 24 -2.630 10.788 6.071 171 HG SER 24 HG SER 24 -4.271 8.746 6.988 172 H ASN 25 H ASN 25 -3.649 13.756 7.423 173 HA ASN 25 HA ASN 25 -3.530 15.427 5.055 174 HB2 ASN 25 2HB ASN 25 -3.848 16.301 7.337 175 HB3 ASN 25 3HB ASN 25 -2.277 15.671 7.831 176 HD21 ASN 25 1HD2 ASN 25 -0.403 16.902 7.350 177 HD22 ASN 25 2HD2 ASN 25 -0.508 18.451 6.531 178 H LYS 26 H LYS 26 -1.340 13.146 6.541 179 HA LYS 26 HA LYS 26 1.012 13.982 4.970 180 HB2 LYS 26 2HB LYS 26 2.212 12.280 6.182 181 HB3 LYS 26 3HB LYS 26 1.278 13.243 7.319 182 HG2 LYS 26 2HG LYS 26 -0.432 11.474 7.476 183 HG3 LYS 26 3HG LYS 26 0.405 10.503 6.264 184 HD2 LYS 26 2HD LYS 26 1.551 11.261 8.981 185 HD3 LYS 26 3HD LYS 26 0.780 9.725 8.568 186 HE2 LYS 26 2HE LYS 26 2.528 9.463 6.720 187 HE3 LYS 26 3HE LYS 26 3.379 10.847 7.435 188 HZ1 LYS 26 3HZ LYS 26 4.292 8.843 8.399 189 HZ2 LYS 26 1HZ LYS 26 2.800 8.236 8.711 190 HZ3 LYS 26 2HZ LYS 26 3.377 9.519 9.563 191 HA PRO 27 HA PRO 27 0.548 10.987 1.703 192 HB2 PRO 27 2HB PRO 27 3.375 10.114 2.256 193 HB3 PRO 27 3HB PRO 27 2.620 10.523 0.687 194 HG2 PRO 27 2HG PRO 27 4.237 12.312 1.919 195 HG3 PRO 27 3HG PRO 27 2.688 12.878 1.214 196 HD2 PRO 27 2HD PRO 27 3.276 12.182 4.107 197 HD3 PRO 27 3HD PRO 27 2.459 13.625 3.435 198 H VAL 28 H VAL 28 -0.076 8.880 1.416 199 HA VAL 28 HA VAL 28 0.589 6.848 3.480 200 HB VAL 28 HB VAL 28 -2.275 7.346 2.601 201 HG11 VAL 28 1HG1 VAL 28 -2.772 5.622 4.358 202 HG12 VAL 28 2HG1 VAL 28 -1.824 4.958 3.029 203 HG13 VAL 28 3HG1 VAL 28 -1.033 5.361 4.569 204 HG21 VAL 28 3HG2 VAL 28 -2.671 7.871 5.009 205 HG22 VAL 28 1HG2 VAL 28 -0.914 7.880 5.274 206 HG23 VAL 28 2HG2 VAL 28 -1.667 9.072 4.194 207 H LEU 29 H LEU 29 1.177 5.031 2.619 208 HA LEU 29 HA LEU 29 0.762 4.450 -0.272 209 HB2 LEU 29 2HB LEU 29 3.074 4.676 0.925 210 HB3 LEU 29 3HB LEU 29 2.692 3.146 1.679 211 HG LEU 29 HG LEU 29 3.083 3.712 -1.288 212 HD11 LEU 29 1HD1 LEU 29 4.604 1.974 0.701 213 HD12 LEU 29 2HD1 LEU 29 5.115 3.573 0.115 214 HD13 LEU 29 3HD1 LEU 29 5.000 2.209 -1.013 215 HD21 LEU 29 3HD2 LEU 29 1.419 1.971 -1.270 216 HD22 LEU 29 1HD2 LEU 29 2.239 1.115 0.066 217 HD23 LEU 29 2HD2 LEU 29 2.972 1.191 -1.546 218 H VAL 30 H VAL 30 -0.814 2.929 -0.707 219 HA VAL 30 HA VAL 30 -1.408 0.894 1.400 220 HB VAL 30 HB VAL 30 -3.373 1.563 -0.776 221 HG11 VAL 30 1HG1 VAL 30 -3.659 -0.606 0.339 222 HG12 VAL 30 2HG1 VAL 30 -3.513 0.158 1.939 223 HG13 VAL 30 3HG1 VAL 30 -4.908 0.493 0.913 224 HG21 VAL 30 3HG2 VAL 30 -3.286 2.752 2.023 225 HG22 VAL 30 1HG2 VAL 30 -3.093 3.642 0.497 226 HG23 VAL 30 2HG2 VAL 30 -4.630 2.863 0.865 227 H ASP 31 H ASP 31 -0.859 -1.080 1.007 228 HA ASP 31 HA ASP 31 -0.318 -2.045 -1.763 229 HB2 ASP 31 2HB ASP 31 1.515 -2.383 -0.398 230 HB3 ASP 31 3HB ASP 31 0.568 -2.863 0.999 231 H PHE 32 H PHE 32 -1.979 -2.867 -2.754 232 HA PHE 32 HA PHE 32 -4.190 -4.271 -1.394 233 HB2 PHE 32 2HB PHE 32 -3.657 -3.512 -4.288 234 HB3 PHE 32 3HB PHE 32 -5.031 -4.460 -3.760 235 HD1 PHE 32 HD1 PHE 32 -3.365 -1.115 -3.239 236 HD2 PHE 32 HD2 PHE 32 -7.011 -3.409 -3.028 237 HE1 PHE 32 HE1 PHE 32 -4.650 0.945 -2.750 238 HE2 PHE 32 HE2 PHE 32 -8.283 -1.336 -2.556 239 HZ PHE 32 HZ PHE 32 -7.097 0.857 -2.443 240 H TRP 33 H TRP 33 -3.903 -6.315 -0.861 241 HA TRP 33 HA TRP 33 -2.190 -8.129 -2.488 242 HB2 TRP 33 2HB TRP 33 -0.693 -8.501 -0.770 243 HB3 TRP 33 3HB TRP 33 -0.965 -6.782 -0.607 244 HD1 TRP 33 HD1 TRP 33 -3.045 -6.238 1.293 245 HE1 TRP 33 HE1 TRP 33 -3.619 -7.410 3.512 246 HE3 TRP 33 HE3 TRP 33 -0.212 -10.479 0.738 247 HZ2 TRP 33 HZ2 TRP 33 -2.813 -9.776 4.926 248 HZ3 TRP 33 HZ3 TRP 33 -0.109 -12.155 2.560 249 HH2 TRP 33 HH2 TRP 33 -1.413 -11.830 4.648 250 H ALA 34 H ALA 34 -2.175 -10.374 -1.608 251 HA ALA 34 HA ALA 34 -4.079 -11.102 0.436 252 HB1 ALA 34 3HB ALA 34 -5.244 -12.839 -0.893 253 HB2 ALA 34 1HB ALA 34 -5.585 -11.223 -1.519 254 HB3 ALA 34 2HB ALA 34 -4.422 -12.271 -2.363 255 H THR 35 H THR 35 -3.662 -13.189 1.303 256 HA THR 35 HA THR 35 -0.915 -13.986 1.212 257 HB THR 35 HB THR 35 -2.435 -14.108 3.180 258 HG1 THR 35 HG1 THR 35 -1.039 -16.457 2.444 259 HG21 THR 35 3HG2 THR 35 -4.400 -15.222 2.148 260 HG22 THR 35 1HG2 THR 35 -3.795 -16.083 3.569 261 HG23 THR 35 2HG2 THR 35 -3.446 -16.708 1.946 262 H TRP 36 H TRP 36 -3.456 -14.905 -0.899 263 HA TRP 36 HA TRP 36 -2.279 -17.473 -1.664 264 HB2 TRP 36 2HB TRP 36 -4.012 -17.445 -3.433 265 HB3 TRP 36 3HB TRP 36 -4.583 -17.397 -1.789 266 HD1 TRP 36 HD1 TRP 36 -6.430 -15.794 -1.277 267 HE1 TRP 36 HE1 TRP 36 -7.731 -14.034 -2.534 268 HE3 TRP 36 HE3 TRP 36 -3.239 -15.130 -5.263 269 HZ2 TRP 36 HZ2 TRP 36 -7.379 -12.381 -4.881 270 HZ3 TRP 36 HZ3 TRP 36 -3.724 -13.355 -6.937 271 HH2 TRP 36 HH2 TRP 36 -5.812 -12.030 -6.795 272 H CYS 37 H CYS 37 -1.205 -14.367 -2.263 273 HA CYS 37 HA CYS 37 -0.115 -15.093 -4.953 274 HB2 CYS 37 2HB CYS 37 -1.611 -13.194 -4.934 275 HB3 CYS 37 3HB CYS 37 -0.654 -12.401 -3.679 276 HG CYS 37 HG CYS 37 -0.362 -11.422 -6.249 277 H GLY 38 H GLY 38 1.896 -15.786 -4.982 278 HA2 GLY 38 2HA GLY 38 3.817 -15.610 -2.900 279 HA3 GLY 38 3HA GLY 38 4.167 -15.990 -4.585 280 HA PRO 39 HA PRO 39 5.765 -11.816 -5.273 281 HB2 PRO 39 2HB PRO 39 3.246 -10.968 -6.692 282 HB3 PRO 39 3HB PRO 39 4.945 -10.615 -7.133 283 HG2 PRO 39 2HG PRO 39 3.649 -12.615 -8.388 284 HG3 PRO 39 3HG PRO 39 5.318 -12.897 -7.787 285 HD2 PRO 39 2HD PRO 39 2.701 -13.752 -6.546 286 HD3 PRO 39 3HD PRO 39 4.230 -14.657 -6.692 287 H CYS 40 H CYS 40 2.357 -11.732 -4.054 288 HA CYS 40 HA CYS 40 2.627 -9.181 -2.688 289 HB2 CYS 40 2HB CYS 40 0.799 -11.561 -2.153 290 HB3 CYS 40 3HB CYS 40 0.773 -10.055 -1.249 291 HG CYS 40 HG CYS 40 0.478 -10.370 -4.527 292 H LYS 41 H LYS 41 3.109 -12.577 -1.634 293 HA LYS 41 HA LYS 41 4.086 -12.035 1.002 294 HB2 LYS 41 2HB LYS 41 3.288 -14.198 -0.054 295 HB3 LYS 41 3HB LYS 41 4.854 -14.352 -0.824 296 HG2 LYS 41 2HG LYS 41 4.401 -14.242 2.189 297 HG3 LYS 41 3HG LYS 41 4.494 -15.707 1.215 298 HD2 LYS 41 2HD LYS 41 6.843 -14.720 0.459 299 HD3 LYS 41 3HD LYS 41 6.703 -13.811 1.981 300 HE2 LYS 41 2HE LYS 41 6.286 -15.957 3.190 301 HE3 LYS 41 3HE LYS 41 6.495 -16.833 1.667 302 HZ1 LYS 41 3HZ LYS 41 8.549 -16.807 2.965 303 HZ2 LYS 41 1HZ LYS 41 8.590 -15.177 2.979 304 HZ3 LYS 41 2HZ LYS 41 8.783 -15.991 1.573 305 H MET 42 H MET 42 5.816 -12.057 -2.106 306 HA MET 42 HA MET 42 8.447 -11.670 -0.997 307 HB2 MET 42 2HB MET 42 7.319 -11.167 -3.770 308 HB3 MET 42 3HB MET 42 9.027 -11.015 -3.366 309 HG2 MET 42 2HG MET 42 9.227 -13.334 -2.820 310 HG3 MET 42 3HG MET 42 7.486 -13.580 -2.872 311 HE1 MET 42 3HE MET 42 9.367 -15.574 -4.306 312 HE2 MET 42 1HE MET 42 7.592 -15.658 -4.388 313 HE3 MET 42 2HE MET 42 8.558 -15.763 -5.877 314 H VAL 43 H VAL 43 6.054 -9.239 -2.236 315 HA VAL 43 HA VAL 43 7.965 -7.075 -1.693 316 HB VAL 43 HB VAL 43 6.370 -7.074 -3.593 317 HG11 VAL 43 1HG1 VAL 43 4.316 -7.790 -2.433 318 HG12 VAL 43 2HG1 VAL 43 4.280 -6.265 -1.531 319 HG13 VAL 43 3HG1 VAL 43 4.101 -6.261 -3.294 320 HG21 VAL 43 3HG2 VAL 43 5.993 -4.690 -3.578 321 HG22 VAL 43 1HG2 VAL 43 6.186 -4.619 -1.818 322 HG23 VAL 43 2HG2 VAL 43 7.569 -5.041 -2.846 323 H ALA 44 H ALA 44 5.405 -8.556 0.202 324 HA ALA 44 HA ALA 44 4.805 -6.580 2.048 325 HB1 ALA 44 3HB ALA 44 5.194 -9.564 2.518 326 HB2 ALA 44 1HB ALA 44 4.335 -8.449 3.601 327 HB3 ALA 44 2HB ALA 44 3.715 -8.754 1.967 328 HA PRO 45 HA PRO 45 8.579 -7.327 4.881 329 HB2 PRO 45 2HB PRO 45 10.905 -8.403 3.875 330 HB3 PRO 45 3HB PRO 45 9.610 -9.362 4.654 331 HG2 PRO 45 2HG PRO 45 10.036 -8.880 1.686 332 HG3 PRO 45 3HG PRO 45 9.764 -10.444 2.524 333 HD2 PRO 45 2HD PRO 45 7.724 -9.166 1.345 334 HD3 PRO 45 3HD PRO 45 7.485 -9.929 2.938 335 H VAL 46 H VAL 46 9.101 -6.520 1.444 336 HA VAL 46 HA VAL 46 11.141 -4.515 1.948 337 HB VAL 46 HB VAL 46 9.302 -4.533 -0.465 338 HG11 VAL 46 1HG1 VAL 46 12.200 -3.745 -0.084 339 HG12 VAL 46 2HG1 VAL 46 11.194 -3.486 -1.543 340 HG13 VAL 46 3HG1 VAL 46 10.868 -2.586 -0.054 341 HG21 VAL 46 3HG2 VAL 46 11.004 -5.931 -1.605 342 HG22 VAL 46 1HG2 VAL 46 11.838 -6.182 -0.052 343 HG23 VAL 46 2HG2 VAL 46 10.198 -6.817 -0.318 344 H LEU 47 H LEU 47 7.608 -4.416 1.431 345 HA LEU 47 HA LEU 47 7.197 -1.625 1.932 346 HB2 LEU 47 2HB LEU 47 5.540 -4.147 2.116 347 HB3 LEU 47 3HB LEU 47 4.868 -2.629 2.690 348 HG LEU 47 HG LEU 47 6.002 -2.846 -0.117 349 HD11 LEU 47 1HD1 LEU 47 3.687 -3.307 -0.854 350 HD12 LEU 47 2HD1 LEU 47 3.201 -3.479 0.857 351 HD13 LEU 47 3HD1 LEU 47 4.348 -4.617 0.134 352 HD21 LEU 47 3HD2 LEU 47 3.885 -1.054 1.167 353 HD22 LEU 47 1HD2 LEU 47 4.429 -0.974 -0.514 354 HD23 LEU 47 2HD2 LEU 47 5.551 -0.564 0.790 355 H GLU 48 H GLU 48 7.404 -4.404 4.209 356 HA GLU 48 HA GLU 48 6.717 -2.892 6.538 357 HB2 GLU 48 2HB GLU 48 6.745 -5.427 6.207 358 HB3 GLU 48 3HB GLU 48 8.496 -5.354 6.455 359 HG2 GLU 48 2HG GLU 48 8.056 -4.271 8.689 360 HG3 GLU 48 3HG GLU 48 6.322 -4.444 8.383 361 H GLU 49 H GLU 49 9.934 -3.558 5.048 362 HA GLU 49 HA GLU 49 11.461 -2.044 6.983 363 HB2 GLU 49 2HB GLU 49 11.953 -2.753 4.066 364 HB3 GLU 49 3HB GLU 49 13.051 -1.758 5.027 365 HG2 GLU 49 2HG GLU 49 13.330 -3.573 6.664 366 HG3 GLU 49 3HG GLU 49 12.234 -4.599 5.734 367 H ILE 50 H ILE 50 9.946 -1.054 3.853 368 HA ILE 50 HA ILE 50 10.644 1.718 4.016 369 HB ILE 50 HB ILE 50 8.373 0.183 2.734 370 HG12 ILE 50 2HG1 ILE 50 10.578 -0.135 1.721 371 HG13 ILE 50 3HG1 ILE 50 9.458 0.659 0.635 372 HG21 ILE 50 1HG2 ILE 50 8.769 3.171 2.374 373 HG22 ILE 50 2HG2 ILE 50 7.635 2.102 1.501 374 HG23 ILE 50 3HG2 ILE 50 7.416 2.390 3.204 375 HD11 ILE 50 3HD1 ILE 50 11.748 2.001 2.147 376 HD12 ILE 50 1HD1 ILE 50 11.689 1.608 0.424 377 HD13 ILE 50 2HD1 ILE 50 10.606 2.844 1.074 378 H ALA 51 H ALA 51 7.793 0.002 5.392 379 HA ALA 51 HA ALA 51 6.536 2.262 6.531 380 HB1 ALA 51 3HB ALA 51 6.606 -0.546 7.720 381 HB2 ALA 51 1HB ALA 51 5.297 0.648 7.798 382 HB3 ALA 51 2HB ALA 51 5.693 -0.151 6.265 383 H THR 52 H THR 52 9.037 0.124 7.864 384 HA THR 52 HA THR 52 9.160 1.316 10.495 385 HB THR 52 HB THR 52 11.264 -0.311 9.017 386 HG1 THR 52 HG1 THR 52 9.403 -1.484 9.177 387 HG21 THR 52 3HG2 THR 52 11.964 -0.982 11.314 388 HG22 THR 52 1HG2 THR 52 10.846 0.223 11.990 389 HG23 THR 52 2HG2 THR 52 12.237 0.738 11.007 390 H GLU 53 H GLU 53 11.083 1.821 7.517 391 HA GLU 53 HA GLU 53 12.826 3.756 8.881 392 HB2 GLU 53 2HB GLU 53 12.894 2.617 6.064 393 HB3 GLU 53 3HB GLU 53 14.133 3.630 6.810 394 HG2 GLU 53 2HG GLU 53 14.271 1.862 8.675 395 HG3 GLU 53 3HG GLU 53 13.330 0.812 7.647 396 H ARG 54 H ARG 54 10.130 4.032 6.637 397 HA ARG 54 HA ARG 54 10.749 6.940 6.182 398 HB2 ARG 54 2HB ARG 54 8.871 5.189 4.572 399 HB3 ARG 54 3HB ARG 54 9.387 6.809 4.182 400 HG2 ARG 54 2HG ARG 54 11.227 4.369 4.182 401 HG3 ARG 54 3HG ARG 54 10.410 5.045 2.783 402 HD2 ARG 54 2HD ARG 54 12.657 5.810 2.716 403 HD3 ARG 54 3HD ARG 54 11.624 7.197 3.101 404 HE ARG 54 HE ARG 54 12.464 6.138 5.564 405 HH11 ARG 54 1HH1 ARG 54 14.180 7.634 2.875 406 HH12 ARG 54 2HH1 ARG 54 15.369 8.309 3.988 407 HH21 ARG 54 1HH2 ARG 54 14.035 6.883 6.779 408 HH22 ARG 54 2HH2 ARG 54 15.430 7.696 6.062 409 H ALA 55 H ALA 55 9.210 5.502 8.486 410 HA ALA 55 HA ALA 55 6.530 6.149 8.506 411 HB1 ALA 55 3HB ALA 55 7.713 4.861 10.252 412 HB2 ALA 55 1HB ALA 55 8.508 6.345 10.821 413 HB3 ALA 55 2HB ALA 55 6.747 6.161 10.963 414 H THR 56 H THR 56 9.193 8.445 9.098 415 HA THR 56 HA THR 56 7.580 10.655 9.979 416 HB THR 56 HB THR 56 10.311 10.790 8.651 417 HG1 THR 56 HG1 THR 56 11.141 10.442 10.714 418 HG21 THR 56 3HG2 THR 56 10.679 12.641 10.288 419 HG22 THR 56 1HG2 THR 56 8.990 12.484 10.822 420 HG23 THR 56 2HG2 THR 56 9.369 13.003 9.165 421 H ASP 57 H ASP 57 8.328 9.423 6.787 422 HA ASP 57 HA ASP 57 7.525 11.953 5.425 423 HB2 ASP 57 2HB ASP 57 8.894 9.438 4.397 424 HB3 ASP 57 3HB ASP 57 8.508 10.864 3.440 425 H LEU 58 H LEU 58 6.610 8.529 5.730 426 HA LEU 58 HA LEU 58 3.948 9.117 4.661 427 HB2 LEU 58 2HB LEU 58 4.003 7.254 3.033 428 HB3 LEU 58 3HB LEU 58 5.017 8.622 2.627 429 HG LEU 58 HG LEU 58 7.046 7.366 3.232 430 HD11 LEU 58 1HD1 LEU 58 6.276 5.701 4.836 431 HD12 LEU 58 2HD1 LEU 58 6.808 4.838 3.398 432 HD13 LEU 58 3HD1 LEU 58 5.072 5.073 3.679 433 HD21 LEU 58 3HD2 LEU 58 6.171 7.408 0.929 434 HD22 LEU 58 1HD2 LEU 58 5.210 5.950 1.263 435 HD23 LEU 58 2HD2 LEU 58 6.985 5.881 1.291 436 H THR 59 H THR 59 2.409 7.337 4.971 437 HA THR 59 HA THR 59 3.186 5.402 7.150 438 HB THR 59 HB THR 59 0.439 6.482 6.440 439 HG1 THR 59 HG1 THR 59 0.591 7.207 8.609 440 HG21 THR 59 3HG2 THR 59 0.184 4.144 7.157 441 HG22 THR 59 1HG2 THR 59 -0.327 5.222 8.454 442 HG23 THR 59 2HG2 THR 59 1.262 4.430 8.547 443 H VAL 60 H VAL 60 2.969 3.220 6.718 444 HA VAL 60 HA VAL 60 2.059 2.458 3.969 445 HB VAL 60 HB VAL 60 3.872 0.970 5.876 446 HG11 VAL 60 1HG1 VAL 60 2.548 -0.652 4.574 447 HG12 VAL 60 2HG1 VAL 60 2.900 0.236 3.073 448 HG13 VAL 60 3HG1 VAL 60 4.198 -0.597 3.958 449 HG21 VAL 60 3HG2 VAL 60 4.402 2.326 3.196 450 HG22 VAL 60 1HG2 VAL 60 5.012 2.848 4.781 451 HG23 VAL 60 2HG2 VAL 60 5.557 1.316 4.087 452 H ALA 61 H ALA 61 0.276 1.395 3.705 453 HA ALA 61 HA ALA 61 -1.041 -0.031 5.954 454 HB1 ALA 61 3HB ALA 61 -2.314 1.737 3.829 455 HB2 ALA 61 1HB ALA 61 -3.186 0.837 5.088 456 HB3 ALA 61 2HB ALA 61 -2.098 2.167 5.536 457 H LYS 62 H LYS 62 -2.437 -1.785 5.317 458 HA LYS 62 HA LYS 62 -2.037 -2.858 2.540 459 HB2 LYS 62 2HB LYS 62 -2.000 -4.375 5.172 460 HB3 LYS 62 3HB LYS 62 -2.083 -5.127 3.575 461 HG2 LYS 62 2HG LYS 62 0.090 -4.122 2.950 462 HG3 LYS 62 3HG LYS 62 0.177 -3.303 4.511 463 HD2 LYS 62 2HD LYS 62 1.595 -5.229 4.642 464 HD3 LYS 62 3HD LYS 62 0.193 -5.488 5.672 465 HE2 LYS 62 2HE LYS 62 0.541 -7.554 4.595 466 HE3 LYS 62 3HE LYS 62 -0.847 -6.838 3.780 467 HZ1 LYS 62 3HZ LYS 62 1.944 -6.823 2.756 468 HZ2 LYS 62 1HZ LYS 62 0.695 -6.141 1.963 469 HZ3 LYS 62 2HZ LYS 62 0.725 -7.753 2.187 470 H LEU 63 H LEU 63 -3.743 -3.535 1.466 471 HA LEU 63 HA LEU 63 -6.395 -3.794 2.836 472 HB2 LEU 63 2HB LEU 63 -6.255 -1.817 1.338 473 HB3 LEU 63 3HB LEU 63 -5.798 -2.845 -0.000 474 HG LEU 63 HG LEU 63 -8.121 -2.073 -0.106 475 HD11 LEU 63 1HD1 LEU 63 -8.258 -5.058 0.346 476 HD12 LEU 63 2HD1 LEU 63 -7.401 -4.351 -1.023 477 HD13 LEU 63 3HD1 LEU 63 -9.138 -4.075 -0.824 478 HD21 LEU 63 3HD2 LEU 63 -8.595 -1.982 2.317 479 HD22 LEU 63 1HD2 LEU 63 -8.658 -3.756 2.368 480 HD23 LEU 63 2HD2 LEU 63 -9.844 -2.844 1.419 481 H ASP 64 H ASP 64 -6.944 -5.781 3.035 482 HA ASP 64 HA ASP 64 -5.759 -7.969 1.536 483 HB2 ASP 64 2HB ASP 64 -7.898 -7.767 3.700 484 HB3 ASP 64 3HB ASP 64 -7.355 -9.279 2.988 485 H VAL 65 H VAL 65 -6.442 -7.936 -0.625 486 HA VAL 65 HA VAL 65 -9.035 -7.069 -1.453 487 HB VAL 65 HB VAL 65 -8.521 -7.797 -3.659 488 HG11 VAL 65 1HG1 VAL 65 -5.939 -6.806 -2.401 489 HG12 VAL 65 2HG1 VAL 65 -6.459 -6.618 -4.089 490 HG13 VAL 65 3HG1 VAL 65 -7.341 -5.797 -2.797 491 HG21 VAL 65 3HG2 VAL 65 -6.590 -9.069 -4.331 492 HG22 VAL 65 1HG2 VAL 65 -6.086 -9.294 -2.647 493 HG23 VAL 65 2HG2 VAL 65 -7.573 -10.056 -3.253 494 H ASP 66 H ASP 66 -8.048 -10.117 -0.263 495 HA ASP 66 HA ASP 66 -10.034 -11.751 -1.598 496 HB2 ASP 66 2HB ASP 66 -7.783 -12.467 -0.639 497 HB3 ASP 66 3HB ASP 66 -8.517 -12.367 0.964 498 H THR 67 H THR 67 -10.103 -9.737 1.236 499 HA THR 67 HA THR 67 -12.906 -10.613 1.799 500 HB THR 67 HB THR 67 -11.246 -11.252 3.554 501 HG1 THR 67 HG1 THR 67 -12.656 -10.693 5.185 502 HG21 THR 67 3HG2 THR 67 -10.477 -9.638 5.152 503 HG22 THR 67 1HG2 THR 67 -11.331 -8.316 4.332 504 HG23 THR 67 2HG2 THR 67 -9.930 -9.100 3.557 505 H ASN 68 H ASN 68 -10.897 -7.924 0.883 506 HA ASN 68 HA ASN 68 -13.320 -6.170 0.983 507 HB2 ASN 68 2HB ASN 68 -10.415 -5.329 0.915 508 HB3 ASN 68 3HB ASN 68 -11.820 -4.289 1.101 509 HD21 ASN 68 1HD2 ASN 68 -9.657 -6.527 2.680 510 HD22 ASN 68 2HD2 ASN 68 -10.196 -6.144 4.317 511 HA PRO 69 HA PRO 69 -12.121 -7.027 -3.506 512 HB2 PRO 69 2HB PRO 69 -14.520 -7.960 -4.440 513 HB3 PRO 69 3HB PRO 69 -13.292 -9.013 -3.673 514 HG2 PRO 69 2HG PRO 69 -15.721 -7.737 -2.365 515 HG3 PRO 69 3HG PRO 69 -15.202 -9.452 -2.298 516 HD2 PRO 69 2HD PRO 69 -14.580 -7.715 -0.314 517 HD3 PRO 69 3HD PRO 69 -13.400 -8.950 -0.857 518 H GLU 70 H GLU 70 -14.797 -5.396 -1.844 519 HA GLU 70 HA GLU 70 -15.629 -3.718 -4.033 520 HB2 GLU 70 2HB GLU 70 -15.785 -3.183 -1.038 521 HB3 GLU 70 3HB GLU 70 -16.726 -2.387 -2.302 522 HG2 GLU 70 2HG GLU 70 -16.915 -5.282 -1.377 523 HG3 GLU 70 3HG GLU 70 -18.122 -4.017 -1.188 524 H THR 71 H THR 71 -13.228 -3.204 -1.395 525 HA THR 71 HA THR 71 -12.392 -0.590 -2.261 526 HB THR 71 HB THR 71 -10.590 -2.461 -0.779 527 HG1 THR 71 HG1 THR 71 -12.921 -1.177 0.165 528 HG21 THR 71 3HG2 THR 71 -10.072 -0.405 0.482 529 HG22 THR 71 1HG2 THR 71 -11.246 0.508 -0.483 530 HG23 THR 71 2HG2 THR 71 -9.788 -0.152 -1.247 531 H ALA 72 H ALA 72 -11.220 -3.882 -3.018 532 HA ALA 72 HA ALA 72 -9.011 -3.081 -4.654 533 HB1 ALA 72 3HB ALA 72 -9.023 -5.381 -5.379 534 HB2 ALA 72 1HB ALA 72 -9.449 -5.355 -3.658 535 HB3 ALA 72 2HB ALA 72 -10.713 -5.595 -4.879 536 H ARG 73 H ARG 73 -12.453 -3.623 -5.487 537 HA ARG 73 HA ARG 73 -12.019 -3.091 -8.296 538 HB2 ARG 73 2HB ARG 73 -13.898 -4.456 -7.143 539 HB3 ARG 73 3HB ARG 73 -14.680 -2.898 -6.842 540 HG2 ARG 73 2HG ARG 73 -14.474 -2.514 -9.407 541 HG3 ARG 73 3HG ARG 73 -13.996 -4.211 -9.506 542 HD2 ARG 73 2HD ARG 73 -16.653 -3.031 -8.639 543 HD3 ARG 73 3HD ARG 73 -16.332 -4.090 -10.002 544 HE ARG 73 HE ARG 73 -16.033 -5.966 -8.497 545 HH11 ARG 73 1HH2 ARG 73 -17.409 -3.157 -6.899 546 HH12 ARG 73 2HH2 ARG 73 -17.919 -4.089 -5.508 547 HH21 ARG 73 1HH1 ARG 73 -16.698 -7.070 -6.659 548 HH22 ARG 73 2HH1 ARG 73 -17.437 -6.177 -5.341 549 H ASN 74 H ASN 74 -13.039 -1.046 -5.577 550 HA ASN 74 HA ASN 74 -14.080 1.148 -6.885 551 HB2 ASN 74 2HB ASN 74 -14.074 0.799 -4.442 552 HB3 ASN 74 3HB ASN 74 -12.336 1.106 -4.377 553 HD21 ASN 74 1HD2 ASN 74 -11.624 3.297 -4.302 554 HD22 ASN 74 2HD2 ASN 74 -12.765 4.625 -4.362 555 H PHE 75 H PHE 75 -10.596 0.527 -6.398 556 HA PHE 75 HA PHE 75 -9.926 2.995 -7.938 557 HB2 PHE 75 2HB PHE 75 -8.125 1.201 -6.293 558 HB3 PHE 75 3HB PHE 75 -7.677 2.717 -7.049 559 HD1 PHE 75 HD2 PHE 75 -8.829 4.880 -6.278 560 HD2 PHE 75 HD1 PHE 75 -9.089 1.164 -4.107 561 HE1 PHE 75 HE2 PHE 75 -9.516 6.118 -4.235 562 HE2 PHE 75 HE1 PHE 75 -9.785 2.403 -2.070 563 HZ PHE 75 HZ PHE 75 -10.003 4.879 -2.134 564 H GLN 76 H GLN 76 -10.693 -0.022 -8.826 565 HA GLN 76 HA GLN 76 -10.047 -1.635 -10.226 566 HB2 GLN 76 2HB GLN 76 -10.615 0.255 -11.772 567 HB3 GLN 76 3HB GLN 76 -8.882 0.562 -11.956 568 HG2 GLN 76 2HG GLN 76 -8.575 -1.772 -12.800 569 HG3 GLN 76 3HG GLN 76 -10.301 -2.070 -12.586 570 HE21 GLN 76 1HE2 GLN 76 -11.834 -0.743 -13.963 571 HE22 GLN 76 2HE2 GLN 76 -11.235 -0.165 -15.511 572 H VAL 77 H VAL 77 -8.571 -2.002 -8.266 573 HA VAL 77 HA VAL 77 -5.792 -2.510 -9.206 574 HB VAL 77 HB VAL 77 -5.053 -2.114 -6.915 575 HG11 VAL 77 1HG1 VAL 77 -6.453 0.338 -8.010 576 HG12 VAL 77 2HG1 VAL 77 -5.019 0.290 -6.970 577 HG13 VAL 77 3HG1 VAL 77 -4.928 -0.316 -8.634 578 HG21 VAL 77 3HG2 VAL 77 -6.454 -0.823 -5.344 579 HG22 VAL 77 1HG2 VAL 77 -7.854 -1.031 -6.404 580 HG23 VAL 77 2HG2 VAL 77 -7.103 -2.443 -5.640 581 H VAL 78 H VAL 78 -8.080 -4.221 -9.433 582 HA VAL 78 HA VAL 78 -8.128 -6.176 -7.330 583 HB VAL 78 HB VAL 78 -9.465 -7.540 -8.862 584 HG11 VAL 78 1HG1 VAL 78 -10.532 -5.776 -7.510 585 HG12 VAL 78 2HG1 VAL 78 -10.324 -4.621 -8.847 586 HG13 VAL 78 3HG1 VAL 78 -11.376 -6.037 -9.041 587 HG21 VAL 78 3HG2 VAL 78 -10.152 -6.707 -11.062 588 HG22 VAL 78 1HG2 VAL 78 -9.050 -5.326 -10.928 589 HG23 VAL 78 2HG2 VAL 78 -8.409 -6.982 -11.036 590 H SER 79 H SER 79 -6.034 -5.866 -10.103 591 HA SER 79 HA SER 79 -4.862 -8.561 -9.837 592 HB2 SER 79 2HB SER 79 -3.898 -6.105 -11.354 593 HB3 SER 79 3HB SER 79 -3.180 -7.725 -11.427 594 HG SER 79 HG SER 79 -4.651 -7.347 -13.159 595 H ILE 80 H ILE 80 -2.955 -9.039 -8.719 596 HA ILE 80 HA ILE 80 -1.873 -6.886 -6.985 597 HB ILE 80 HB ILE 80 -2.069 -8.378 -5.035 598 HG12 ILE 80 2HG1 ILE 80 -3.784 -10.222 -6.726 599 HG13 ILE 80 3HG1 ILE 80 -2.127 -10.554 -6.205 600 HG21 ILE 80 1HG2 ILE 80 -4.803 -7.935 -6.267 601 HG22 ILE 80 2HG2 ILE 80 -4.346 -7.904 -4.553 602 HG23 ILE 80 3HG2 ILE 80 -3.792 -6.623 -5.630 603 HD11 ILE 80 3HD1 ILE 80 -4.580 -10.285 -4.460 604 HD12 ILE 80 1HD1 ILE 80 -3.451 -11.643 -4.595 605 HD13 ILE 80 2HD1 ILE 80 -2.929 -10.163 -3.808 606 HA PRO 81 HA PRO 81 -0.445 -6.963 -4.961 607 HB2 PRO 81 2HB PRO 81 2.037 -5.877 -4.665 608 HB3 PRO 81 3HB PRO 81 1.586 -7.459 -3.979 609 HG2 PRO 81 2HG PRO 81 3.038 -6.892 -6.576 610 HG3 PRO 81 3HG PRO 81 3.475 -8.077 -5.307 611 HD2 PRO 81 2HD PRO 81 2.119 -8.822 -7.549 612 HD3 PRO 81 3HD PRO 81 1.740 -9.546 -5.958 613 H THR 82 H THR 82 -1.073 -4.880 -5.092 614 HA THR 82 HA THR 82 0.132 -3.114 -7.169 615 HB THR 82 HB THR 82 -2.838 -3.327 -6.601 616 HG1 THR 82 HG1 THR 82 -2.538 -4.522 -8.311 617 HG21 THR 82 3HG2 THR 82 -2.987 -1.452 -8.296 618 HG22 THR 82 1HG2 THR 82 -1.254 -1.177 -8.086 619 HG23 THR 82 2HG2 THR 82 -2.370 -0.942 -6.718 620 H LEU 83 H LEU 83 1.039 -1.452 -6.310 621 HA LEU 83 HA LEU 83 0.398 -0.593 -3.517 622 HB2 LEU 83 2HB LEU 83 2.895 -0.364 -5.224 623 HB3 LEU 83 3HB LEU 83 2.646 0.569 -3.768 624 HG LEU 83 HG LEU 83 2.596 -1.473 -2.403 625 HD11 LEU 83 1HD1 LEU 83 3.171 -2.945 -5.016 626 HD12 LEU 83 2HD1 LEU 83 1.806 -3.214 -3.900 627 HD13 LEU 83 3HD1 LEU 83 3.434 -3.627 -3.394 628 HD21 LEU 83 3HD2 LEU 83 4.986 -1.290 -4.294 629 HD22 LEU 83 1HD2 LEU 83 4.997 -2.011 -2.672 630 HD23 LEU 83 2HD2 LEU 83 4.711 -0.274 -2.863 631 H ILE 84 H ILE 84 -0.567 1.359 -3.296 632 HA ILE 84 HA ILE 84 -0.285 3.357 -5.492 633 HB ILE 84 HB ILE 84 -2.536 2.054 -5.346 634 HG12 ILE 84 2HG1 ILE 84 -2.069 3.972 -6.825 635 HG13 ILE 84 3HG1 ILE 84 -3.739 3.764 -6.333 636 HG21 ILE 84 1HG2 ILE 84 -2.902 2.314 -2.963 637 HG22 ILE 84 2HG2 ILE 84 -3.042 4.063 -3.161 638 HG23 ILE 84 3HG2 ILE 84 -4.241 2.998 -3.921 639 HD11 ILE 84 3HD1 ILE 84 -3.113 6.122 -6.423 640 HD12 ILE 84 1HD1 ILE 84 -3.574 5.664 -4.777 641 HD13 ILE 84 2HD1 ILE 84 -1.863 5.879 -5.206 642 H LEU 85 H LEU 85 0.364 5.312 -4.865 643 HA LEU 85 HA LEU 85 0.573 5.873 -1.933 644 HB2 LEU 85 2HB LEU 85 2.728 5.653 -3.197 645 HB3 LEU 85 3HB LEU 85 2.202 6.992 -4.218 646 HG LEU 85 HG LEU 85 2.086 8.441 -2.139 647 HD11 LEU 85 1HD1 LEU 85 3.382 7.743 -0.176 648 HD12 LEU 85 2HD1 LEU 85 3.629 6.137 -0.893 649 HD13 LEU 85 3HD1 LEU 85 2.000 6.677 -0.417 650 HD21 LEU 85 3HD2 LEU 85 4.773 7.195 -2.849 651 HD22 LEU 85 1HD2 LEU 85 4.532 8.748 -2.020 652 HD23 LEU 85 2HD2 LEU 85 3.984 8.545 -3.696 653 H PHE 86 H PHE 86 -0.794 7.268 -1.183 654 HA PHE 86 HA PHE 86 -1.980 9.402 -2.879 655 HB2 PHE 86 2HB PHE 86 -2.667 8.498 -0.055 656 HB3 PHE 86 3HB PHE 86 -3.489 9.756 -0.955 657 HD1 PHE 86 HD1 PHE 86 -2.966 6.097 -0.652 658 HD2 PHE 86 HD2 PHE 86 -5.176 9.220 -2.630 659 HE1 PHE 86 HE1 PHE 86 -4.599 4.429 -1.481 660 HE2 PHE 86 HE2 PHE 86 -6.761 7.538 -3.526 661 HZ PHE 86 HZ PHE 86 -6.465 5.128 -2.965 662 H LYS 87 H LYS 87 -1.686 11.567 -2.334 663 HA LYS 87 HA LYS 87 -0.121 12.226 0.113 664 HB2 LYS 87 2HB LYS 87 0.025 13.795 -2.469 665 HB3 LYS 87 3HB LYS 87 0.726 14.257 -0.918 666 HG2 LYS 87 2HG LYS 87 2.133 12.144 -0.985 667 HG3 LYS 87 3HG LYS 87 1.538 11.862 -2.626 668 HD2 LYS 87 2HD LYS 87 2.384 14.191 -3.224 669 HD3 LYS 87 3HD LYS 87 3.136 14.259 -1.616 670 HE2 LYS 87 2HE LYS 87 4.548 12.347 -2.141 671 HE3 LYS 87 3HE LYS 87 3.746 12.135 -3.704 672 HZ1 LYS 87 3HZ LYS 87 5.315 14.539 -2.906 673 HZ2 LYS 87 1HZ LYS 87 4.548 14.368 -4.334 674 HZ3 LYS 87 2HZ LYS 87 5.810 13.406 -3.974 675 H ASP 88 H ASP 88 -1.249 13.531 1.498 676 HA ASP 88 HA ASP 88 -3.139 14.372 2.451 677 HB2 ASP 88 2HB ASP 88 -2.082 16.334 1.414 678 HB3 ASP 88 3HB ASP 88 -3.074 16.119 -0.026 679 H GLY 89 H GLY 89 -3.799 12.003 1.430 680 HA2 GLY 89 2HA GLY 89 -5.542 10.646 0.903 681 HA3 GLY 89 3HA GLY 89 -6.620 12.020 1.130 682 H GLN 90 H GLN 90 -4.330 12.574 -1.397 683 HA GLN 90 HA GLN 90 -6.334 11.834 -3.495 684 HB2 GLN 90 2HB GLN 90 -4.395 14.158 -3.285 685 HB3 GLN 90 3HB GLN 90 -5.292 13.767 -4.751 686 HG2 GLN 90 2HG GLN 90 -7.349 14.408 -3.863 687 HG3 GLN 90 3HG GLN 90 -6.872 14.114 -2.196 688 HE21 GLN 90 1HE2 GLN 90 -5.635 15.694 -1.030 689 HE22 GLN 90 2HE2 GLN 90 -5.520 17.342 -1.636 690 HA PRO 91 HA PRO 91 -3.192 9.044 -4.783 691 HB2 PRO 91 2HB PRO 91 -3.952 8.376 -7.327 692 HB3 PRO 91 3HB PRO 91 -4.857 7.890 -5.859 693 HG2 PRO 91 2HG PRO 91 -5.409 10.253 -7.683 694 HG3 PRO 91 3HG PRO 91 -6.566 9.020 -7.087 695 HD2 PRO 91 2HD PRO 91 -6.315 11.438 -5.871 696 HD3 PRO 91 3HD PRO 91 -6.579 9.947 -4.913 697 H VAL 92 H VAL 92 -1.163 9.082 -5.582 698 HA VAL 92 HA VAL 92 -0.381 11.210 -7.556 699 HB VAL 92 HB VAL 92 0.996 10.451 -4.954 700 HG11 VAL 92 1HG1 VAL 92 2.604 12.283 -5.544 701 HG12 VAL 92 2HG1 VAL 92 2.744 10.887 -6.608 702 HG13 VAL 92 3HG1 VAL 92 1.895 12.348 -7.168 703 HG21 VAL 92 3HG2 VAL 92 -0.851 11.999 -4.592 704 HG22 VAL 92 1HG2 VAL 92 0.637 12.944 -4.537 705 HG23 VAL 92 2HG2 VAL 92 -0.369 12.986 -5.987 706 H LYS 93 H LYS 93 0.445 7.950 -6.300 707 HA LYS 93 HA LYS 93 1.716 7.354 -8.931 708 HB2 LYS 93 2HB LYS 93 3.540 8.078 -7.476 709 HB3 LYS 93 3HB LYS 93 3.040 6.946 -6.225 710 HG2 LYS 93 2HG LYS 93 3.572 5.033 -7.716 711 HG3 LYS 93 3HG LYS 93 4.116 6.160 -8.968 712 HD2 LYS 93 2HD LYS 93 5.266 5.997 -6.143 713 HD3 LYS 93 3HD LYS 93 5.925 5.095 -7.498 714 HE2 LYS 93 2HE LYS 93 5.656 8.132 -7.591 715 HE3 LYS 93 3HE LYS 93 7.024 7.345 -6.824 716 HZ1 LYS 93 3HZ LYS 93 7.450 6.173 -8.950 717 HZ2 LYS 93 1HZ LYS 93 7.601 7.827 -9.041 718 HZ3 LYS 93 2HZ LYS 93 6.285 7.072 -9.672 719 H ARG 94 H ARG 94 1.532 5.266 -9.612 720 HA ARG 94 HA ARG 94 0.434 3.196 -7.775 721 HB2 ARG 94 2HB ARG 94 -1.382 4.125 -9.239 722 HB3 ARG 94 3HB ARG 94 -0.485 3.563 -10.654 723 HG2 ARG 94 2HG ARG 94 -0.630 1.219 -9.807 724 HG3 ARG 94 3HG ARG 94 -1.525 1.782 -8.389 725 HD2 ARG 94 2HD ARG 94 -2.430 2.079 -11.290 726 HD3 ARG 94 3HD ARG 94 -2.941 0.797 -10.180 727 HE ARG 94 HE ARG 94 -3.414 3.517 -9.180 728 HH11 ARG 94 1HH2 ARG 94 -4.897 0.932 -11.063 729 HH12 ARG 94 2HH2 ARG 94 -6.498 1.414 -10.553 730 HH21 ARG 94 1HH1 ARG 94 -5.541 4.107 -8.730 731 HH22 ARG 94 2HH1 ARG 94 -6.829 3.106 -9.376 732 H ILE 95 H ILE 95 1.321 1.249 -7.913 733 HA ILE 95 HA ILE 95 3.239 0.542 -10.087 734 HB ILE 95 HB ILE 95 3.729 -0.193 -7.196 735 HG12 ILE 95 2HG1 ILE 95 4.985 2.260 -8.493 736 HG13 ILE 95 3HG1 ILE 95 3.738 2.306 -7.242 737 HG21 ILE 95 1HG2 ILE 95 6.001 -0.628 -7.975 738 HG22 ILE 95 2HG2 ILE 95 4.858 -1.484 -8.990 739 HG23 ILE 95 3HG2 ILE 95 5.598 0.023 -9.582 740 HD11 ILE 95 3HD1 ILE 95 6.552 1.260 -6.879 741 HD12 ILE 95 1HD1 ILE 95 5.791 2.683 -6.147 742 HD13 ILE 95 2HD1 ILE 95 5.243 1.063 -5.688 743 H VAL 96 H VAL 96 3.021 -1.643 -10.736 744 HA VAL 96 HA VAL 96 1.514 -3.491 -8.977 745 HB VAL 96 HB VAL 96 -0.196 -2.850 -10.444 746 HG11 VAL 96 1HG1 VAL 96 -0.087 -3.082 -12.908 747 HG12 VAL 96 2HG1 VAL 96 1.069 -1.882 -12.326 748 HG13 VAL 96 3HG1 VAL 96 1.636 -3.500 -12.798 749 HG21 VAL 96 3HG2 VAL 96 0.804 -5.525 -11.479 750 HG22 VAL 96 1HG2 VAL 96 -0.082 -5.263 -9.954 751 HG23 VAL 96 2HG2 VAL 96 -0.857 -4.905 -11.498 752 H GLY 97 H GLY 97 2.163 -5.544 -8.945 753 HA2 GLY 97 2HA GLY 97 3.615 -7.380 -9.360 754 HA3 GLY 97 3HA GLY 97 4.573 -6.416 -10.478 755 H ALA 98 H ALA 98 5.587 -8.016 -8.323 756 HA ALA 98 HA ALA 98 6.168 -6.388 -6.008 757 HB1 ALA 98 3HB ALA 98 7.584 -8.307 -5.354 758 HB2 ALA 98 1HB ALA 98 5.971 -8.819 -5.878 759 HB3 ALA 98 2HB ALA 98 7.365 -9.021 -6.964 760 H LYS 99 H LYS 99 8.003 -5.350 -5.395 761 HA LYS 99 HA LYS 99 10.369 -5.235 -7.202 762 HB2 LYS 99 2HB LYS 99 9.018 -2.822 -5.908 763 HB3 LYS 99 3HB LYS 99 10.593 -2.806 -6.698 764 HG2 LYS 99 2HG LYS 99 9.451 -3.679 -8.803 765 HG3 LYS 99 3HG LYS 99 7.901 -3.376 -8.002 766 HD2 LYS 99 2HD LYS 99 8.477 -0.958 -7.820 767 HD3 LYS 99 3HD LYS 99 10.037 -1.285 -8.606 768 HE2 LYS 99 2HE LYS 99 8.713 -2.315 -10.540 769 HE3 LYS 99 3HE LYS 99 7.254 -1.671 -9.802 770 HZ1 LYS 99 3HZ LYS 99 8.180 -0.192 -11.519 771 HZ2 LYS 99 1HZ LYS 99 9.567 -0.016 -10.688 772 HZ3 LYS 99 2HZ LYS 99 8.164 0.598 -10.102 773 H GLY 100 H GLY 100 12.350 -5.038 -6.167 774 HA2 GLY 100 2HA GLY 100 12.483 -5.926 -3.366 775 HA3 GLY 100 3HA GLY 100 13.827 -5.713 -4.489 776 H LYS 101 H LYS 101 14.105 -4.768 -1.962 777 HA LYS 101 HA LYS 101 13.241 -2.204 -1.297 778 HB2 LYS 101 2HB LYS 101 14.647 -3.876 0.071 779 HB3 LYS 101 3HB LYS 101 16.055 -3.248 -0.755 780 HG2 LYS 101 2HG LYS 101 15.918 -2.202 1.368 781 HG3 LYS 101 3HG LYS 101 15.594 -0.969 0.151 782 HD2 LYS 101 2HD LYS 101 13.135 -1.188 0.603 783 HD3 LYS 101 3HD LYS 101 13.483 -2.419 1.821 784 HE2 LYS 101 2HE LYS 101 14.260 0.536 1.882 785 HE3 LYS 101 3HE LYS 101 13.041 -0.290 2.852 786 HZ1 LYS 101 3HZ LYS 101 14.999 -0.106 4.205 787 HZ2 LYS 101 1HZ LYS 101 15.976 -0.680 3.029 788 HZ3 LYS 101 2HZ LYS 101 14.924 -1.691 3.760 789 H ALA 102 H ALA 102 15.850 -2.945 -3.467 790 HA ALA 102 HA ALA 102 16.901 -0.263 -3.682 791 HB1 ALA 102 3HB ALA 102 18.177 -2.234 -4.397 792 HB2 ALA 102 1HB ALA 102 16.987 -2.580 -5.672 793 HB3 ALA 102 2HB ALA 102 17.977 -1.108 -5.754 794 H ALA 103 H ALA 103 14.580 -2.034 -5.776 795 HA ALA 103 HA ALA 103 14.029 0.278 -7.431 796 HB1 ALA 103 3HB ALA 103 14.052 -1.973 -8.338 797 HB2 ALA 103 1HB ALA 103 12.752 -2.476 -7.241 798 HB3 ALA 103 2HB ALA 103 12.434 -1.274 -8.519 799 H LEU 104 H LEU 104 12.232 -1.286 -4.688 800 HA LEU 104 HA LEU 104 10.004 0.521 -4.944 801 HB2 LEU 104 2HB LEU 104 9.882 -1.670 -3.777 802 HB3 LEU 104 3HB LEU 104 10.933 -1.045 -2.504 803 HG LEU 104 HG LEU 104 9.236 0.608 -1.856 804 HD11 LEU 104 1HD1 LEU 104 7.537 -0.555 -4.105 805 HD12 LEU 104 2HD1 LEU 104 8.144 1.116 -3.988 806 HD13 LEU 104 3HD1 LEU 104 6.949 0.545 -2.837 807 HD21 LEU 104 3HD2 LEU 104 8.054 -2.181 -2.161 808 HD22 LEU 104 1HD2 LEU 104 7.450 -0.913 -1.071 809 HD23 LEU 104 2HD2 LEU 104 9.057 -1.588 -0.817 810 H LEU 105 H LEU 105 13.147 0.762 -3.140 811 HA LEU 105 HA LEU 105 12.363 3.382 -2.175 812 HB2 LEU 105 2HB LEU 105 14.021 2.035 -0.954 813 HB3 LEU 105 3HB LEU 105 15.164 2.270 -2.283 814 HG LEU 105 HG LEU 105 15.165 4.721 -1.883 815 HD11 LEU 105 1HD1 LEU 105 14.111 5.643 0.190 816 HD12 LEU 105 2HD1 LEU 105 13.257 4.101 0.424 817 HD13 LEU 105 3HD1 LEU 105 12.906 5.130 -0.985 818 HD21 LEU 105 3HD2 LEU 105 15.597 3.122 0.662 819 HD22 LEU 105 1HD2 LEU 105 16.306 4.705 0.272 820 HD23 LEU 105 2HD2 LEU 105 16.749 3.282 -0.683 821 H ARG 106 H ARG 106 13.879 2.367 -5.327 822 HA ARG 106 HA ARG 106 14.353 5.153 -6.065 823 HB2 ARG 106 2HB ARG 106 13.410 2.905 -7.908 824 HB3 ARG 106 3HB ARG 106 13.987 4.487 -8.399 825 HG2 ARG 106 2HG ARG 106 15.584 2.189 -7.299 826 HG3 ARG 106 3HG ARG 106 15.786 3.071 -8.797 827 HD2 ARG 106 2HD ARG 106 16.488 5.088 -7.491 828 HD3 ARG 106 3HD ARG 106 16.383 4.148 -6.002 829 HE ARG 106 HE ARG 106 18.474 4.044 -8.039 830 HH11 ARG 106 1HH1 ARG 106 17.074 2.104 -5.455 831 HH12 ARG 106 2HH1 ARG 106 18.627 1.421 -5.041 832 HH21 ARG 106 2HH2 ARG 106 20.357 3.006 -7.539 833 HH22 ARG 106 1HH2 ARG 106 20.399 1.833 -6.257 834 H GLU 107 H GLU 107 11.448 3.149 -6.427 835 HA GLU 107 HA GLU 107 9.738 5.143 -7.468 836 HB2 GLU 107 2HB GLU 107 9.193 2.654 -5.843 837 HB3 GLU 107 3HB GLU 107 7.904 3.643 -6.517 838 HG2 GLU 107 2HG GLU 107 10.141 2.619 -8.306 839 HG3 GLU 107 3HG GLU 107 8.807 1.591 -7.829 840 H LEU 108 H LEU 108 10.465 4.459 -4.035 841 HA LEU 108 HA LEU 108 8.612 6.632 -3.208 842 HB2 LEU 108 2HB LEU 108 10.186 4.619 -1.587 843 HB3 LEU 108 3HB LEU 108 9.023 5.779 -0.938 844 HG LEU 108 HG LEU 108 8.346 3.596 -2.963 845 HD11 LEU 108 1HD1 LEU 108 8.996 2.749 -0.731 846 HD12 LEU 108 2HD1 LEU 108 7.297 2.451 -1.098 847 HD13 LEU 108 3HD1 LEU 108 7.745 3.785 -0.000 848 HD21 LEU 108 3HD2 LEU 108 6.534 5.485 -1.401 849 HD22 LEU 108 1HD2 LEU 108 5.990 4.095 -2.367 850 HD23 LEU 108 2HD2 LEU 108 6.767 5.459 -3.165 851 H SER 109 H SER 109 12.076 6.182 -3.541 852 HA SER 109 HA SER 109 12.788 8.537 -2.070 853 HB2 SER 109 2HB SER 109 14.463 6.872 -2.586 854 HB3 SER 109 3HB SER 109 14.353 7.278 -4.319 855 HG SER 109 HG SER 109 14.987 9.100 -2.216 856 H ASP 110 H ASP 110 11.501 7.925 -5.306 857 HA ASP 110 HA ASP 110 11.642 10.462 -6.515 858 HB2 ASP 110 2HB ASP 110 10.600 8.220 -7.284 859 HB3 ASP 110 3HB ASP 110 9.171 8.709 -6.374 860 H VAL 111 H VAL 111 9.957 9.596 -3.558 861 HA VAL 111 HA VAL 111 8.815 12.339 -3.283 862 HB VAL 111 HB VAL 111 7.986 9.694 -2.024 863 HG11 VAL 111 1HG1 VAL 111 7.678 11.411 -0.362 864 HG12 VAL 111 2HG1 VAL 111 6.906 12.488 -1.548 865 HG13 VAL 111 3HG1 VAL 111 6.111 10.973 -1.034 866 HG21 VAL 111 3HG2 VAL 111 6.710 11.516 -4.093 867 HG22 VAL 111 1HG2 VAL 111 7.182 9.818 -4.276 868 HG23 VAL 111 2HG2 VAL 111 5.825 10.238 -3.234 869 H VAL 112 H VAL 112 10.941 9.923 -1.839 870 HA VAL 112 HA VAL 112 11.847 11.858 0.266 871 HB VAL 112 HB VAL 112 12.128 8.832 0.375 872 HG11 VAL 112 1HG1 VAL 112 13.697 10.104 1.816 873 HG12 VAL 112 2HG1 VAL 112 12.354 11.083 2.440 874 HG13 VAL 112 3HG1 VAL 112 12.445 9.360 2.815 875 HG21 VAL 112 3HG2 VAL 112 9.731 9.281 0.415 876 HG22 VAL 112 1HG2 VAL 112 10.268 8.933 2.056 877 HG23 VAL 112 2HG2 VAL 112 9.964 10.616 1.565 878 HA PRO 113 HA PRO 113 15.231 11.412 -2.865 879 HB2 PRO 113 2HB PRO 113 15.990 14.036 -3.058 880 HB3 PRO 113 3HB PRO 113 14.582 13.350 -3.924 881 HG2 PRO 113 2HG PRO 113 14.581 14.822 -1.262 882 HG3 PRO 113 3HG PRO 113 13.573 15.159 -2.710 883 HD2 PRO 113 2HD PRO 113 12.613 13.663 -0.684 884 HD3 PRO 113 3HD PRO 113 12.286 13.200 -2.383 885 H ASN 114 H ASN 114 15.129 12.191 0.425 886 HA ASN 114 HA ASN 114 17.899 12.855 0.899 887 HB2 ASN 114 2HB ASN 114 15.899 13.308 2.403 888 HB3 ASN 114 3HB ASN 114 15.897 11.592 2.822 889 HD21 ASN 114 1HD2 ASN 114 17.312 10.932 4.481 890 HD22 ASN 114 2HD2 ASN 114 18.499 12.037 5.185 891 H LEU 115 H LEU 115 16.313 9.831 0.295 892 HA LEU 115 HA LEU 115 16.810 7.663 0.294 893 HB2 LEU 115 2HB LEU 115 19.624 8.715 -0.052 894 HB3 LEU 115 3HB LEU 115 19.268 6.999 -0.046 895 HG LEU 115 HG LEU 115 17.897 8.920 -1.969 896 HD11 LEU 115 1HD1 LEU 115 19.519 8.141 -3.654 897 HD12 LEU 115 2HD1 LEU 115 20.392 7.222 -2.405 898 HD13 LEU 115 3HD1 LEU 115 20.331 8.998 -2.335 899 HD21 LEU 115 3HD2 LEU 115 17.501 6.847 -3.267 900 HD22 LEU 115 1HD2 LEU 115 16.773 6.719 -1.667 901 HD23 LEU 115 2HD2 LEU 115 18.304 5.885 -2.005 902 H ASN 116 H ASN 116 19.092 9.147 2.603 903 HA ASN 116 HA ASN 116 18.898 6.926 4.516 904 HB2 ASN 116 2HB ASN 116 20.840 8.665 4.181 905 HB3 ASN 116 3HB ASN 116 19.828 9.756 5.124 906 HD21 ASN 116 1HD2 ASN 116 18.818 7.925 7.066 907 HD22 ASN 116 2HD2 ASN 116 20.203 7.428 8.049 Start of MODEL 10 1 H1 MET 1 1H MET 1 10.232 -15.876 1.185 2 H2 MET 1 2H MET 1 10.657 -15.694 2.753 3 HA MET 1 HA MET 1 10.523 -13.308 2.609 4 HB2 MET 1 2HB MET 1 9.778 -13.854 -0.305 5 HB3 MET 1 3HB MET 1 9.496 -12.330 0.524 6 HG2 MET 1 2HG MET 1 11.449 -12.030 -0.716 7 HG3 MET 1 3HG MET 1 11.930 -12.109 0.974 8 HE1 MET 1 3HE MET 1 13.920 -12.239 -1.513 9 HE2 MET 1 1HE MET 1 14.452 -12.309 0.183 10 HE3 MET 1 2HE MET 1 15.032 -13.521 -0.982 11 H THR 2 H THR 2 8.694 -12.616 3.666 12 HA THR 2 HA THR 2 6.029 -13.393 2.838 13 HB THR 2 HB THR 2 6.809 -15.431 4.075 14 HG1 THR 2 HG1 THR 2 4.922 -15.536 5.328 15 HG21 THR 2 3HG2 THR 2 8.154 -14.325 5.860 16 HG22 THR 2 1HG2 THR 2 6.930 -15.436 6.491 17 HG23 THR 2 2HG2 THR 2 6.653 -13.686 6.566 18 H ASP 3 H ASP 3 4.371 -12.557 4.475 19 HA ASP 3 HA ASP 3 4.994 -9.759 5.157 20 HB2 ASP 3 2HB ASP 3 2.600 -9.566 5.501 21 HB3 ASP 3 3HB ASP 3 2.923 -10.332 3.952 22 H SER 4 H SER 4 4.485 -8.798 7.201 23 HA SER 4 HA SER 4 4.435 -10.608 9.590 24 HB2 SER 4 2HB SER 4 6.047 -8.053 9.219 25 HB3 SER 4 3HB SER 4 5.863 -8.934 10.741 26 HG SER 4 HG SER 4 6.998 -9.978 8.345 27 H GLU 5 H GLU 5 3.457 -9.768 11.474 28 HA GLU 5 HA GLU 5 1.557 -7.482 11.059 29 HB2 GLU 5 2HB GLU 5 1.335 -9.881 12.904 30 HB3 GLU 5 3HB GLU 5 0.172 -8.559 12.778 31 HG2 GLU 5 2HG GLU 5 -0.107 -9.120 10.372 32 HG3 GLU 5 3HG GLU 5 0.873 -10.560 10.647 33 H LYS 6 H LYS 6 4.449 -8.078 12.550 34 HA LYS 6 HA LYS 6 3.968 -6.460 14.987 35 HB2 LYS 6 2HB LYS 6 5.254 -8.648 14.918 36 HB3 LYS 6 3HB LYS 6 6.533 -7.800 14.043 37 HG2 LYS 6 2HG LYS 6 6.901 -6.322 15.981 38 HG3 LYS 6 3HG LYS 6 5.497 -7.026 16.809 39 HD2 LYS 6 2HD LYS 6 6.653 -9.227 16.883 40 HD3 LYS 6 3HD LYS 6 8.005 -8.549 15.970 41 HE2 LYS 6 2HE LYS 6 8.674 -8.619 18.259 42 HE3 LYS 6 3HE LYS 6 8.434 -6.926 17.821 43 HZ1 LYS 6 3HZ LYS 6 6.478 -8.598 19.319 44 HZ2 LYS 6 1HZ LYS 6 6.269 -7.017 18.947 45 HZ3 LYS 6 2HZ LYS 6 7.445 -7.465 19.982 46 H SER 7 H SER 7 4.649 -5.741 11.830 47 HA SER 7 HA SER 7 6.674 -3.685 12.060 48 HB2 SER 7 2HB SER 7 6.092 -3.233 9.722 49 HB3 SER 7 3HB SER 7 6.289 -4.971 10.017 50 HG SER 7 HG SER 7 4.432 -4.564 8.789 51 H ALA 8 H ALA 8 6.260 -1.435 11.311 52 HA ALA 8 HA ALA 8 4.054 -0.174 12.765 53 HB1 ALA 8 3HB ALA 8 6.318 0.764 12.830 54 HB2 ALA 8 1HB ALA 8 6.287 0.999 11.069 55 HB3 ALA 8 2HB ALA 8 5.174 1.911 12.108 56 H THR 9 H THR 9 2.693 -1.683 11.183 57 HA THR 9 HA THR 9 1.670 0.030 8.958 58 HB THR 9 HB THR 9 0.741 -2.016 7.930 59 HG1 THR 9 HG1 THR 9 2.547 -3.505 9.490 60 HG21 THR 9 3HG2 THR 9 3.759 -2.100 8.223 61 HG22 THR 9 1HG2 THR 9 2.839 -1.082 7.088 62 HG23 THR 9 2HG2 THR 9 2.797 -2.844 6.930 63 H ILE 10 H ILE 10 -0.576 -0.033 8.529 64 HA ILE 10 HA ILE 10 -2.330 -0.940 10.776 65 HB ILE 10 HB ILE 10 -3.881 0.865 10.258 66 HG12 ILE 10 2HG1 ILE 10 -1.723 2.012 8.428 67 HG13 ILE 10 3HG1 ILE 10 -3.223 1.256 7.890 68 HG21 ILE 10 1HG2 ILE 10 -2.679 2.615 11.421 69 HG22 ILE 10 2HG2 ILE 10 -2.137 1.056 12.047 70 HG23 ILE 10 3HG2 ILE 10 -1.111 1.956 10.908 71 HD11 ILE 10 3HD1 ILE 10 -3.491 3.639 7.788 72 HD12 ILE 10 1HD1 ILE 10 -4.532 3.011 9.082 73 HD13 ILE 10 2HD1 ILE 10 -3.001 3.835 9.478 74 H LYS 11 H LYS 11 -4.387 -1.761 10.232 75 HA LYS 11 HA LYS 11 -4.639 -2.841 7.449 76 HB2 LYS 11 2HB LYS 11 -6.041 -3.650 10.025 77 HB3 LYS 11 3HB LYS 11 -6.358 -4.335 8.424 78 HG2 LYS 11 2HG LYS 11 -4.017 -5.141 8.284 79 HG3 LYS 11 3HG LYS 11 -3.682 -4.461 9.889 80 HD2 LYS 11 2HD LYS 11 -5.450 -5.923 10.865 81 HD3 LYS 11 3HD LYS 11 -5.716 -6.647 9.264 82 HE2 LYS 11 2HE LYS 11 -3.356 -7.414 9.215 83 HE3 LYS 11 3HE LYS 11 -3.070 -6.656 10.788 84 HZ1 LYS 11 3HZ LYS 11 -4.949 -8.902 10.288 85 HZ2 LYS 11 1HZ LYS 11 -4.731 -8.176 11.739 86 HZ3 LYS 11 2HZ LYS 11 -3.507 -9.012 11.055 87 H VAL 12 H VAL 12 -6.213 -2.143 6.116 88 HA VAL 12 HA VAL 12 -8.375 -0.363 7.162 89 HB VAL 12 HB VAL 12 -8.018 1.258 5.389 90 HG11 VAL 12 1HG1 VAL 12 -5.463 0.878 6.999 91 HG12 VAL 12 2HG1 VAL 12 -6.083 2.382 6.306 92 HG13 VAL 12 3HG1 VAL 12 -6.969 1.594 7.616 93 HG21 VAL 12 3HG2 VAL 12 -6.884 -0.078 3.665 94 HG22 VAL 12 1HG2 VAL 12 -5.920 1.338 4.085 95 HG23 VAL 12 2HG2 VAL 12 -5.460 -0.261 4.709 96 H THR 13 H THR 13 -10.244 -0.213 5.917 97 HA THR 13 HA THR 13 -10.512 -1.855 3.466 98 HB THR 13 HB THR 13 -12.634 -2.820 4.248 99 HG1 THR 13 HG1 THR 13 -13.063 -2.772 6.493 100 HG21 THR 13 3HG2 THR 13 -10.545 -4.153 4.481 101 HG22 THR 13 1HG2 THR 13 -11.780 -4.565 5.681 102 HG23 THR 13 2HG2 THR 13 -10.385 -3.573 6.154 103 H ASP 14 H ASP 14 -12.524 -1.413 2.324 104 HA ASP 14 HA ASP 14 -12.952 1.185 1.630 105 HB2 ASP 14 2HB ASP 14 -13.615 -0.779 0.352 106 HB3 ASP 14 3HB ASP 14 -14.876 -1.176 1.503 107 H ALA 15 H ALA 15 -14.583 -0.381 4.361 108 HA ALA 15 HA ALA 15 -16.691 1.537 4.710 109 HB1 ALA 15 3HB ALA 15 -16.918 0.451 6.912 110 HB2 ALA 15 1HB ALA 15 -16.720 -0.755 5.626 111 HB3 ALA 15 2HB ALA 15 -15.350 -0.354 6.692 112 H SER 16 H SER 16 -13.293 1.694 5.552 113 HA SER 16 HA SER 16 -13.711 4.256 7.052 114 HB2 SER 16 2HB SER 16 -11.816 2.010 7.822 115 HB3 SER 16 3HB SER 16 -11.991 3.576 8.644 116 HG SER 16 HG SER 16 -13.183 1.909 9.681 117 H PHE 17 H PHE 17 -12.255 2.930 4.381 118 HA PHE 17 HA PHE 17 -9.611 3.712 4.251 119 HB2 PHE 17 2HB PHE 17 -11.239 2.450 2.634 120 HB3 PHE 17 3HB PHE 17 -11.579 4.019 1.949 121 HD1 PHE 17 HD1 PHE 17 -9.741 5.258 0.746 122 HD2 PHE 17 HD2 PHE 17 -9.230 1.250 2.242 123 HE1 PHE 17 HE1 PHE 17 -7.775 4.948 -0.743 124 HE2 PHE 17 HE2 PHE 17 -7.314 0.919 0.711 125 HZ PHE 17 HZ PHE 17 -6.557 2.792 -0.761 126 H ALA 18 H ALA 18 -12.443 5.820 3.515 127 HA ALA 18 HA ALA 18 -10.829 8.034 2.751 128 HB1 ALA 18 3HB ALA 18 -12.924 9.313 2.849 129 HB2 ALA 18 1HB ALA 18 -13.132 7.761 2.017 130 HB3 ALA 18 2HB ALA 18 -13.717 7.960 3.691 131 H THR 19 H THR 19 -12.004 6.991 5.905 132 HA THR 19 HA THR 19 -11.192 9.409 7.336 133 HB THR 19 HB THR 19 -11.875 6.677 8.486 134 HG1 THR 19 HG1 THR 19 -13.993 7.453 8.585 135 HG21 THR 19 3HG2 THR 19 -10.999 8.251 10.160 136 HG22 THR 19 1HG2 THR 19 -12.733 8.029 10.398 137 HG23 THR 19 2HG2 THR 19 -12.133 9.505 9.608 138 H ASP 20 H ASP 20 -9.741 6.260 6.605 139 HA ASP 20 HA ASP 20 -7.580 6.668 8.568 140 HB2 ASP 20 2HB ASP 20 -8.280 4.374 6.704 141 HB3 ASP 20 3HB ASP 20 -6.911 4.370 7.810 142 H VAL 21 H VAL 21 -7.784 6.445 4.991 143 HA VAL 21 HA VAL 21 -4.852 7.065 4.875 144 HB VAL 21 HB VAL 21 -4.792 5.651 2.805 145 HG11 VAL 21 1HG1 VAL 21 -3.875 4.854 4.928 146 HG12 VAL 21 2HG1 VAL 21 -5.477 4.329 5.455 147 HG13 VAL 21 3HG1 VAL 21 -4.683 3.521 4.093 148 HG21 VAL 21 3HG2 VAL 21 -7.230 5.505 2.365 149 HG22 VAL 21 1HG2 VAL 21 -6.436 3.929 2.466 150 HG23 VAL 21 2HG2 VAL 21 -7.400 4.494 3.827 151 H LEU 22 H LEU 22 -7.962 7.819 3.325 152 HA LEU 22 HA LEU 22 -6.601 9.685 1.485 153 HB2 LEU 22 2HB LEU 22 -9.557 9.574 2.108 154 HB3 LEU 22 3HB LEU 22 -8.783 10.368 0.758 155 HG LEU 22 HG LEU 22 -8.983 7.362 1.179 156 HD11 LEU 22 1HD1 LEU 22 -10.179 9.195 -0.934 157 HD12 LEU 22 2HD1 LEU 22 -11.061 8.479 0.430 158 HD13 LEU 22 3HD1 LEU 22 -10.381 7.434 -0.827 159 HD21 LEU 22 3HD2 LEU 22 -7.654 8.948 -1.070 160 HD22 LEU 22 1HD2 LEU 22 -7.998 7.214 -1.124 161 HD23 LEU 22 2HD2 LEU 22 -6.847 7.836 0.060 162 H SER 23 H SER 23 -7.443 9.813 4.781 163 HA SER 23 HA SER 23 -8.444 12.480 4.960 164 HB2 SER 23 2HB SER 23 -8.197 12.094 7.401 165 HB3 SER 23 3HB SER 23 -9.030 10.781 6.553 166 HG SER 23 HG SER 23 -7.540 9.837 7.866 167 H SER 24 H SER 24 -5.137 11.359 4.850 168 HA SER 24 HA SER 24 -4.163 13.639 6.449 169 HB2 SER 24 2HB SER 24 -3.495 11.288 6.934 170 HB3 SER 24 3HB SER 24 -2.516 11.337 5.446 171 HG SER 24 HG SER 24 -1.513 12.025 7.549 172 H ASN 25 H ASN 25 -2.773 15.190 5.845 173 HA ASN 25 HA ASN 25 -2.208 15.623 2.979 174 HB2 ASN 25 2HB ASN 25 -1.464 17.811 3.626 175 HB3 ASN 25 3HB ASN 25 -3.045 17.497 4.328 176 HD21 ASN 25 1HD2 ASN 25 -1.678 19.580 5.352 177 HD22 ASN 25 2HD2 ASN 25 -1.038 19.164 6.937 178 H LYS 26 H LYS 26 -0.659 14.149 5.636 179 HA LYS 26 HA LYS 26 2.098 14.194 4.640 180 HB2 LYS 26 2HB LYS 26 1.508 13.710 7.003 181 HB3 LYS 26 3HB LYS 26 0.530 12.337 6.475 182 HG2 LYS 26 2HG LYS 26 2.580 11.215 5.632 183 HG3 LYS 26 3HG LYS 26 3.554 12.543 6.293 184 HD2 LYS 26 2HD LYS 26 2.828 11.986 8.556 185 HD3 LYS 26 3HD LYS 26 1.619 10.836 7.932 186 HE2 LYS 26 2HE LYS 26 3.423 9.506 6.891 187 HE3 LYS 26 3HE LYS 26 4.639 10.585 7.616 188 HZ1 LYS 26 3HZ LYS 26 2.759 8.753 8.990 189 HZ2 LYS 26 1HZ LYS 26 3.581 9.919 9.819 190 HZ3 LYS 26 2HZ LYS 26 4.392 8.715 9.066 191 HA PRO 27 HA PRO 27 1.278 11.149 1.446 192 HB2 PRO 27 2HB PRO 27 3.905 9.855 1.880 193 HB3 PRO 27 3HB PRO 27 3.255 10.625 0.412 194 HG2 PRO 27 2HG PRO 27 5.221 11.788 1.979 195 HG3 PRO 27 3HG PRO 27 4.014 12.735 1.063 196 HD2 PRO 27 2HD PRO 27 4.042 12.054 3.991 197 HD3 PRO 27 3HD PRO 27 3.568 13.578 3.182 198 H VAL 28 H VAL 28 0.202 9.183 1.512 199 HA VAL 28 HA VAL 28 0.810 7.258 3.707 200 HB VAL 28 HB VAL 28 -1.953 8.323 3.055 201 HG11 VAL 28 1HG1 VAL 28 -2.627 6.818 4.969 202 HG12 VAL 28 2HG1 VAL 28 -2.107 5.937 3.528 203 HG13 VAL 28 3HG1 VAL 28 -1.011 6.092 4.919 204 HG21 VAL 28 3HG2 VAL 28 -0.808 9.877 4.500 205 HG22 VAL 28 1HG2 VAL 28 -1.956 8.967 5.478 206 HG23 VAL 28 2HG2 VAL 28 -0.222 8.577 5.545 207 H LEU 29 H LEU 29 1.074 5.332 3.000 208 HA LEU 29 HA LEU 29 0.593 4.687 0.145 209 HB2 LEU 29 2HB LEU 29 2.896 4.883 1.376 210 HB3 LEU 29 3HB LEU 29 2.469 3.355 2.117 211 HG LEU 29 HG LEU 29 2.866 3.897 -0.859 212 HD11 LEU 29 1HD1 LEU 29 4.476 2.292 1.179 213 HD12 LEU 29 2HD1 LEU 29 4.921 3.883 0.520 214 HD13 LEU 29 3HD1 LEU 29 4.843 2.470 -0.546 215 HD21 LEU 29 3HD2 LEU 29 1.301 2.076 -0.794 216 HD22 LEU 29 1HD2 LEU 29 2.140 1.307 0.581 217 HD23 LEU 29 2HD2 LEU 29 2.877 1.360 -1.032 218 H VAL 30 H VAL 30 -0.749 3.017 -0.388 219 HA VAL 30 HA VAL 30 -1.608 1.117 1.749 220 HB VAL 30 HB VAL 30 -3.402 1.983 -0.520 221 HG11 VAL 30 1HG1 VAL 30 -3.901 -0.200 0.524 222 HG12 VAL 30 2HG1 VAL 30 -3.873 0.551 2.137 223 HG13 VAL 30 3HG1 VAL 30 -5.121 0.993 0.961 224 HG21 VAL 30 3HG2 VAL 30 -3.274 3.092 2.307 225 HG22 VAL 30 1HG2 VAL 30 -3.068 3.995 0.795 226 HG23 VAL 30 2HG2 VAL 30 -4.642 3.308 1.190 227 H ASP 31 H ASP 31 -1.116 -0.905 1.391 228 HA ASP 31 HA ASP 31 -0.403 -1.855 -1.347 229 HB2 ASP 31 2HB ASP 31 1.387 -2.102 0.174 230 HB3 ASP 31 3HB ASP 31 0.355 -2.766 1.435 231 H PHE 32 H PHE 32 -1.786 -2.980 -2.420 232 HA PHE 32 HA PHE 32 -3.951 -4.594 -1.150 233 HB2 PHE 32 2HB PHE 32 -3.597 -3.646 -4.013 234 HB3 PHE 32 3HB PHE 32 -4.940 -4.578 -3.386 235 HD1 PHE 32 HD1 PHE 32 -3.174 -1.261 -2.994 236 HD2 PHE 32 HD2 PHE 32 -6.849 -3.467 -2.535 237 HE1 PHE 32 HE1 PHE 32 -4.363 0.825 -2.420 238 HE2 PHE 32 HE2 PHE 32 -8.024 -1.366 -1.969 239 HZ PHE 32 HZ PHE 32 -6.790 0.791 -1.929 240 H TRP 33 H TRP 33 -3.426 -6.629 -0.824 241 HA TRP 33 HA TRP 33 -1.659 -8.128 -2.700 242 HB2 TRP 33 2HB TRP 33 -0.153 -8.691 -0.962 243 HB3 TRP 33 3HB TRP 33 -0.343 -6.960 -0.879 244 HD1 TRP 33 HD1 TRP 33 -2.193 -6.149 1.100 245 HE1 TRP 33 HE1 TRP 33 -2.665 -7.122 3.429 246 HE3 TRP 33 HE3 TRP 33 0.252 -10.621 0.616 247 HZ2 TRP 33 HZ2 TRP 33 -2.036 -9.521 4.903 248 HZ3 TRP 33 HZ3 TRP 33 0.364 -12.193 2.530 249 HH2 TRP 33 HH2 TRP 33 -0.826 -11.690 4.641 250 H ALA 34 H ALA 34 -1.444 -10.530 -1.794 251 HA ALA 34 HA ALA 34 -3.690 -11.315 -0.075 252 HB1 ALA 34 3HB ALA 34 -4.602 -11.665 -2.371 253 HB2 ALA 34 1HB ALA 34 -3.228 -12.722 -2.743 254 HB3 ALA 34 2HB ALA 34 -4.400 -13.176 -1.488 255 H THR 35 H THR 35 -3.226 -12.925 1.307 256 HA THR 35 HA THR 35 -0.598 -13.957 1.566 257 HB THR 35 HB THR 35 -2.331 -13.762 3.352 258 HG1 THR 35 HG1 THR 35 -1.598 -15.662 4.397 259 HG21 THR 35 3HG2 THR 35 -3.295 -16.475 2.343 260 HG22 THR 35 1HG2 THR 35 -4.205 -14.952 2.193 261 HG23 THR 35 2HG2 THR 35 -3.838 -15.607 3.794 262 H TRP 36 H TRP 36 -3.158 -15.109 -0.510 263 HA TRP 36 HA TRP 36 -1.848 -17.680 -1.032 264 HB2 TRP 36 2HB TRP 36 -3.658 -17.970 -2.699 265 HB3 TRP 36 3HB TRP 36 -4.152 -17.773 -1.042 266 HD1 TRP 36 HD1 TRP 36 -6.160 -16.364 -0.678 267 HE1 TRP 36 HE1 TRP 36 -7.605 -14.787 -2.028 268 HE3 TRP 36 HE3 TRP 36 -3.039 -15.638 -4.714 269 HZ2 TRP 36 HZ2 TRP 36 -7.364 -13.184 -4.405 270 HZ3 TRP 36 HZ3 TRP 36 -3.624 -13.905 -6.404 271 HH2 TRP 36 HH2 TRP 36 -5.804 -12.744 -6.307 272 H CYS 37 H CYS 37 -0.962 -14.626 -2.036 273 HA CYS 37 HA CYS 37 -0.236 -15.497 -4.800 274 HB2 CYS 37 2HB CYS 37 -1.711 -13.556 -4.574 275 HB3 CYS 37 3HB CYS 37 -0.525 -12.752 -3.552 276 HG CYS 37 HG CYS 37 -0.284 -13.746 -6.720 277 H GLY 38 H GLY 38 1.799 -16.127 -5.163 278 HA2 GLY 38 2HA GLY 38 3.935 -15.955 -3.302 279 HA3 GLY 38 3HA GLY 38 4.086 -16.365 -5.006 280 HA PRO 39 HA PRO 39 5.718 -12.224 -5.897 281 HB2 PRO 39 2HB PRO 39 3.095 -11.290 -7.065 282 HB3 PRO 39 3HB PRO 39 4.755 -11.033 -7.690 283 HG2 PRO 39 2HG PRO 39 3.219 -12.977 -8.762 284 HG3 PRO 39 3HG PRO 39 4.928 -13.339 -8.352 285 HD2 PRO 39 2HD PRO 39 2.434 -14.023 -6.787 286 HD3 PRO 39 3HD PRO 39 3.864 -15.033 -7.120 287 H CYS 40 H CYS 40 2.456 -12.107 -4.377 288 HA CYS 40 HA CYS 40 2.876 -9.553 -3.057 289 HB2 CYS 40 2HB CYS 40 1.045 -11.883 -2.366 290 HB3 CYS 40 3HB CYS 40 1.113 -10.360 -1.493 291 HG CYS 40 HG CYS 40 0.517 -10.798 -4.731 292 H LYS 41 H LYS 41 3.401 -12.967 -1.988 293 HA LYS 41 HA LYS 41 4.569 -12.325 0.555 294 HB2 LYS 41 2HB LYS 41 5.042 -14.688 -1.320 295 HB3 LYS 41 3HB LYS 41 5.654 -14.608 0.319 296 HG2 LYS 41 2HG LYS 41 2.687 -14.427 -0.335 297 HG3 LYS 41 3HG LYS 41 3.536 -15.943 -0.029 298 HD2 LYS 41 2HD LYS 41 4.157 -15.199 2.227 299 HD3 LYS 41 3HD LYS 41 3.360 -13.626 1.954 300 HE2 LYS 41 2HE LYS 41 1.230 -14.783 1.518 301 HE3 LYS 41 3HE LYS 41 1.989 -16.346 1.794 302 HZ1 LYS 41 3HZ LYS 41 1.851 -14.201 3.865 303 HZ2 LYS 41 1HZ LYS 41 2.362 -15.731 4.090 304 HZ3 LYS 41 2HZ LYS 41 0.776 -15.436 3.747 305 H MET 42 H MET 42 6.029 -12.393 -2.660 306 HA MET 42 HA MET 42 8.739 -12.049 -1.798 307 HB2 MET 42 2HB MET 42 7.967 -12.914 -4.003 308 HB3 MET 42 3HB MET 42 7.501 -11.279 -4.471 309 HG2 MET 42 2HG MET 42 10.313 -12.030 -3.600 310 HG3 MET 42 3HG MET 42 9.755 -12.167 -5.263 311 HE1 MET 42 3HE MET 42 11.864 -10.748 -6.018 312 HE2 MET 42 1HE MET 42 12.244 -9.134 -5.377 313 HE3 MET 42 2HE MET 42 12.361 -10.558 -4.320 314 H VAL 43 H VAL 43 6.338 -9.570 -2.933 315 HA VAL 43 HA VAL 43 8.223 -7.427 -2.309 316 HB VAL 43 HB VAL 43 6.586 -7.415 -4.199 317 HG11 VAL 43 1HG1 VAL 43 4.570 -6.538 -2.092 318 HG12 VAL 43 2HG1 VAL 43 4.357 -6.544 -3.849 319 HG13 VAL 43 3HG1 VAL 43 4.541 -8.075 -2.982 320 HG21 VAL 43 3HG2 VAL 43 6.265 -5.014 -4.162 321 HG22 VAL 43 1HG2 VAL 43 6.523 -4.962 -2.411 322 HG23 VAL 43 2HG2 VAL 43 7.854 -5.419 -3.485 323 H ALA 44 H ALA 44 5.655 -8.971 -0.483 324 HA ALA 44 HA ALA 44 4.913 -7.063 1.324 325 HB1 ALA 44 3HB ALA 44 5.424 -10.018 1.816 326 HB2 ALA 44 1HB ALA 44 4.587 -8.926 2.940 327 HB3 ALA 44 2HB ALA 44 3.905 -9.226 1.340 328 HA PRO 45 HA PRO 45 8.619 -7.631 4.325 329 HB2 PRO 45 2HB PRO 45 11.012 -8.625 3.421 330 HB3 PRO 45 3HB PRO 45 9.726 -9.616 4.177 331 HG2 PRO 45 2HG PRO 45 10.238 -9.178 1.217 332 HG3 PRO 45 3HG PRO 45 9.989 -10.724 2.092 333 HD2 PRO 45 2HD PRO 45 7.953 -9.534 0.797 334 HD3 PRO 45 3HD PRO 45 7.673 -10.287 2.386 335 H VAL 46 H VAL 46 9.130 -6.767 0.910 336 HA VAL 46 HA VAL 46 11.200 -4.790 1.404 337 HB VAL 46 HB VAL 46 9.254 -4.819 -0.945 338 HG11 VAL 46 1HG1 VAL 46 11.069 -3.647 -2.076 339 HG12 VAL 46 2HG1 VAL 46 10.608 -2.752 -0.621 340 HG13 VAL 46 3HG1 VAL 46 12.054 -3.779 -0.591 341 HG21 VAL 46 3HG2 VAL 46 11.021 -6.072 -2.162 342 HG22 VAL 46 1HG2 VAL 46 11.930 -6.260 -0.644 343 HG23 VAL 46 2HG2 VAL 46 10.341 -7.030 -0.852 344 H LEU 47 H LEU 47 7.637 -4.549 0.900 345 HA LEU 47 HA LEU 47 7.652 -1.768 1.732 346 HB2 LEU 47 2HB LEU 47 5.296 -1.748 1.395 347 HB3 LEU 47 3HB LEU 47 6.157 -2.475 0.056 348 HG LEU 47 HG LEU 47 5.520 -4.767 1.247 349 HD11 LEU 47 1HD1 LEU 47 3.333 -2.895 2.250 350 HD12 LEU 47 2HD1 LEU 47 4.484 -3.787 3.270 351 HD13 LEU 47 3HD1 LEU 47 3.297 -4.669 2.305 352 HD21 LEU 47 3HD2 LEU 47 3.522 -3.092 -0.288 353 HD22 LEU 47 1HD2 LEU 47 3.514 -4.865 -0.115 354 HD23 LEU 47 2HD2 LEU 47 4.827 -4.075 -0.986 355 H GLU 48 H GLU 48 7.434 -4.744 3.529 356 HA GLU 48 HA GLU 48 6.544 -3.634 6.022 357 HB2 GLU 48 2HB GLU 48 7.213 -6.154 5.160 358 HB3 GLU 48 3HB GLU 48 8.671 -5.751 6.038 359 HG2 GLU 48 2HG GLU 48 7.284 -6.854 7.571 360 HG3 GLU 48 3HG GLU 48 7.099 -5.148 7.984 361 H GLU 49 H GLU 49 9.839 -3.898 4.560 362 HA GLU 49 HA GLU 49 11.173 -2.427 6.663 363 HB2 GLU 49 2HB GLU 49 11.891 -2.925 3.750 364 HB3 GLU 49 3HB GLU 49 12.852 -1.918 4.833 365 HG2 GLU 49 2HG GLU 49 13.136 -3.808 6.389 366 HG3 GLU 49 3HG GLU 49 12.177 -4.842 5.328 367 H ILE 50 H ILE 50 9.684 -1.311 3.532 368 HA ILE 50 HA ILE 50 10.202 1.460 3.949 369 HB ILE 50 HB ILE 50 7.743 0.159 2.729 370 HG12 ILE 50 2HG1 ILE 50 9.726 -0.462 1.470 371 HG13 ILE 50 3HG1 ILE 50 8.732 0.636 0.550 372 HG21 ILE 50 1HG2 ILE 50 7.194 2.462 3.339 373 HG22 ILE 50 2HG2 ILE 50 8.604 3.054 2.446 374 HG23 ILE 50 3HG2 ILE 50 7.258 2.234 1.609 375 HD11 ILE 50 3HD1 ILE 50 11.330 1.338 1.989 376 HD12 ILE 50 1HD1 ILE 50 11.098 1.127 0.246 377 HD13 ILE 50 2HD1 ILE 50 10.328 2.490 1.071 378 H ALA 51 H ALA 51 7.403 -0.457 5.200 379 HA ALA 51 HA ALA 51 6.142 1.657 6.581 380 HB1 ALA 51 3HB ALA 51 6.249 -1.301 7.337 381 HB2 ALA 51 1HB ALA 51 5.014 -0.118 7.801 382 HB3 ALA 51 2HB ALA 51 5.186 -0.613 6.101 383 H THR 52 H THR 52 8.677 -0.577 7.735 384 HA THR 52 HA THR 52 8.583 0.429 10.466 385 HB THR 52 HB THR 52 10.655 -1.348 9.127 386 HG1 THR 52 HG1 THR 52 8.730 -2.345 8.984 387 HG21 THR 52 3HG2 THR 52 9.917 -0.940 12.062 388 HG22 THR 52 1HG2 THR 52 11.466 -0.519 11.295 389 HG23 THR 52 2HG2 THR 52 10.988 -2.216 11.438 390 H GLU 53 H GLU 53 10.708 1.040 7.670 391 HA GLU 53 HA GLU 53 12.568 2.687 9.225 392 HB2 GLU 53 2HB GLU 53 12.344 2.124 6.245 393 HB3 GLU 53 3HB GLU 53 13.667 2.979 7.035 394 HG2 GLU 53 2HG GLU 53 14.039 0.901 8.456 395 HG3 GLU 53 3HG GLU 53 12.926 0.044 7.428 396 H ARG 54 H ARG 54 9.992 3.333 6.823 397 HA ARG 54 HA ARG 54 10.743 6.209 6.747 398 HB2 ARG 54 2HB ARG 54 8.761 4.809 4.935 399 HB3 ARG 54 3HB ARG 54 9.561 6.335 4.660 400 HG2 ARG 54 2HG ARG 54 10.862 3.575 4.665 401 HG3 ARG 54 3HG ARG 54 10.511 4.546 3.248 402 HD2 ARG 54 2HD ARG 54 12.278 5.994 3.599 403 HD3 ARG 54 3HD ARG 54 12.302 5.748 5.351 404 HE ARG 54 HE ARG 54 13.012 3.268 4.325 405 HH11 ARG 54 1HH1 ARG 54 14.406 6.466 4.074 406 HH12 ARG 54 2HH1 ARG 54 16.036 5.853 4.118 407 HH21 ARG 54 1HH2 ARG 54 15.090 2.565 4.529 408 HH22 ARG 54 2HH2 ARG 54 16.406 3.682 4.273 409 H ALA 55 H ALA 55 8.959 4.738 8.855 410 HA ALA 55 HA ALA 55 6.335 5.518 8.755 411 HB1 ALA 55 3HB ALA 55 6.365 5.290 11.209 412 HB2 ALA 55 1HB ALA 55 7.345 4.028 10.448 413 HB3 ALA 55 2HB ALA 55 8.138 5.421 11.215 414 H THR 56 H THR 56 9.021 7.685 9.683 415 HA THR 56 HA THR 56 7.241 9.865 10.520 416 HB THR 56 HB THR 56 9.416 11.140 10.668 417 HG1 THR 56 HG1 THR 56 11.294 9.899 10.533 418 HG21 THR 56 3HG2 THR 56 9.324 8.490 12.184 419 HG22 THR 56 1HG2 THR 56 8.440 9.967 12.627 420 HG23 THR 56 2HG2 THR 56 10.211 9.956 12.659 421 H ASP 57 H ASP 57 8.585 8.816 7.504 422 HA ASP 57 HA ASP 57 8.288 11.474 6.199 423 HB2 ASP 57 2HB ASP 57 9.194 8.812 5.035 424 HB3 ASP 57 3HB ASP 57 9.289 10.395 4.277 425 H LEU 58 H LEU 58 6.933 8.176 6.123 426 HA LEU 58 HA LEU 58 4.394 9.148 5.067 427 HB2 LEU 58 2HB LEU 58 4.314 7.500 3.237 428 HB3 LEU 58 3HB LEU 58 5.455 8.817 3.030 429 HG LEU 58 HG LEU 58 7.347 7.333 3.418 430 HD11 LEU 58 1HD1 LEU 58 5.204 5.153 3.561 431 HD12 LEU 58 2HD1 LEU 58 6.428 5.537 4.800 432 HD13 LEU 58 3HD1 LEU 58 6.928 4.848 3.263 433 HD21 LEU 58 3HD2 LEU 58 7.148 6.128 1.296 434 HD22 LEU 58 1HD2 LEU 58 6.471 7.756 1.158 435 HD23 LEU 58 2HD2 LEU 58 5.384 6.357 1.307 436 H THR 59 H THR 59 2.634 7.655 5.326 437 HA THR 59 HA THR 59 3.108 5.633 7.505 438 HB THR 59 HB THR 59 0.466 6.787 6.573 439 HG1 THR 59 HG1 THR 59 0.578 7.998 8.457 440 HG21 THR 59 3HG2 THR 59 0.183 4.638 7.727 441 HG22 THR 59 1HG2 THR 59 -0.343 5.955 8.776 442 HG23 THR 59 2HG2 THR 59 1.236 5.189 9.054 443 H VAL 60 H VAL 60 2.619 3.433 7.152 444 HA VAL 60 HA VAL 60 1.733 2.729 4.379 445 HB VAL 60 HB VAL 60 3.606 1.137 6.148 446 HG11 VAL 60 1HG1 VAL 60 3.887 -0.251 4.080 447 HG12 VAL 60 2HG1 VAL 60 2.245 -0.353 4.711 448 HG13 VAL 60 3HG1 VAL 60 2.588 0.669 3.297 449 HG21 VAL 60 3HG2 VAL 60 4.084 2.759 3.609 450 HG22 VAL 60 1HG2 VAL 60 4.746 3.092 5.220 451 HG23 VAL 60 2HG2 VAL 60 5.247 1.643 4.340 452 H ALA 61 H ALA 61 -0.008 1.604 4.091 453 HA ALA 61 HA ALA 61 -1.321 0.157 6.336 454 HB1 ALA 61 3HB ALA 61 -2.608 1.773 4.099 455 HB2 ALA 61 1HB ALA 61 -3.456 0.932 5.414 456 HB3 ALA 61 2HB ALA 61 -2.417 2.327 5.772 457 H LYS 62 H LYS 62 -2.540 -1.711 5.773 458 HA LYS 62 HA LYS 62 -1.939 -2.930 3.099 459 HB2 LYS 62 2HB LYS 62 -1.662 -4.300 5.800 460 HB3 LYS 62 3HB LYS 62 -1.463 -5.057 4.212 461 HG2 LYS 62 2HG LYS 62 0.372 -3.365 3.730 462 HG3 LYS 62 3HG LYS 62 0.282 -2.865 5.419 463 HD2 LYS 62 2HD LYS 62 0.995 -5.653 4.414 464 HD3 LYS 62 3HD LYS 62 2.130 -4.418 4.973 465 HE2 LYS 62 2HE LYS 62 0.918 -4.451 7.218 466 HE3 LYS 62 3HE LYS 62 0.031 -5.869 6.638 467 HZ1 LYS 62 3HZ LYS 62 2.251 -6.941 6.302 468 HZ2 LYS 62 1HZ LYS 62 2.024 -6.556 7.871 469 HZ3 LYS 62 2HZ LYS 62 2.991 -5.648 6.946 470 H LEU 63 H LEU 63 -3.417 -4.088 2.131 471 HA LEU 63 HA LEU 63 -5.988 -4.829 3.470 472 HB2 LEU 63 2HB LEU 63 -6.324 -2.748 2.308 473 HB3 LEU 63 3HB LEU 63 -5.499 -3.315 0.875 474 HG LEU 63 HG LEU 63 -7.941 -3.057 0.679 475 HD11 LEU 63 1HD1 LEU 63 -6.560 -4.702 -0.737 476 HD12 LEU 63 2HD1 LEU 63 -8.335 -4.855 -0.741 477 HD13 LEU 63 3HD1 LEU 63 -7.349 -5.967 0.204 478 HD21 LEU 63 3HD2 LEU 63 -9.460 -4.776 1.527 479 HD22 LEU 63 1HD2 LEU 63 -8.694 -3.909 2.857 480 HD23 LEU 63 2HD2 LEU 63 -8.147 -5.544 2.431 481 H ASP 64 H ASP 64 -6.149 -7.018 3.364 482 HA ASP 64 HA ASP 64 -4.858 -8.511 1.168 483 HB2 ASP 64 2HB ASP 64 -4.883 -9.370 3.580 484 HB3 ASP 64 3HB ASP 64 -6.575 -9.690 3.340 485 H VAL 65 H VAL 65 -5.900 -8.806 -0.716 486 HA VAL 65 HA VAL 65 -8.587 -7.853 -1.080 487 HB VAL 65 HB VAL 65 -8.411 -8.430 -3.366 488 HG11 VAL 65 1HG1 VAL 65 -6.507 -7.156 -4.019 489 HG12 VAL 65 2HG1 VAL 65 -7.016 -6.514 -2.446 490 HG13 VAL 65 3HG1 VAL 65 -5.613 -7.573 -2.543 491 HG21 VAL 65 3HG2 VAL 65 -6.559 -9.666 -4.365 492 HG22 VAL 65 1HG2 VAL 65 -5.889 -9.991 -2.755 493 HG23 VAL 65 2HG2 VAL 65 -7.442 -10.707 -3.239 494 H ASP 66 H ASP 66 -7.493 -10.937 -0.026 495 HA ASP 66 HA ASP 66 -9.910 -12.391 -0.846 496 HB2 ASP 66 2HB ASP 66 -7.496 -13.306 -0.445 497 HB3 ASP 66 3HB ASP 66 -7.924 -13.263 1.265 498 H THR 67 H THR 67 -8.854 -10.445 1.924 499 HA THR 67 HA THR 67 -11.060 -11.471 3.628 500 HB THR 67 HB THR 67 -10.088 -10.264 5.444 501 HG1 THR 67 HG1 THR 67 -8.315 -8.984 5.220 502 HG21 THR 67 3HG2 THR 67 -9.043 -12.431 4.913 503 HG22 THR 67 1HG2 THR 67 -7.897 -11.295 5.643 504 HG23 THR 67 2HG2 THR 67 -7.844 -11.610 3.896 505 H ASN 68 H ASN 68 -10.187 -8.525 1.850 506 HA ASN 68 HA ASN 68 -13.080 -8.021 1.776 507 HB2 ASN 68 2HB ASN 68 -12.288 -6.589 3.623 508 HB3 ASN 68 3HB ASN 68 -11.205 -5.757 2.517 509 HD21 ASN 68 2HD2 ASN 68 -14.250 -5.574 3.921 510 HD22 ASN 68 1HD2 ASN 68 -14.998 -4.542 2.711 511 HA PRO 69 HA PRO 69 -11.302 -7.617 -2.419 512 HB2 PRO 69 2HB PRO 69 -13.453 -8.487 -3.857 513 HB3 PRO 69 3HB PRO 69 -12.358 -9.597 -2.983 514 HG2 PRO 69 2HG PRO 69 -15.025 -8.494 -2.040 515 HG3 PRO 69 3HG PRO 69 -14.469 -10.199 -2.034 516 HD2 PRO 69 2HD PRO 69 -14.300 -8.632 0.177 517 HD3 PRO 69 3HD PRO 69 -13.016 -9.816 -0.211 518 H GLU 70 H GLU 70 -14.168 -6.051 -1.041 519 HA GLU 70 HA GLU 70 -14.793 -4.505 -3.418 520 HB2 GLU 70 2HB GLU 70 -15.647 -4.103 -0.529 521 HB3 GLU 70 3HB GLU 70 -16.315 -3.263 -1.929 522 HG2 GLU 70 2HG GLU 70 -16.493 -6.246 -1.337 523 HG3 GLU 70 3HG GLU 70 -17.798 -5.071 -1.256 524 H THR 71 H THR 71 -12.688 -4.001 -0.654 525 HA THR 71 HA THR 71 -12.055 -1.220 -1.128 526 HB THR 71 HB THR 71 -10.092 -3.215 -0.032 527 HG1 THR 71 HG1 THR 71 -12.112 -3.476 1.048 528 HG21 THR 71 3HG2 THR 71 -9.341 -0.833 -0.304 529 HG22 THR 71 1HG2 THR 71 -9.455 -1.293 1.399 530 HG23 THR 71 2HG2 THR 71 -10.728 -0.302 0.654 531 H ALA 72 H ALA 72 -10.660 -4.243 -2.435 532 HA ALA 72 HA ALA 72 -8.689 -2.950 -4.129 533 HB1 ALA 72 3HB ALA 72 -8.630 -5.296 -3.239 534 HB2 ALA 72 1HB ALA 72 -9.912 -5.715 -4.387 535 HB3 ALA 72 2HB ALA 72 -8.332 -5.143 -4.976 536 H ARG 73 H ARG 73 -12.011 -4.032 -4.639 537 HA ARG 73 HA ARG 73 -12.082 -3.519 -7.430 538 HB2 ARG 73 2HB ARG 73 -13.656 -4.971 -6.124 539 HB3 ARG 73 3HB ARG 73 -14.309 -3.527 -5.345 540 HG2 ARG 73 2HG ARG 73 -15.097 -2.737 -7.622 541 HG3 ARG 73 3HG ARG 73 -14.587 -4.315 -8.269 542 HD2 ARG 73 2HD ARG 73 -16.075 -5.440 -6.604 543 HD3 ARG 73 3HD ARG 73 -16.535 -3.848 -5.972 544 HE ARG 73 HE ARG 73 -17.054 -4.175 -8.828 545 HH11 ARG 73 1HH2 ARG 73 -18.468 -4.639 -5.616 546 HH12 ARG 73 2HH2 ARG 73 -20.086 -4.668 -6.270 547 HH21 ARG 73 1HH1 ARG 73 -19.157 -4.205 -9.544 548 HH22 ARG 73 2HH1 ARG 73 -20.461 -4.423 -8.415 549 H ASN 74 H ASN 74 -13.038 -1.428 -4.690 550 HA ASN 74 HA ASN 74 -14.321 0.583 -6.119 551 HB2 ASN 74 2HB ASN 74 -14.358 0.276 -3.660 552 HB3 ASN 74 3HB ASN 74 -12.691 0.844 -3.550 553 HD21 ASN 74 1HD2 ASN 74 -12.336 3.120 -3.509 554 HD22 ASN 74 2HD2 ASN 74 -13.655 4.258 -3.696 555 H PHE 75 H PHE 75 -10.815 0.350 -5.519 556 HA PHE 75 HA PHE 75 -10.352 2.861 -7.054 557 HB2 PHE 75 2HB PHE 75 -8.464 1.267 -5.302 558 HB3 PHE 75 3HB PHE 75 -8.106 2.800 -6.089 559 HD1 PHE 75 HD1 PHE 75 -9.498 4.869 -5.480 560 HD2 PHE 75 HD2 PHE 75 -9.572 1.226 -3.174 561 HE1 PHE 75 HE1 PHE 75 -10.504 6.096 -3.567 562 HE2 PHE 75 HE2 PHE 75 -10.596 2.450 -1.273 563 HZ PHE 75 HZ PHE 75 -11.070 4.885 -1.470 564 H GLN 76 H GLN 76 -10.836 -0.153 -8.001 565 HA GLN 76 HA GLN 76 -10.084 -1.634 -9.488 566 HB2 GLN 76 2HB GLN 76 -10.882 0.279 -10.916 567 HB3 GLN 76 3HB GLN 76 -9.200 0.784 -11.095 568 HG2 GLN 76 2HG GLN 76 -9.740 -0.514 -13.028 569 HG3 GLN 76 3HG GLN 76 -8.693 -1.531 -12.043 570 HE21 GLN 76 1HE2 GLN 76 -12.092 -1.031 -13.093 571 HE22 GLN 76 2HE2 GLN 76 -12.605 -2.651 -12.643 572 H VAL 77 H VAL 77 -8.473 -1.981 -7.631 573 HA VAL 77 HA VAL 77 -5.730 -2.217 -8.782 574 HB VAL 77 HB VAL 77 -4.901 -1.919 -6.472 575 HG11 VAL 77 1HG1 VAL 77 -4.959 0.509 -6.432 576 HG12 VAL 77 2HG1 VAL 77 -4.707 -0.101 -8.070 577 HG13 VAL 77 3HG1 VAL 77 -6.305 0.513 -7.586 578 HG21 VAL 77 3HG2 VAL 77 -7.687 -0.855 -5.872 579 HG22 VAL 77 1HG2 VAL 77 -6.925 -2.311 -5.187 580 HG23 VAL 77 2HG2 VAL 77 -6.267 -0.706 -4.834 581 H VAL 78 H VAL 78 -7.927 -4.072 -8.896 582 HA VAL 78 HA VAL 78 -7.731 -6.064 -6.862 583 HB VAL 78 HB VAL 78 -9.145 -7.436 -8.336 584 HG11 VAL 78 1HG1 VAL 78 -10.169 -5.716 -6.906 585 HG12 VAL 78 2HG1 VAL 78 -10.064 -4.540 -8.240 586 HG13 VAL 78 3HG1 VAL 78 -11.088 -5.980 -8.393 587 HG21 VAL 78 3HG2 VAL 78 -9.962 -6.587 -10.484 588 HG22 VAL 78 1HG2 VAL 78 -8.867 -5.199 -10.394 589 HG23 VAL 78 2HG2 VAL 78 -8.217 -6.845 -10.554 590 H SER 79 H SER 79 -5.661 -5.529 -9.544 591 HA SER 79 HA SER 79 -5.240 -8.114 -10.515 592 HB2 SER 79 2HB SER 79 -3.276 -5.796 -10.580 593 HB3 SER 79 3HB SER 79 -3.339 -7.176 -11.695 594 HG SER 79 HG SER 79 -4.393 -5.355 -12.585 595 H ILE 80 H ILE 80 -3.387 -6.393 -8.084 596 HA ILE 80 HA ILE 80 -1.863 -6.775 -6.668 597 HB ILE 80 HB ILE 80 -1.963 -8.652 -5.180 598 HG12 ILE 80 2HG1 ILE 80 -3.973 -10.034 -6.943 599 HG13 ILE 80 3HG1 ILE 80 -2.256 -10.466 -6.845 600 HG21 ILE 80 1HG2 ILE 80 -3.657 -6.763 -5.162 601 HG22 ILE 80 2HG2 ILE 80 -4.778 -7.861 -5.984 602 HG23 ILE 80 3HG2 ILE 80 -4.167 -8.256 -4.367 603 HD11 ILE 80 3HD1 ILE 80 -4.335 -10.630 -4.657 604 HD12 ILE 80 1HD1 ILE 80 -3.264 -11.884 -5.308 605 HD13 ILE 80 2HD1 ILE 80 -2.595 -10.627 -4.290 606 HA PRO 81 HA PRO 81 -0.274 -7.155 -4.986 607 HB2 PRO 81 2HB PRO 81 2.297 -6.242 -4.829 608 HB3 PRO 81 3HB PRO 81 1.809 -7.860 -4.264 609 HG2 PRO 81 2HG PRO 81 3.066 -7.102 -6.911 610 HG3 PRO 81 3HG PRO 81 3.509 -8.458 -5.829 611 HD2 PRO 81 2HD PRO 81 1.923 -8.828 -8.010 612 HD3 PRO 81 3HD PRO 81 1.612 -9.714 -6.488 613 H THR 82 H THR 82 -0.847 -5.034 -4.884 614 HA THR 82 HA THR 82 0.077 -3.156 -7.009 615 HB THR 82 HB THR 82 -2.825 -3.419 -6.152 616 HG1 THR 82 HG1 THR 82 -1.574 -4.198 -8.575 617 HG21 THR 82 3HG2 THR 82 -2.306 -1.166 -6.921 618 HG22 THR 82 1HG2 THR 82 -3.179 -2.014 -8.211 619 HG23 THR 82 2HG2 THR 82 -1.425 -1.797 -8.328 620 H LEU 83 H LEU 83 0.860 -1.367 -6.148 621 HA LEU 83 HA LEU 83 0.106 -0.596 -3.347 622 HB2 LEU 83 2HB LEU 83 2.703 -0.153 -4.864 623 HB3 LEU 83 3HB LEU 83 2.281 0.618 -3.352 624 HG LEU 83 HG LEU 83 2.215 -1.601 -2.219 625 HD11 LEU 83 1HD1 LEU 83 1.877 -3.210 -4.007 626 HD12 LEU 83 2HD1 LEU 83 3.472 -3.487 -3.339 627 HD13 LEU 83 3HD1 LEU 83 3.313 -2.621 -4.884 628 HD21 LEU 83 3HD2 LEU 83 4.811 -0.934 -3.678 629 HD22 LEU 83 1HD2 LEU 83 4.664 -1.838 -2.158 630 HD23 LEU 83 2HD2 LEU 83 4.221 -0.132 -2.209 631 H ILE 84 H ILE 84 -0.682 1.423 -3.031 632 HA ILE 84 HA ILE 84 -0.303 3.439 -5.187 633 HB ILE 84 HB ILE 84 -2.650 2.440 -5.211 634 HG12 ILE 84 2HG1 ILE 84 -2.375 5.454 -4.823 635 HG13 ILE 84 3HG1 ILE 84 -1.977 4.562 -6.297 636 HG21 ILE 84 1HG2 ILE 84 -4.251 3.107 -3.561 637 HG22 ILE 84 2HG2 ILE 84 -2.866 2.416 -2.698 638 HG23 ILE 84 3HG2 ILE 84 -3.080 4.172 -2.753 639 HD11 ILE 84 3HD1 ILE 84 -4.132 5.601 -6.547 640 HD12 ILE 84 1HD1 ILE 84 -4.342 3.836 -6.498 641 HD13 ILE 84 2HD1 ILE 84 -4.743 4.831 -5.075 642 H LEU 85 H LEU 85 0.080 5.518 -4.536 643 HA LEU 85 HA LEU 85 0.372 5.999 -1.591 644 HB2 LEU 85 2HB LEU 85 2.524 5.803 -2.878 645 HB3 LEU 85 3HB LEU 85 1.985 7.145 -3.886 646 HG LEU 85 HG LEU 85 1.945 8.607 -1.830 647 HD11 LEU 85 1HD1 LEU 85 3.232 7.888 0.137 648 HD12 LEU 85 2HD1 LEU 85 3.424 6.269 -0.563 649 HD13 LEU 85 3HD1 LEU 85 1.816 6.860 -0.087 650 HD21 LEU 85 3HD2 LEU 85 4.403 8.836 -1.743 651 HD22 LEU 85 1HD2 LEU 85 3.840 8.595 -3.411 652 HD23 LEU 85 2HD2 LEU 85 4.587 7.252 -2.523 653 H PHE 86 H PHE 86 -0.748 7.636 -0.758 654 HA PHE 86 HA PHE 86 -2.159 9.548 -2.554 655 HB2 PHE 86 2HB PHE 86 -2.830 8.591 0.244 656 HB3 PHE 86 3HB PHE 86 -3.729 9.805 -0.642 657 HD1 PHE 86 HD1 PHE 86 -4.606 9.081 -3.050 658 HD2 PHE 86 HD2 PHE 86 -3.585 6.365 0.140 659 HE1 PHE 86 HE1 PHE 86 -6.059 7.343 -4.067 660 HE2 PHE 86 HE2 PHE 86 -5.052 4.637 -0.872 661 HZ PHE 86 HZ PHE 86 -6.292 5.121 -2.973 662 H LYS 87 H LYS 87 -2.107 11.737 -2.122 663 HA LYS 87 HA LYS 87 -1.066 12.674 0.480 664 HB2 LYS 87 2HB LYS 87 -0.109 13.730 -2.186 665 HB3 LYS 87 3HB LYS 87 -0.329 14.828 -0.835 666 HG2 LYS 87 2HG LYS 87 1.158 13.502 0.589 667 HG3 LYS 87 3HG LYS 87 1.499 12.391 -0.740 668 HD2 LYS 87 2HD LYS 87 1.963 15.400 -0.956 669 HD3 LYS 87 3HD LYS 87 3.172 14.333 -0.257 670 HE2 LYS 87 2HE LYS 87 3.407 13.072 -2.314 671 HE3 LYS 87 3HE LYS 87 2.043 13.928 -3.054 672 HZ1 LYS 87 3HZ LYS 87 4.605 15.204 -2.242 673 HZ2 LYS 87 1HZ LYS 87 3.347 15.980 -2.936 674 HZ3 LYS 87 2HZ LYS 87 4.171 14.855 -3.778 675 H ASP 88 H ASP 88 -2.653 13.827 1.439 676 HA ASP 88 HA ASP 88 -4.641 14.831 1.797 677 HB2 ASP 88 2HB ASP 88 -3.270 16.715 0.926 678 HB3 ASP 88 3HB ASP 88 -3.978 16.465 -0.669 679 H GLY 89 H GLY 89 -4.913 12.402 0.583 680 HA2 GLY 89 2HA GLY 89 -6.528 11.028 -0.294 681 HA3 GLY 89 3HA GLY 89 -7.593 12.424 -0.464 682 H GLN 90 H GLN 90 -4.810 13.165 -2.194 683 HA GLN 90 HA GLN 90 -6.048 12.365 -4.764 684 HB2 GLN 90 2HB GLN 90 -3.642 14.169 -4.420 685 HB3 GLN 90 3HB GLN 90 -4.738 14.041 -5.789 686 HG2 GLN 90 2HG GLN 90 -5.242 15.344 -3.092 687 HG3 GLN 90 3HG GLN 90 -5.181 16.116 -4.663 688 HE21 GLN 90 1HE2 GLN 90 -7.310 15.107 -2.292 689 HE22 GLN 90 2HE2 GLN 90 -8.746 14.946 -3.307 690 HA PRO 91 HA PRO 91 -2.938 9.183 -5.200 691 HB2 PRO 91 2HB PRO 91 -2.929 8.709 -7.890 692 HB3 PRO 91 3HB PRO 91 -4.291 8.256 -6.817 693 HG2 PRO 91 2HG PRO 91 -4.028 10.744 -8.540 694 HG3 PRO 91 3HG PRO 91 -5.421 9.622 -8.424 695 HD2 PRO 91 2HD PRO 91 -5.323 11.954 -7.015 696 HD3 PRO 91 3HD PRO 91 -6.054 10.477 -6.317 697 H VAL 92 H VAL 92 -0.809 9.066 -5.380 698 HA VAL 92 HA VAL 92 0.752 11.309 -6.631 699 HB VAL 92 HB VAL 92 1.370 9.689 -4.129 700 HG11 VAL 92 1HG1 VAL 92 3.433 10.458 -5.233 701 HG12 VAL 92 2HG1 VAL 92 2.779 12.107 -5.339 702 HG13 VAL 92 3HG1 VAL 92 3.136 11.375 -3.757 703 HG21 VAL 92 3HG2 VAL 92 0.487 12.592 -4.411 704 HG22 VAL 92 1HG2 VAL 92 -0.507 11.265 -3.782 705 HG23 VAL 92 2HG2 VAL 92 0.943 11.745 -2.906 706 H LYS 93 H LYS 93 0.845 7.831 -5.831 707 HA LYS 93 HA LYS 93 2.284 7.243 -8.331 708 HB2 LYS 93 2HB LYS 93 3.364 6.512 -5.566 709 HB3 LYS 93 3HB LYS 93 3.744 5.552 -6.976 710 HG2 LYS 93 2HG LYS 93 4.473 8.485 -6.641 711 HG3 LYS 93 3HG LYS 93 5.532 7.094 -6.406 712 HD2 LYS 93 2HD LYS 93 5.042 6.439 -8.848 713 HD3 LYS 93 3HD LYS 93 4.248 8.010 -9.011 714 HE2 LYS 93 2HE LYS 93 6.420 8.312 -9.853 715 HE3 LYS 93 3HE LYS 93 6.400 9.107 -8.276 716 HZ1 LYS 93 3HZ LYS 93 7.477 6.363 -8.777 717 HZ2 LYS 93 1HZ LYS 93 7.554 7.180 -7.351 718 HZ3 LYS 93 2HZ LYS 93 8.388 7.715 -8.655 719 H ARG 94 H ARG 94 1.963 5.202 -9.075 720 HA ARG 94 HA ARG 94 0.429 3.221 -7.490 721 HB2 ARG 94 2HB ARG 94 -1.245 4.314 -8.899 722 HB3 ARG 94 3HB ARG 94 -0.253 4.050 -10.340 723 HG2 ARG 94 2HG ARG 94 -0.502 1.607 -10.096 724 HG3 ARG 94 3HG ARG 94 -1.439 1.831 -8.604 725 HD2 ARG 94 2HD ARG 94 -3.210 2.954 -9.824 726 HD3 ARG 94 3HD ARG 94 -2.251 2.973 -11.311 727 HE ARG 94 HE ARG 94 -2.304 0.416 -11.146 728 HH11 ARG 94 1HH2 ARG 94 -5.079 2.331 -10.099 729 HH12 ARG 94 2HH2 ARG 94 -6.148 0.956 -10.295 730 HH21 ARG 94 1HH1 ARG 94 -3.807 -1.206 -11.440 731 HH22 ARG 94 2HH1 ARG 94 -5.481 -0.881 -11.024 732 H ILE 95 H ILE 95 1.269 1.247 -7.615 733 HA ILE 95 HA ILE 95 3.221 0.529 -9.763 734 HB ILE 95 HB ILE 95 3.592 -0.303 -6.872 735 HG12 ILE 95 2HG1 ILE 95 4.977 2.066 -8.202 736 HG13 ILE 95 3HG1 ILE 95 3.802 2.162 -6.888 737 HG21 ILE 95 1HG2 ILE 95 4.656 -1.694 -8.638 738 HG22 ILE 95 2HG2 ILE 95 5.497 -0.247 -9.244 739 HG23 ILE 95 3HG2 ILE 95 5.849 -0.910 -7.629 740 HD11 ILE 95 3HD1 ILE 95 5.356 0.814 -5.441 741 HD12 ILE 95 1HD1 ILE 95 6.599 1.016 -6.705 742 HD13 ILE 95 2HD1 ILE 95 5.920 2.432 -5.890 743 H VAL 96 H VAL 96 2.937 -1.568 -10.544 744 HA VAL 96 HA VAL 96 1.469 -3.502 -8.882 745 HB VAL 96 HB VAL 96 -0.310 -2.810 -10.248 746 HG11 VAL 96 1HG1 VAL 96 0.870 -1.731 -12.127 747 HG12 VAL 96 2HG1 VAL 96 1.429 -3.318 -12.704 748 HG13 VAL 96 3HG1 VAL 96 -0.301 -2.914 -12.720 749 HG21 VAL 96 3HG2 VAL 96 -0.123 -5.254 -9.881 750 HG22 VAL 96 1HG2 VAL 96 -0.994 -4.821 -11.359 751 HG23 VAL 96 2HG2 VAL 96 0.673 -5.410 -11.463 752 H GLY 97 H GLY 97 2.166 -5.539 -8.975 753 HA2 GLY 97 2HA GLY 97 3.620 -7.325 -9.564 754 HA3 GLY 97 3HA GLY 97 4.491 -6.292 -10.692 755 H ALA 98 H ALA 98 5.713 -7.956 -8.751 756 HA ALA 98 HA ALA 98 6.378 -6.495 -6.352 757 HB1 ALA 98 3HB ALA 98 7.879 -8.410 -5.942 758 HB2 ALA 98 1HB ALA 98 6.261 -8.947 -6.428 759 HB3 ALA 98 2HB ALA 98 7.605 -8.994 -7.594 760 H LYS 99 H LYS 99 8.151 -5.347 -5.799 761 HA LYS 99 HA LYS 99 10.456 -5.059 -7.664 762 HB2 LYS 99 2HB LYS 99 9.045 -2.746 -6.252 763 HB3 LYS 99 3HB LYS 99 10.584 -2.645 -7.106 764 HG2 LYS 99 2HG LYS 99 9.377 -3.506 -9.186 765 HG3 LYS 99 3HG LYS 99 7.858 -3.261 -8.308 766 HD2 LYS 99 2HD LYS 99 8.409 -0.832 -8.071 767 HD3 LYS 99 3HD LYS 99 9.929 -1.113 -8.951 768 HE2 LYS 99 2HE LYS 99 8.516 -2.090 -10.846 769 HE3 LYS 99 3HE LYS 99 7.089 -1.502 -10.003 770 HZ1 LYS 99 3HZ LYS 99 7.975 0.796 -10.244 771 HZ2 LYS 99 1HZ LYS 99 7.874 0.072 -11.695 772 HZ3 LYS 99 2HZ LYS 99 9.322 0.217 -10.970 773 H GLY 100 H GLY 100 12.472 -4.754 -6.647 774 HA2 GLY 100 2HA GLY 100 12.682 -5.781 -3.908 775 HA3 GLY 100 3HA GLY 100 14.003 -5.394 -5.013 776 H LYS 101 H LYS 101 14.116 -4.654 -2.387 777 HA LYS 101 HA LYS 101 13.101 -2.212 -1.526 778 HB2 LYS 101 2HB LYS 101 14.860 -4.094 -0.533 779 HB3 LYS 101 3HB LYS 101 15.953 -2.747 -0.781 780 HG2 LYS 101 2HG LYS 101 13.447 -2.848 0.958 781 HG3 LYS 101 3HG LYS 101 15.128 -2.834 1.478 782 HD2 LYS 101 2HD LYS 101 15.351 -0.505 0.507 783 HD3 LYS 101 3HD LYS 101 13.617 -0.552 0.141 784 HE2 LYS 101 2HE LYS 101 13.927 0.647 2.176 785 HE3 LYS 101 3HE LYS 101 13.075 -0.862 2.517 786 HZ1 LYS 101 3HZ LYS 101 16.008 -0.558 2.895 787 HZ2 LYS 101 1HZ LYS 101 15.056 -1.777 3.466 788 HZ3 LYS 101 2HZ LYS 101 14.928 -0.258 4.080 789 H ALA 102 H ALA 102 15.767 -2.567 -3.757 790 HA ALA 102 HA ALA 102 16.611 0.218 -3.564 791 HB1 ALA 102 3HB ALA 102 17.925 -0.297 -5.593 792 HB2 ALA 102 1HB ALA 102 18.142 -1.542 -4.349 793 HB3 ALA 102 2HB ALA 102 17.095 -1.861 -5.751 794 H ALA 103 H ALA 103 14.643 -1.568 -6.003 795 HA ALA 103 HA ALA 103 13.953 0.799 -7.486 796 HB1 ALA 103 3HB ALA 103 14.040 -1.413 -8.505 797 HB2 ALA 103 1HB ALA 103 12.756 -2.003 -7.430 798 HB3 ALA 103 2HB ALA 103 12.401 -0.754 -8.649 799 H LEU 104 H LEU 104 12.173 -1.035 -4.902 800 HA LEU 104 HA LEU 104 9.822 0.591 -5.076 801 HB2 LEU 104 2HB LEU 104 10.441 -1.757 -3.883 802 HB3 LEU 104 3HB LEU 104 10.590 -0.710 -2.477 803 HG LEU 104 HG LEU 104 8.147 -1.002 -4.299 804 HD11 LEU 104 1HD1 LEU 104 8.643 -2.986 -2.864 805 HD12 LEU 104 2HD1 LEU 104 7.120 -2.191 -2.450 806 HD13 LEU 104 3HD1 LEU 104 8.548 -1.935 -1.428 807 HD21 LEU 104 3HD2 LEU 104 6.932 0.207 -2.467 808 HD22 LEU 104 1HD2 LEU 104 8.071 1.211 -3.362 809 HD23 LEU 104 2HD2 LEU 104 8.512 0.596 -1.752 810 H LEU 105 H LEU 105 12.836 0.919 -3.036 811 HA LEU 105 HA LEU 105 11.792 3.381 -1.947 812 HB2 LEU 105 2HB LEU 105 13.444 2.021 -0.718 813 HB3 LEU 105 3HB LEU 105 14.676 2.512 -1.879 814 HG LEU 105 HG LEU 105 14.476 4.867 -1.199 815 HD11 LEU 105 1HD1 LEU 105 12.277 3.947 0.715 816 HD12 LEU 105 2HD1 LEU 105 12.088 5.101 -0.627 817 HD13 LEU 105 3HD1 LEU 105 13.075 5.533 0.761 818 HD21 LEU 105 3HD2 LEU 105 15.905 3.336 0.124 819 HD22 LEU 105 1HD2 LEU 105 14.551 3.041 1.236 820 HD23 LEU 105 2HD2 LEU 105 15.259 4.666 1.100 821 H ARG 106 H ARG 106 13.617 2.818 -5.039 822 HA ARG 106 HA ARG 106 14.012 5.698 -5.386 823 HB2 ARG 106 2HB ARG 106 13.534 3.586 -7.537 824 HB3 ARG 106 3HB ARG 106 13.979 5.258 -7.823 825 HG2 ARG 106 2HG ARG 106 15.677 3.024 -6.772 826 HG3 ARG 106 3HG ARG 106 15.975 4.116 -8.097 827 HD2 ARG 106 2HD ARG 106 16.140 4.796 -5.132 828 HD3 ARG 106 3HD ARG 106 17.490 4.514 -6.235 829 HE ARG 106 HE ARG 106 15.772 6.655 -7.181 830 HH11 ARG 106 2HH1 ARG 106 18.446 6.026 -4.992 831 HH12 ARG 106 1HH1 ARG 106 19.002 7.689 -5.079 832 HH21 ARG 106 1HH2 ARG 106 16.487 8.787 -7.098 833 HH22 ARG 106 2HH2 ARG 106 17.857 9.192 -6.082 834 H GLU 107 H GLU 107 11.350 3.554 -6.309 835 HA GLU 107 HA GLU 107 9.589 5.413 -7.449 836 HB2 GLU 107 2HB GLU 107 9.124 2.863 -5.893 837 HB3 GLU 107 3HB GLU 107 7.785 3.784 -6.556 838 HG2 GLU 107 2HG GLU 107 10.099 3.031 -8.364 839 HG3 GLU 107 3HG GLU 107 8.902 1.831 -7.904 840 H LEU 108 H LEU 108 9.966 4.614 -3.977 841 HA LEU 108 HA LEU 108 8.038 6.724 -3.212 842 HB2 LEU 108 2HB LEU 108 9.732 4.819 -1.569 843 HB3 LEU 108 3HB LEU 108 8.487 5.890 -0.924 844 HG LEU 108 HG LEU 108 7.969 3.666 -2.952 845 HD11 LEU 108 1HD1 LEU 108 7.440 3.805 0.028 846 HD12 LEU 108 2HD1 LEU 108 8.717 2.843 -0.758 847 HD13 LEU 108 3HD1 LEU 108 7.024 2.453 -1.062 848 HD21 LEU 108 3HD2 LEU 108 5.591 3.989 -2.333 849 HD22 LEU 108 1HD2 LEU 108 6.260 5.419 -3.115 850 HD23 LEU 108 2HD2 LEU 108 6.043 5.400 -1.348 851 H SER 109 H SER 109 11.560 6.436 -3.346 852 HA SER 109 HA SER 109 12.160 8.619 -1.657 853 HB2 SER 109 2HB SER 109 13.889 7.094 -2.209 854 HB3 SER 109 3HB SER 109 13.815 7.545 -3.933 855 HG SER 109 HG SER 109 14.344 9.365 -1.808 856 H ASP 110 H ASP 110 11.086 8.434 -5.035 857 HA ASP 110 HA ASP 110 11.341 11.105 -5.899 858 HB2 ASP 110 2HB ASP 110 10.328 9.186 -7.142 859 HB3 ASP 110 3HB ASP 110 8.897 9.309 -6.116 860 H VAL 111 H VAL 111 9.224 9.899 -3.308 861 HA VAL 111 HA VAL 111 8.180 12.627 -2.715 862 HB VAL 111 HB VAL 111 7.283 9.828 -1.930 863 HG11 VAL 111 1HG1 VAL 111 5.316 10.948 -0.880 864 HG12 VAL 111 2HG1 VAL 111 6.819 11.243 -0.009 865 HG13 VAL 111 3HG1 VAL 111 6.141 12.515 -1.056 866 HG21 VAL 111 3HG2 VAL 111 6.655 10.494 -4.214 867 HG22 VAL 111 1HG2 VAL 111 5.233 10.509 -3.179 868 HG23 VAL 111 2HG2 VAL 111 6.014 12.039 -3.615 869 H VAL 112 H VAL 112 10.273 10.102 -1.523 870 HA VAL 112 HA VAL 112 10.931 11.622 0.986 871 HB VAL 112 HB VAL 112 11.345 8.664 0.439 872 HG11 VAL 112 1HG1 VAL 112 12.871 9.570 2.141 873 HG12 VAL 112 2HG1 VAL 112 11.515 10.367 2.968 874 HG13 VAL 112 3HG1 VAL 112 11.629 8.595 2.919 875 HG21 VAL 112 3HG2 VAL 112 9.467 8.339 2.067 876 HG22 VAL 112 1HG2 VAL 112 9.116 10.081 1.959 877 HG23 VAL 112 2HG2 VAL 112 8.941 9.035 0.537 878 HA PRO 113 HA PRO 113 14.563 12.121 -1.792 879 HB2 PRO 113 2HB PRO 113 14.984 14.795 -1.544 880 HB3 PRO 113 3HB PRO 113 13.659 14.114 -2.534 881 HG2 PRO 113 2HG PRO 113 13.483 15.068 0.351 882 HG3 PRO 113 3HG PRO 113 12.485 15.605 -1.043 883 HD2 PRO 113 2HD PRO 113 11.629 13.642 0.609 884 HD3 PRO 113 3HD PRO 113 11.362 13.539 -1.160 885 H ASN 114 H ASN 114 14.269 11.493 1.217 886 HA ASN 114 HA ASN 114 16.577 12.543 2.585 887 HB2 ASN 114 2HB ASN 114 15.190 9.843 2.891 888 HB3 ASN 114 3HB ASN 114 16.335 10.542 4.028 889 HD21 ASN 114 1HD2 ASN 114 14.119 9.839 5.200 890 HD22 ASN 114 2HD2 ASN 114 12.971 11.144 5.403 891 H LEU 115 H LEU 115 16.218 9.910 0.217 892 HA LEU 115 HA LEU 115 19.147 9.374 0.228 893 HB2 LEU 115 2HB LEU 115 16.766 8.035 -1.095 894 HB3 LEU 115 3HB LEU 115 18.397 7.809 -1.700 895 HG LEU 115 HG LEU 115 19.122 6.981 0.549 896 HD11 LEU 115 1HD1 LEU 115 17.394 7.849 2.031 897 HD12 LEU 115 2HD1 LEU 115 17.335 6.086 2.050 898 HD13 LEU 115 3HD1 LEU 115 16.124 6.998 1.114 899 HD21 LEU 115 3HD2 LEU 115 18.599 5.472 -1.304 900 HD22 LEU 115 1HD2 LEU 115 16.878 5.495 -0.871 901 HD23 LEU 115 2HD2 LEU 115 18.074 4.759 0.225 902 H ASN 116 H ASN 116 20.389 9.601 -1.637 903 HA ASN 116 HA ASN 116 19.742 11.831 -3.462 904 HB2 ASN 116 2HB ASN 116 21.988 11.699 -2.493 905 HB3 ASN 116 3HB ASN 116 22.198 10.054 -3.094 906 HD21 ASN 116 1HD2 ASN 116 22.003 9.820 -5.535 907 HD22 ASN 116 2HD2 ASN 116 22.820 11.072 -6.480 Start of MODEL 11 1 H1 MET 1 1H MET 1 9.189 -5.060 21.393 2 H2 MET 1 2H MET 1 9.438 -6.030 22.687 3 HA MET 1 HA MET 1 11.784 -6.174 22.252 4 HB2 MET 1 2HB MET 1 11.191 -4.296 19.910 5 HB3 MET 1 3HB MET 1 12.790 -4.689 20.531 6 HG2 MET 1 2HG MET 1 12.519 -6.004 18.627 7 HG3 MET 1 3HG MET 1 12.359 -7.109 19.987 8 HE1 MET 1 3HE MET 1 11.477 -8.908 18.219 9 HE2 MET 1 1HE MET 1 10.091 -8.638 17.138 10 HE3 MET 1 2HE MET 1 11.591 -7.713 16.904 11 H THR 2 H THR 2 13.039 -4.832 23.560 12 HA THR 2 HA THR 2 11.790 -2.622 24.932 13 HB THR 2 HB THR 2 14.137 -2.298 25.853 14 HG1 THR 2 HG1 THR 2 15.606 -3.939 25.360 15 HG21 THR 2 3HG2 THR 2 14.120 -4.374 27.164 16 HG22 THR 2 1HG2 THR 2 12.993 -5.125 26.013 17 HG23 THR 2 2HG2 THR 2 12.478 -3.734 26.995 18 H ASP 3 H ASP 3 13.908 -2.774 22.129 19 HA ASP 3 HA ASP 3 14.286 0.127 21.953 20 HB2 ASP 3 2HB ASP 3 15.978 -1.610 21.306 21 HB3 ASP 3 3HB ASP 3 14.923 -2.100 19.983 22 H SER 4 H SER 4 11.595 -1.664 21.427 23 HA SER 4 HA SER 4 9.748 -1.688 20.251 24 HB2 SER 4 2HB SER 4 9.635 0.716 20.674 25 HB3 SER 4 3HB SER 4 10.451 1.028 19.128 26 HG SER 4 HG SER 4 8.077 1.062 19.101 27 H GLU 5 H GLU 5 8.892 -2.479 18.428 28 HA GLU 5 HA GLU 5 10.599 -3.315 16.204 29 HB2 GLU 5 2HB GLU 5 8.674 -4.633 17.062 30 HB3 GLU 5 3HB GLU 5 7.573 -3.350 16.562 31 HG2 GLU 5 2HG GLU 5 8.119 -3.727 14.252 32 HG3 GLU 5 3HG GLU 5 9.377 -4.880 14.703 33 H LYS 6 H LYS 6 8.624 -0.578 16.984 34 HA LYS 6 HA LYS 6 7.821 1.237 15.819 35 HB2 LYS 6 2HB LYS 6 9.704 2.717 15.313 36 HB3 LYS 6 3HB LYS 6 9.855 1.838 16.825 37 HG2 LYS 6 2HG LYS 6 11.421 0.237 15.743 38 HG3 LYS 6 3HG LYS 6 11.333 1.163 14.240 39 HD2 LYS 6 2HD LYS 6 12.421 3.040 15.203 40 HD3 LYS 6 3HD LYS 6 12.104 2.515 16.859 41 HE2 LYS 6 2HE LYS 6 13.968 1.051 14.939 42 HE3 LYS 6 3HE LYS 6 14.486 2.247 16.134 43 HZ1 LYS 6 3HZ LYS 6 13.169 -0.346 16.772 44 HZ2 LYS 6 1HZ LYS 6 13.463 0.803 17.867 45 HZ3 LYS 6 2HZ LYS 6 14.717 0.094 17.145 46 H SER 7 H SER 7 7.328 -0.922 14.041 47 HA SER 7 HA SER 7 7.815 0.159 11.346 48 HB2 SER 7 2HB SER 7 7.824 -2.315 11.917 49 HB3 SER 7 3HB SER 7 6.058 -2.193 12.074 50 HG SER 7 HG SER 7 7.735 -1.770 9.840 51 H ALA 8 H ALA 8 6.463 1.600 10.322 52 HA ALA 8 HA ALA 8 3.988 2.322 11.693 53 HB1 ALA 8 3HB ALA 8 5.277 3.623 9.277 54 HB2 ALA 8 1HB ALA 8 3.961 4.268 10.267 55 HB3 ALA 8 2HB ALA 8 5.571 4.057 10.978 56 H THR 9 H THR 9 3.168 0.054 11.155 57 HA THR 9 HA THR 9 1.839 -0.054 8.491 58 HB THR 9 HB THR 9 1.573 -2.487 8.940 59 HG1 THR 9 HG1 THR 9 2.983 -3.366 10.492 60 HG21 THR 9 3HG2 THR 9 3.372 -1.594 7.477 61 HG22 THR 9 1HG2 THR 9 3.857 -3.073 8.324 62 HG23 THR 9 2HG2 THR 9 4.449 -1.498 8.889 63 H ILE 10 H ILE 10 -0.304 -0.410 8.252 64 HA ILE 10 HA ILE 10 -2.036 -1.070 10.565 65 HB ILE 10 HB ILE 10 -3.723 0.580 9.901 66 HG12 ILE 10 2HG1 ILE 10 -1.621 1.827 8.080 67 HG13 ILE 10 3HG1 ILE 10 -3.023 0.903 7.532 68 HG21 ILE 10 1HG2 ILE 10 -2.758 2.489 10.994 69 HG22 ILE 10 2HG2 ILE 10 -2.073 1.038 11.727 70 HG23 ILE 10 3HG2 ILE 10 -1.111 1.983 10.568 71 HD11 ILE 10 3HD1 ILE 10 -3.105 3.566 8.986 72 HD12 ILE 10 1HD1 ILE 10 -3.514 3.236 7.297 73 HD13 ILE 10 2HD1 ILE 10 -4.532 2.572 8.591 74 H LYS 11 H LYS 11 -4.116 -1.954 9.969 75 HA LYS 11 HA LYS 11 -4.396 -2.890 7.127 76 HB2 LYS 11 2HB LYS 11 -5.536 -3.972 9.723 77 HB3 LYS 11 3HB LYS 11 -6.290 -4.300 8.161 78 HG2 LYS 11 2HG LYS 11 -4.210 -5.292 7.306 79 HG3 LYS 11 3HG LYS 11 -3.416 -5.010 8.872 80 HD2 LYS 11 2HD LYS 11 -5.077 -6.445 9.992 81 HD3 LYS 11 3HD LYS 11 -5.942 -6.700 8.472 82 HE2 LYS 11 2HE LYS 11 -3.046 -7.528 8.970 83 HE3 LYS 11 3HE LYS 11 -4.439 -8.588 9.203 84 HZ1 LYS 11 3HZ LYS 11 -4.991 -8.288 6.825 85 HZ2 LYS 11 1HZ LYS 11 -3.506 -8.941 7.019 86 HZ3 LYS 11 2HZ LYS 11 -3.678 -7.367 6.603 87 H VAL 12 H VAL 12 -6.180 -2.397 5.970 88 HA VAL 12 HA VAL 12 -8.298 -0.691 7.180 89 HB VAL 12 HB VAL 12 -8.414 0.686 5.153 90 HG11 VAL 12 1HG1 VAL 12 -7.213 1.442 7.194 91 HG12 VAL 12 2HG1 VAL 12 -5.689 0.840 6.509 92 HG13 VAL 12 3HG1 VAL 12 -6.562 2.156 5.710 93 HG21 VAL 12 3HG2 VAL 12 -6.563 0.845 3.581 94 HG22 VAL 12 1HG2 VAL 12 -5.695 -0.467 4.396 95 HG23 VAL 12 2HG2 VAL 12 -7.214 -0.802 3.543 96 H THR 13 H THR 13 -10.320 -0.779 6.202 97 HA THR 13 HA THR 13 -10.882 -3.149 4.450 98 HB THR 13 HB THR 13 -12.921 -3.546 5.669 99 HG1 THR 13 HG1 THR 13 -12.142 -1.384 7.318 100 HG21 THR 13 3HG2 THR 13 -12.138 -4.330 7.818 101 HG22 THR 13 1HG2 THR 13 -10.684 -3.314 7.718 102 HG23 THR 13 2HG2 THR 13 -10.912 -4.662 6.580 103 H ASP 14 H ASP 14 -13.083 -2.924 3.343 104 HA ASP 14 HA ASP 14 -13.294 -0.420 1.993 105 HB2 ASP 14 2HB ASP 14 -14.131 -2.694 1.219 106 HB3 ASP 14 3HB ASP 14 -15.518 -2.478 2.274 107 H ALA 15 H ALA 15 -14.584 -1.396 5.076 108 HA ALA 15 HA ALA 15 -16.512 0.808 5.296 109 HB1 ALA 15 3HB ALA 15 -16.960 -0.193 7.493 110 HB2 ALA 15 1HB ALA 15 -17.002 -1.425 6.219 111 HB3 ALA 15 2HB ALA 15 -15.585 -1.300 7.290 112 H SER 16 H SER 16 -13.100 0.503 5.876 113 HA SER 16 HA SER 16 -13.132 2.868 7.719 114 HB2 SER 16 2HB SER 16 -11.265 1.922 8.914 115 HB3 SER 16 3HB SER 16 -12.648 0.822 8.944 116 HG SER 16 HG SER 16 -10.604 -0.186 8.518 117 H PHE 17 H PHE 17 -11.862 1.698 4.747 118 HA PHE 17 HA PHE 17 -9.366 2.834 4.512 119 HB2 PHE 17 2HB PHE 17 -10.746 1.436 2.863 120 HB3 PHE 17 3HB PHE 17 -11.498 2.926 2.339 121 HD1 PHE 17 HD2 PHE 17 -9.877 4.790 1.397 122 HD2 PHE 17 HD1 PHE 17 -8.768 0.660 1.950 123 HE1 PHE 17 HE2 PHE 17 -8.011 5.066 -0.220 124 HE2 PHE 17 HE1 PHE 17 -7.010 0.907 0.231 125 HZ PHE 17 HZ PHE 17 -6.595 3.120 -0.824 126 H ALA 18 H ALA 18 -12.494 4.578 4.107 127 HA ALA 18 HA ALA 18 -11.258 7.002 3.273 128 HB1 ALA 18 3HB ALA 18 -13.471 8.004 3.663 129 HB2 ALA 18 1HB ALA 18 -13.601 6.459 2.805 130 HB3 ALA 18 2HB ALA 18 -13.987 6.548 4.544 131 H THR 19 H THR 19 -12.052 5.821 6.543 132 HA THR 19 HA THR 19 -11.381 8.357 7.829 133 HB THR 19 HB THR 19 -11.668 5.623 9.145 134 HG1 THR 19 HG1 THR 19 -13.863 6.117 9.322 135 HG21 THR 19 3HG2 THR 19 -12.621 6.968 11.026 136 HG22 THR 19 1HG2 THR 19 -12.236 8.458 10.131 137 HG23 THR 19 2HG2 THR 19 -10.939 7.382 10.697 138 H ASP 20 H ASP 20 -9.564 5.444 7.021 139 HA ASP 20 HA ASP 20 -7.270 6.349 8.702 140 HB2 ASP 20 2HB ASP 20 -7.994 3.766 7.321 141 HB3 ASP 20 3HB ASP 20 -6.348 4.086 7.857 142 H VAL 21 H VAL 21 -8.017 5.849 5.241 143 HA VAL 21 HA VAL 21 -5.276 6.736 4.514 144 HB VAL 21 HB VAL 21 -7.413 5.688 2.644 145 HG11 VAL 21 1HG1 VAL 21 -5.567 5.251 1.155 146 HG12 VAL 21 2HG1 VAL 21 -5.517 6.952 1.610 147 HG13 VAL 21 3HG1 VAL 21 -4.391 5.795 2.363 148 HG21 VAL 21 3HG2 VAL 21 -6.200 3.521 2.726 149 HG22 VAL 21 1HG2 VAL 21 -5.209 4.135 4.073 150 HG23 VAL 21 2HG2 VAL 21 -6.967 3.909 4.260 151 H LEU 22 H LEU 22 -8.660 7.464 3.487 152 HA LEU 22 HA LEU 22 -7.772 9.774 2.002 153 HB2 LEU 22 2HB LEU 22 -10.625 9.056 2.673 154 HB3 LEU 22 3HB LEU 22 -10.065 10.109 1.385 155 HG LEU 22 HG LEU 22 -9.529 7.125 1.560 156 HD11 LEU 22 1HD1 LEU 22 -11.115 6.926 -0.296 157 HD12 LEU 22 2HD1 LEU 22 -11.387 8.682 -0.279 158 HD13 LEU 22 3HD1 LEU 22 -11.901 7.684 1.096 159 HD21 LEU 22 3HD2 LEU 22 -7.729 8.244 0.299 160 HD22 LEU 22 1HD2 LEU 22 -8.951 9.047 -0.720 161 HD23 LEU 22 2HD2 LEU 22 -8.759 7.287 -0.770 162 H SER 23 H SER 23 -8.935 9.440 5.264 163 HA SER 23 HA SER 23 -9.440 12.270 5.685 164 HB2 SER 23 2HB SER 23 -9.152 9.996 7.623 165 HB3 SER 23 3HB SER 23 -9.579 11.656 8.071 166 HG SER 23 HG SER 23 -10.993 9.983 6.248 167 H SER 24 H SER 24 -6.499 10.536 5.397 168 HA SER 24 HA SER 24 -5.063 11.937 7.528 169 HB2 SER 24 2HB SER 24 -4.606 9.569 6.965 170 HB3 SER 24 3HB SER 24 -3.928 10.099 5.408 171 HG SER 24 HG SER 24 -2.358 9.886 7.133 172 H ASN 25 H ASN 25 -3.845 13.666 7.400 173 HA ASN 25 HA ASN 25 -3.311 14.998 4.813 174 HB2 ASN 25 2HB ASN 25 -4.331 16.282 6.635 175 HB3 ASN 25 3HB ASN 25 -2.965 15.913 7.693 176 HD21 ASN 25 1HD2 ASN 25 -3.402 17.232 4.312 177 HD22 ASN 25 2HD2 ASN 25 -2.335 18.599 4.624 178 H LYS 26 H LYS 26 -1.776 12.685 6.634 179 HA LYS 26 HA LYS 26 0.996 13.472 5.887 180 HB2 LYS 26 2HB LYS 26 0.517 12.485 8.149 181 HB3 LYS 26 3HB LYS 26 -0.056 11.019 7.348 182 HG2 LYS 26 2HG LYS 26 2.263 10.805 6.299 183 HG3 LYS 26 3HG LYS 26 2.776 12.155 7.328 184 HD2 LYS 26 2HD LYS 26 2.155 10.813 9.338 185 HD3 LYS 26 3HD LYS 26 1.595 9.503 8.273 186 HE2 LYS 26 2HE LYS 26 3.919 9.408 7.284 187 HE3 LYS 26 3HE LYS 26 4.446 10.563 8.516 188 HZ1 LYS 26 3HZ LYS 26 3.746 8.933 10.210 189 HZ2 LYS 26 1HZ LYS 26 4.872 8.279 9.221 190 HZ3 LYS 26 2HZ LYS 26 3.286 7.872 9.046 191 HA PRO 27 HA PRO 27 0.678 10.932 2.145 192 HB2 PRO 27 2HB PRO 27 3.571 10.375 2.825 193 HB3 PRO 27 3HB PRO 27 2.842 10.706 1.221 194 HG2 PRO 27 2HG PRO 27 4.141 12.672 2.547 195 HG3 PRO 27 3HG PRO 27 2.553 13.034 1.789 196 HD2 PRO 27 2HD PRO 27 3.148 12.402 4.694 197 HD3 PRO 27 3HD PRO 27 2.107 13.686 4.004 198 H VAL 28 H VAL 28 0.015 8.864 1.903 199 HA VAL 28 HA VAL 28 0.728 6.796 3.893 200 HB VAL 28 HB VAL 28 -1.138 7.857 4.908 201 HG11 VAL 28 1HG1 VAL 28 -2.751 7.372 2.386 202 HG12 VAL 28 2HG1 VAL 28 -3.357 8.020 3.921 203 HG13 VAL 28 3HG1 VAL 28 -2.201 8.957 2.974 204 HG21 VAL 28 3HG2 VAL 28 -2.688 6.003 5.142 205 HG22 VAL 28 1HG2 VAL 28 -2.096 5.258 3.645 206 HG23 VAL 28 2HG2 VAL 28 -1.029 5.395 5.063 207 H LEU 29 H LEU 29 0.921 4.840 3.098 208 HA LEU 29 HA LEU 29 0.521 4.556 0.149 209 HB2 LEU 29 2HB LEU 29 2.801 5.057 1.157 210 HB3 LEU 29 3HB LEU 29 2.763 3.459 1.878 211 HG LEU 29 HG LEU 29 2.675 4.112 -1.104 212 HD11 LEU 29 1HD1 LEU 29 4.834 4.595 -0.059 213 HD12 LEU 29 2HD1 LEU 29 4.936 3.190 -1.123 214 HD13 LEU 29 3HD1 LEU 29 4.882 2.956 0.638 215 HD21 LEU 29 3HD2 LEU 29 2.787 1.424 0.332 216 HD22 LEU 29 1HD2 LEU 29 3.209 1.662 -1.375 217 HD23 LEU 29 2HD2 LEU 29 1.564 1.978 -0.846 218 H VAL 30 H VAL 30 -0.961 3.039 -0.331 219 HA VAL 30 HA VAL 30 -1.522 0.892 1.660 220 HB VAL 30 HB VAL 30 -3.358 1.655 -0.610 221 HG11 VAL 30 1HG1 VAL 30 -3.709 0.218 2.067 222 HG12 VAL 30 2HG1 VAL 30 -5.021 0.616 0.957 223 HG13 VAL 30 3HG1 VAL 30 -3.774 -0.519 0.450 224 HG21 VAL 30 3HG2 VAL 30 -4.677 2.991 0.939 225 HG22 VAL 30 1HG2 VAL 30 -3.453 2.822 2.201 226 HG23 VAL 30 2HG2 VAL 30 -3.086 3.712 0.715 227 H ASP 31 H ASP 31 -0.943 -1.099 1.254 228 HA ASP 31 HA ASP 31 -0.350 -2.039 -1.507 229 HB2 ASP 31 2HB ASP 31 1.413 -2.374 0.062 230 HB3 ASP 31 3HB ASP 31 0.329 -3.067 1.258 231 H PHE 32 H PHE 32 -1.967 -2.869 -2.555 232 HA PHE 32 HA PHE 32 -4.239 -4.271 -1.289 233 HB2 PHE 32 2HB PHE 32 -3.652 -3.449 -4.156 234 HB3 PHE 32 3HB PHE 32 -5.068 -4.341 -3.641 235 HD1 PHE 32 HD1 PHE 32 -3.268 -1.063 -3.095 236 HD2 PHE 32 HD2 PHE 32 -7.007 -3.208 -2.933 237 HE1 PHE 32 HE1 PHE 32 -4.466 1.056 -2.651 238 HE2 PHE 32 HE2 PHE 32 -8.197 -1.080 -2.500 239 HZ PHE 32 HZ PHE 32 -6.937 1.057 -2.355 240 H TRP 33 H TRP 33 -3.888 -6.329 -0.784 241 HA TRP 33 HA TRP 33 -2.175 -8.095 -2.465 242 HB2 TRP 33 2HB TRP 33 -0.536 -8.307 -0.869 243 HB3 TRP 33 3HB TRP 33 -0.939 -6.624 -0.643 244 HD1 TRP 33 HD1 TRP 33 -3.214 -6.550 1.300 245 HE1 TRP 33 HE1 TRP 33 -3.388 -7.740 3.548 246 HE3 TRP 33 HE3 TRP 33 0.606 -9.917 0.712 247 HZ2 TRP 33 HZ2 TRP 33 -1.886 -9.746 5.013 248 HZ3 TRP 33 HZ3 TRP 33 1.200 -11.465 2.541 249 HH2 TRP 33 HH2 TRP 33 -0.009 -11.362 4.712 250 H ALA 34 H ALA 34 -1.971 -10.332 -1.440 251 HA ALA 34 HA ALA 34 -3.810 -10.937 0.730 252 HB1 ALA 34 3HB ALA 34 -4.750 -12.966 -0.368 253 HB2 ALA 34 1HB ALA 34 -5.293 -11.474 -1.130 254 HB3 ALA 34 2HB ALA 34 -4.026 -12.453 -1.909 255 H THR 35 H THR 35 -3.308 -12.803 1.889 256 HA THR 35 HA THR 35 -0.585 -13.571 2.184 257 HB THR 35 HB THR 35 -1.617 -15.496 3.511 258 HG1 THR 35 HG1 THR 35 -3.842 -15.383 3.823 259 HG21 THR 35 3HG2 THR 35 -2.578 -14.066 5.285 260 HG22 THR 35 1HG2 THR 35 -2.602 -12.686 4.164 261 HG23 THR 35 2HG2 THR 35 -1.056 -13.424 4.655 262 H TRP 36 H TRP 36 -3.156 -14.933 0.183 263 HA TRP 36 HA TRP 36 -1.734 -17.402 -0.391 264 HB2 TRP 36 2HB TRP 36 -3.645 -17.803 -1.928 265 HB3 TRP 36 3HB TRP 36 -4.054 -17.530 -0.255 266 HD1 TRP 36 HD1 TRP 36 -5.965 -15.952 0.207 267 HE1 TRP 36 HE1 TRP 36 -7.505 -14.504 -1.167 268 HE3 TRP 36 HE3 TRP 36 -3.236 -15.786 -4.152 269 HZ2 TRP 36 HZ2 TRP 36 -7.452 -13.162 -3.731 270 HZ3 TRP 36 HZ3 TRP 36 -3.964 -14.296 -5.992 271 HH2 TRP 36 HH2 TRP 36 -6.091 -13.025 -5.819 272 H CYS 37 H CYS 37 -1.124 -14.324 -1.583 273 HA CYS 37 HA CYS 37 -0.449 -15.288 -4.330 274 HB2 CYS 37 2HB CYS 37 -1.971 -13.361 -4.094 275 HB3 CYS 37 3HB CYS 37 -0.729 -12.491 -3.191 276 HG CYS 37 HG CYS 37 -0.662 -13.669 -6.307 277 H GLY 38 H GLY 38 1.594 -15.973 -4.624 278 HA2 GLY 38 2HA GLY 38 3.724 -15.667 -2.805 279 HA3 GLY 38 3HA GLY 38 3.908 -16.157 -4.474 280 HA PRO 39 HA PRO 39 5.541 -12.088 -5.546 281 HB2 PRO 39 2HB PRO 39 2.972 -11.112 -6.760 282 HB3 PRO 39 3HB PRO 39 4.633 -10.980 -7.412 283 HG2 PRO 39 2HG PRO 39 2.987 -12.892 -8.371 284 HG3 PRO 39 3HG PRO 39 4.684 -13.313 -7.965 285 HD2 PRO 39 2HD PRO 39 2.185 -13.803 -6.338 286 HD3 PRO 39 3HD PRO 39 3.562 -14.895 -6.641 287 H CYS 40 H CYS 40 2.271 -11.799 -4.066 288 HA CYS 40 HA CYS 40 2.722 -9.174 -2.899 289 HB2 CYS 40 2HB CYS 40 0.869 -11.441 -2.026 290 HB3 CYS 40 3HB CYS 40 0.911 -9.817 -1.354 291 HG CYS 40 HG CYS 40 0.289 -10.668 -4.492 292 H LYS 41 H LYS 41 3.079 -12.503 -1.655 293 HA LYS 41 HA LYS 41 4.298 -11.942 0.862 294 HB2 LYS 41 2HB LYS 41 3.401 -14.076 0.502 295 HB3 LYS 41 3HB LYS 41 4.132 -14.249 -1.069 296 HG2 LYS 41 2HG LYS 41 5.164 -15.812 0.304 297 HG3 LYS 41 3HG LYS 41 6.366 -14.573 -0.027 298 HD2 LYS 41 2HD LYS 41 5.936 -13.596 2.254 299 HD3 LYS 41 3HD LYS 41 4.730 -14.875 2.540 300 HE2 LYS 41 2HE LYS 41 6.480 -16.595 2.100 301 HE3 LYS 41 3HE LYS 41 7.672 -15.318 1.857 302 HZ1 LYS 41 3HZ LYS 41 7.780 -16.185 4.126 303 HZ2 LYS 41 1HZ LYS 41 6.214 -15.825 4.403 304 HZ3 LYS 41 2HZ LYS 41 7.303 -14.626 4.179 305 H MET 42 H MET 42 5.795 -12.111 -2.369 306 HA MET 42 HA MET 42 8.515 -11.874 -1.429 307 HB2 MET 42 2HB MET 42 7.223 -11.308 -4.118 308 HB3 MET 42 3HB MET 42 8.957 -11.170 -3.830 309 HG2 MET 42 2HG MET 42 9.178 -13.491 -3.313 310 HG3 MET 42 3HG MET 42 7.437 -13.727 -3.250 311 HE1 MET 42 3HE MET 42 8.272 -15.891 -6.339 312 HE2 MET 42 1HE MET 42 9.180 -15.730 -4.820 313 HE3 MET 42 2HE MET 42 7.402 -15.784 -4.793 314 H VAL 43 H VAL 43 6.184 -9.332 -2.566 315 HA VAL 43 HA VAL 43 8.201 -7.258 -2.003 316 HB VAL 43 HB VAL 43 6.592 -7.197 -3.904 317 HG11 VAL 43 1HG1 VAL 43 4.584 -6.293 -1.803 318 HG12 VAL 43 2HG1 VAL 43 4.387 -6.173 -3.556 319 HG13 VAL 43 3HG1 VAL 43 4.501 -7.764 -2.785 320 HG21 VAL 43 3HG2 VAL 43 7.942 -5.250 -3.209 321 HG22 VAL 43 1HG2 VAL 43 6.377 -4.783 -3.903 322 HG23 VAL 43 2HG2 VAL 43 6.632 -4.719 -2.150 323 H ALA 44 H ALA 44 5.570 -8.645 -0.154 324 HA ALA 44 HA ALA 44 4.944 -6.726 1.684 325 HB1 ALA 44 3HB ALA 44 3.904 -8.899 1.659 326 HB2 ALA 44 1HB ALA 44 5.410 -9.695 2.149 327 HB3 ALA 44 2HB ALA 44 4.572 -8.610 3.276 328 HA PRO 45 HA PRO 45 8.725 -7.370 4.558 329 HB2 PRO 45 2HB PRO 45 11.077 -8.388 3.545 330 HB3 PRO 45 3HB PRO 45 9.816 -9.376 4.341 331 HG2 PRO 45 2HG PRO 45 10.207 -8.909 1.365 332 HG3 PRO 45 3HG PRO 45 9.985 -10.471 2.220 333 HD2 PRO 45 2HD PRO 45 7.903 -9.269 1.044 334 HD3 PRO 45 3HD PRO 45 7.695 -10.010 2.653 335 H VAL 46 H VAL 46 9.211 -6.555 1.114 336 HA VAL 46 HA VAL 46 11.295 -4.588 1.640 337 HB VAL 46 HB VAL 46 9.591 -4.810 -0.861 338 HG11 VAL 46 1HG1 VAL 46 11.003 -2.735 -0.547 339 HG12 VAL 46 2HG1 VAL 46 12.413 -3.798 -0.431 340 HG13 VAL 46 3HG1 VAL 46 11.443 -3.727 -1.935 341 HG21 VAL 46 3HG2 VAL 46 10.608 -7.006 -0.513 342 HG22 VAL 46 1HG2 VAL 46 11.500 -6.160 -1.773 343 HG23 VAL 46 2HG2 VAL 46 12.179 -6.259 -0.134 344 H LEU 47 H LEU 47 7.762 -4.402 0.975 345 HA LEU 47 HA LEU 47 7.737 -1.539 1.449 346 HB2 LEU 47 2HB LEU 47 5.385 -1.588 1.157 347 HB3 LEU 47 3HB LEU 47 6.220 -2.496 -0.085 348 HG LEU 47 HG LEU 47 5.630 -4.591 1.427 349 HD11 LEU 47 1HD1 LEU 47 3.437 -2.624 2.209 350 HD12 LEU 47 2HD1 LEU 47 4.615 -3.351 3.323 351 HD13 LEU 47 3HD1 LEU 47 3.430 -4.372 2.506 352 HD21 LEU 47 3HD2 LEU 47 4.850 -4.154 -0.871 353 HD22 LEU 47 1HD2 LEU 47 3.549 -3.140 -0.235 354 HD23 LEU 47 2HD2 LEU 47 3.597 -4.885 0.128 355 H GLU 48 H GLU 48 7.443 -4.311 3.613 356 HA GLU 48 HA GLU 48 6.669 -2.737 5.922 357 HB2 GLU 48 2HB GLU 48 6.407 -5.199 5.712 358 HB3 GLU 48 3HB GLU 48 8.169 -5.376 5.800 359 HG2 GLU 48 2HG GLU 48 8.142 -4.358 8.063 360 HG3 GLU 48 3HG GLU 48 6.393 -4.117 7.934 361 H GLU 49 H GLU 49 9.914 -3.612 4.529 362 HA GLU 49 HA GLU 49 11.421 -2.138 6.485 363 HB2 GLU 49 2HB GLU 49 11.960 -2.864 3.585 364 HB3 GLU 49 3HB GLU 49 13.054 -1.854 4.534 365 HG2 GLU 49 2HG GLU 49 13.313 -3.608 6.212 366 HG3 GLU 49 3HG GLU 49 12.170 -4.644 5.370 367 H ILE 50 H ILE 50 9.876 -1.015 3.399 368 HA ILE 50 HA ILE 50 10.556 1.758 3.815 369 HB ILE 50 HB ILE 50 8.649 0.220 2.135 370 HG12 ILE 50 2HG1 ILE 50 9.546 1.476 0.341 371 HG13 ILE 50 3HG1 ILE 50 10.271 2.679 1.410 372 HG21 ILE 50 1HG2 ILE 50 8.145 3.186 2.564 373 HG22 ILE 50 2HG2 ILE 50 7.438 2.178 1.282 374 HG23 ILE 50 3HG2 ILE 50 7.031 1.856 2.954 375 HD11 ILE 50 3HD1 ILE 50 11.942 1.040 2.132 376 HD12 ILE 50 1HD1 ILE 50 11.149 -0.223 1.151 377 HD13 ILE 50 2HD1 ILE 50 11.913 1.174 0.367 378 H ALA 51 H ALA 51 7.704 -0.089 5.027 379 HA ALA 51 HA ALA 51 6.396 2.043 6.321 380 HB1 ALA 51 3HB ALA 51 6.600 -0.814 7.382 381 HB2 ALA 51 1HB ALA 51 5.281 0.336 7.591 382 HB3 ALA 51 2HB ALA 51 5.599 -0.378 5.991 383 H THR 52 H THR 52 9.053 0.029 7.473 384 HA THR 52 HA THR 52 9.086 1.229 10.143 385 HB THR 52 HB THR 52 11.243 -0.518 8.885 386 HG1 THR 52 HG1 THR 52 9.401 -1.660 8.656 387 HG21 THR 52 3HG2 THR 52 11.573 -1.291 11.203 388 HG22 THR 52 1HG2 THR 52 10.311 -0.182 11.771 389 HG23 THR 52 2HG2 THR 52 11.826 0.458 11.093 390 H GLU 53 H GLU 53 11.243 1.439 7.280 391 HA GLU 53 HA GLU 53 13.057 3.266 8.661 392 HB2 GLU 53 2HB GLU 53 13.049 2.230 5.798 393 HB3 GLU 53 3HB GLU 53 14.336 3.155 6.564 394 HG2 GLU 53 2HG GLU 53 14.388 1.305 8.371 395 HG3 GLU 53 3HG GLU 53 13.427 0.337 7.274 396 H ARG 54 H ARG 54 10.394 3.722 6.390 397 HA ARG 54 HA ARG 54 11.096 6.637 6.132 398 HB2 ARG 54 2HB ARG 54 9.079 5.110 4.473 399 HB3 ARG 54 3HB ARG 54 9.701 6.720 4.180 400 HG2 ARG 54 2HG ARG 54 11.346 4.159 3.939 401 HG3 ARG 54 3HG ARG 54 10.543 4.991 2.620 402 HD2 ARG 54 2HD ARG 54 12.864 5.556 2.554 403 HD3 ARG 54 3HD ARG 54 11.942 7.000 3.002 404 HE ARG 54 HE ARG 54 12.727 5.761 5.407 405 HH11 ARG 54 1HH1 ARG 54 14.506 7.306 2.783 406 HH12 ARG 54 2HH1 ARG 54 15.732 7.858 3.931 407 HH21 ARG 54 1HH2 ARG 54 14.330 6.385 6.651 408 HH22 ARG 54 2HH2 ARG 54 15.756 7.167 5.969 409 H ALA 55 H ALA 55 9.719 5.114 8.407 410 HA ALA 55 HA ALA 55 7.045 5.734 8.685 411 HB1 ALA 55 3HB ALA 55 8.352 4.323 10.215 412 HB2 ALA 55 1HB ALA 55 9.240 5.744 10.804 413 HB3 ALA 55 2HB ALA 55 7.500 5.586 11.119 414 H THR 56 H THR 56 9.718 8.041 8.977 415 HA THR 56 HA THR 56 8.251 10.162 10.293 416 HB THR 56 HB THR 56 10.215 11.547 9.488 417 HG1 THR 56 HG1 THR 56 11.922 10.390 8.578 418 HG21 THR 56 3HG2 THR 56 10.235 10.401 11.692 419 HG22 THR 56 1HG2 THR 56 11.848 10.485 10.966 420 HG23 THR 56 2HG2 THR 56 10.940 8.957 10.933 421 H ASP 57 H ASP 57 8.364 9.104 6.976 422 HA ASP 57 HA ASP 57 7.042 11.643 6.059 423 HB2 ASP 57 2HB ASP 57 9.282 11.043 5.046 424 HB3 ASP 57 3HB ASP 57 8.527 9.590 4.385 425 H LEU 58 H LEU 58 6.940 8.096 5.900 426 HA LEU 58 HA LEU 58 4.241 8.138 4.627 427 HB2 LEU 58 2HB LEU 58 6.472 6.061 4.660 428 HB3 LEU 58 3HB LEU 58 4.873 5.770 3.985 429 HG LEU 58 HG LEU 58 6.810 7.873 2.945 430 HD11 LEU 58 1HD1 LEU 58 6.131 5.085 1.921 431 HD12 LEU 58 2HD1 LEU 58 7.688 5.624 2.579 432 HD13 LEU 58 3HD1 LEU 58 7.106 6.293 1.051 433 HD21 LEU 58 3HD2 LEU 58 5.305 7.876 0.975 434 HD22 LEU 58 1HD2 LEU 58 4.461 8.401 2.431 435 HD23 LEU 58 2HD2 LEU 58 4.205 6.759 1.816 436 H THR 59 H THR 59 2.608 6.943 5.458 437 HA THR 59 HA THR 59 3.237 4.961 7.618 438 HB THR 59 HB THR 59 0.561 6.330 7.171 439 HG1 THR 59 HG1 THR 59 0.976 7.038 9.311 440 HG21 THR 59 3HG2 THR 59 0.244 3.984 7.892 441 HG22 THR 59 1HG2 THR 59 -0.120 5.087 9.221 442 HG23 THR 59 2HG2 THR 59 1.429 4.214 9.198 443 H VAL 60 H VAL 60 2.801 2.853 7.042 444 HA VAL 60 HA VAL 60 1.877 2.441 4.239 445 HB VAL 60 HB VAL 60 3.682 0.810 6.019 446 HG11 VAL 60 1HG1 VAL 60 2.477 -0.008 3.334 447 HG12 VAL 60 2HG1 VAL 60 3.840 -0.816 4.137 448 HG13 VAL 60 3HG1 VAL 60 2.248 -0.839 4.893 449 HG21 VAL 60 3HG2 VAL 60 5.228 1.111 4.127 450 HG22 VAL 60 1HG2 VAL 60 4.001 2.023 3.238 451 HG23 VAL 60 2HG2 VAL 60 4.689 2.684 4.737 452 H ALA 61 H ALA 61 0.154 1.184 3.780 453 HA ALA 61 HA ALA 61 -1.421 0.025 6.028 454 HB1 ALA 61 3HB ALA 61 -3.442 0.909 4.897 455 HB2 ALA 61 1HB ALA 61 -2.324 2.210 5.369 456 HB3 ALA 61 2HB ALA 61 -2.393 1.676 3.684 457 H LYS 62 H LYS 62 -2.778 -1.703 5.530 458 HA LYS 62 HA LYS 62 -2.223 -3.238 3.003 459 HB2 LYS 62 2HB LYS 62 -2.726 -4.080 5.884 460 HB3 LYS 62 3HB LYS 62 -2.847 -5.212 4.546 461 HG2 LYS 62 2HG LYS 62 -0.305 -3.622 5.153 462 HG3 LYS 62 3HG LYS 62 -0.669 -5.216 5.829 463 HD2 LYS 62 2HD LYS 62 -0.954 -6.087 3.494 464 HD3 LYS 62 3HD LYS 62 -0.351 -4.549 2.872 465 HE2 LYS 62 2HE LYS 62 1.792 -4.902 3.960 466 HE3 LYS 62 3HE LYS 62 1.173 -6.310 4.841 467 HZ1 LYS 62 3HZ LYS 62 2.449 -6.952 2.844 468 HZ2 LYS 62 1HZ LYS 62 1.375 -6.156 1.878 469 HZ3 LYS 62 2HZ LYS 62 0.898 -7.464 2.738 470 H LEU 63 H LEU 63 -3.882 -3.497 1.689 471 HA LEU 63 HA LEU 63 -6.637 -3.742 2.836 472 HB2 LEU 63 2HB LEU 63 -6.394 -1.793 1.311 473 HB3 LEU 63 3HB LEU 63 -5.857 -2.856 0.029 474 HG LEU 63 HG LEU 63 -8.182 -2.111 -0.213 475 HD11 LEU 63 1HD1 LEU 63 -9.140 -4.122 -0.935 476 HD12 LEU 63 2HD1 LEU 63 -8.367 -5.083 0.318 477 HD13 LEU 63 3HD1 LEU 63 -7.403 -4.436 -1.024 478 HD21 LEU 63 3HD2 LEU 63 -8.827 -1.961 2.158 479 HD22 LEU 63 1HD2 LEU 63 -8.816 -3.734 2.283 480 HD23 LEU 63 2HD2 LEU 63 -9.980 -2.928 1.229 481 H ASP 64 H ASP 64 -7.148 -5.716 3.061 482 HA ASP 64 HA ASP 64 -5.729 -7.903 1.750 483 HB2 ASP 64 2HB ASP 64 -8.020 -7.791 3.749 484 HB3 ASP 64 3HB ASP 64 -7.228 -9.266 3.205 485 H VAL 65 H VAL 65 -6.299 -8.205 -0.426 486 HA VAL 65 HA VAL 65 -8.939 -7.638 -1.415 487 HB VAL 65 HB VAL 65 -8.321 -8.496 -3.513 488 HG11 VAL 65 1HG1 VAL 65 -7.316 -6.340 -2.772 489 HG12 VAL 65 2HG1 VAL 65 -5.833 -7.208 -2.341 490 HG13 VAL 65 3HG1 VAL 65 -6.379 -7.170 -4.029 491 HG21 VAL 65 3HG2 VAL 65 -5.776 -9.696 -2.393 492 HG22 VAL 65 1HG2 VAL 65 -7.202 -10.633 -2.888 493 HG23 VAL 65 2HG2 VAL 65 -6.310 -9.681 -4.076 494 H ASP 66 H ASP 66 -7.769 -10.385 0.213 495 HA ASP 66 HA ASP 66 -9.644 -12.347 -0.784 496 HB2 ASP 66 2HB ASP 66 -7.414 -12.765 0.360 497 HB3 ASP 66 3HB ASP 66 -8.170 -12.276 1.879 498 H THR 67 H THR 67 -9.898 -9.753 1.591 499 HA THR 67 HA THR 67 -12.605 -10.759 2.403 500 HB THR 67 HB THR 67 -12.357 -9.518 4.489 501 HG1 THR 67 HG1 THR 67 -10.305 -8.763 5.055 502 HG21 THR 67 3HG2 THR 67 -10.036 -11.454 4.071 503 HG22 THR 67 1HG2 THR 67 -11.717 -11.924 4.406 504 HG23 THR 67 2HG2 THR 67 -10.798 -11.011 5.615 505 H ASN 68 H ASN 68 -10.827 -7.926 1.181 506 HA ASN 68 HA ASN 68 -13.505 -6.856 0.485 507 HB2 ASN 68 2HB ASN 68 -11.224 -5.295 1.695 508 HB3 ASN 68 3HB ASN 68 -12.428 -4.522 0.662 509 HD21 ASN 68 1HD2 ASN 68 -14.827 -5.450 1.257 510 HD22 ASN 68 2HD2 ASN 68 -15.164 -5.211 2.976 511 HA PRO 69 HA PRO 69 -11.323 -7.056 -3.539 512 HB2 PRO 69 2HB PRO 69 -13.391 -8.154 -4.945 513 HB3 PRO 69 3HB PRO 69 -12.199 -9.137 -4.041 514 HG2 PRO 69 2HG PRO 69 -14.951 -8.240 -3.117 515 HG3 PRO 69 3HG PRO 69 -14.255 -9.894 -3.071 516 HD2 PRO 69 2HD PRO 69 -14.210 -8.269 -0.901 517 HD3 PRO 69 3HD PRO 69 -12.830 -9.343 -1.267 518 H GLU 70 H GLU 70 -14.211 -5.645 -2.080 519 HA GLU 70 HA GLU 70 -15.158 -4.142 -4.342 520 HB2 GLU 70 2HB GLU 70 -15.363 -3.354 -1.402 521 HB3 GLU 70 3HB GLU 70 -16.335 -2.783 -2.745 522 HG2 GLU 70 2HG GLU 70 -17.740 -4.282 -1.683 523 HG3 GLU 70 3HG GLU 70 -17.142 -5.182 -3.074 524 H THR 71 H THR 71 -12.809 -3.342 -1.745 525 HA THR 71 HA THR 71 -12.297 -0.666 -2.632 526 HB THR 71 HB THR 71 -10.297 -2.259 -1.089 527 HG1 THR 71 HG1 THR 71 -12.819 -1.323 -0.228 528 HG21 THR 71 3HG2 THR 71 -9.852 0.157 -1.547 529 HG22 THR 71 1HG2 THR 71 -10.098 -0.179 0.175 530 HG23 THR 71 2HG2 THR 71 -11.397 0.572 -0.775 531 H ALA 72 H ALA 72 -10.751 -3.782 -3.391 532 HA ALA 72 HA ALA 72 -8.608 -2.760 -5.008 533 HB1 ALA 72 3HB ALA 72 -8.446 -5.032 -5.816 534 HB2 ALA 72 1HB ALA 72 -8.756 -5.064 -4.074 535 HB3 ALA 72 2HB ALA 72 -10.073 -5.417 -5.215 536 H ARG 73 H ARG 73 -11.989 -3.604 -5.815 537 HA ARG 73 HA ARG 73 -11.676 -2.896 -8.603 538 HB2 ARG 73 2HB ARG 73 -13.369 -4.494 -7.701 539 HB3 ARG 73 3HB ARG 73 -14.215 -3.145 -6.930 540 HG2 ARG 73 2HG ARG 73 -14.646 -2.132 -9.149 541 HG3 ARG 73 3HG ARG 73 -13.723 -3.434 -9.931 542 HD2 ARG 73 2HD ARG 73 -15.339 -5.096 -9.071 543 HD3 ARG 73 3HD ARG 73 -16.253 -3.799 -8.270 544 HE ARG 73 HE ARG 73 -16.001 -3.150 -11.032 545 HH11 ARG 73 1HH2 ARG 73 -17.710 -5.508 -9.083 546 HH12 ARG 73 2HH2 ARG 73 -18.995 -5.674 -10.249 547 HH21 ARG 73 1HH1 ARG 73 -17.670 -3.410 -12.475 548 HH22 ARG 73 2HH1 ARG 73 -18.966 -4.514 -12.118 549 H ASN 74 H ASN 74 -12.871 -1.071 -5.787 550 HA ASN 74 HA ASN 74 -13.905 1.135 -7.157 551 HB2 ASN 74 2HB ASN 74 -14.251 0.550 -4.752 552 HB3 ASN 74 3HB ASN 74 -12.607 1.091 -4.397 553 HD21 ASN 74 1HD2 ASN 74 -15.786 2.195 -5.664 554 HD22 ASN 74 2HD2 ASN 74 -15.542 3.866 -5.176 555 H PHE 75 H PHE 75 -10.495 0.626 -6.220 556 HA PHE 75 HA PHE 75 -9.749 3.241 -7.442 557 HB2 PHE 75 2HB PHE 75 -8.186 1.280 -5.746 558 HB3 PHE 75 3HB PHE 75 -7.493 2.718 -6.478 559 HD1 PHE 75 HD2 PHE 75 -8.503 5.015 -5.914 560 HD2 PHE 75 HD1 PHE 75 -9.294 1.445 -3.632 561 HE1 PHE 75 HE2 PHE 75 -9.260 6.405 -3.997 562 HE2 PHE 75 HE1 PHE 75 -10.052 2.835 -1.719 563 HZ PHE 75 HZ PHE 75 -10.046 5.313 -1.904 564 H GLN 76 H GLN 76 -10.354 0.316 -8.726 565 HA GLN 76 HA GLN 76 -9.592 -1.030 -10.326 566 HB2 GLN 76 2HB GLN 76 -10.205 1.038 -11.588 567 HB3 GLN 76 3HB GLN 76 -8.485 1.453 -11.663 568 HG2 GLN 76 2HG GLN 76 -8.022 -0.645 -12.893 569 HG3 GLN 76 3HG GLN 76 -9.698 -1.157 -12.692 570 HE21 GLN 76 1HE2 GLN 76 -7.704 1.491 -14.169 571 HE22 GLN 76 2HE2 GLN 76 -8.839 1.770 -15.481 572 H VAL 77 H VAL 77 -8.170 -1.535 -8.346 573 HA VAL 77 HA VAL 77 -5.380 -1.970 -9.273 574 HB VAL 77 HB VAL 77 -4.669 -1.761 -6.961 575 HG11 VAL 77 1HG1 VAL 77 -4.558 0.180 -8.547 576 HG12 VAL 77 2HG1 VAL 77 -6.057 0.787 -7.824 577 HG13 VAL 77 3HG1 VAL 77 -4.603 0.622 -6.831 578 HG21 VAL 77 3HG2 VAL 77 -6.082 -0.545 -5.308 579 HG22 VAL 77 1HG2 VAL 77 -7.481 -0.780 -6.367 580 HG23 VAL 77 2HG2 VAL 77 -6.639 -2.179 -5.665 581 H VAL 78 H VAL 78 -7.568 -3.634 -9.782 582 HA VAL 78 HA VAL 78 -7.787 -5.762 -7.858 583 HB VAL 78 HB VAL 78 -8.991 -6.980 -9.645 584 HG11 VAL 78 1HG1 VAL 78 -10.159 -5.381 -8.169 585 HG12 VAL 78 2HG1 VAL 78 -9.870 -4.084 -9.354 586 HG13 VAL 78 3HG1 VAL 78 -10.895 -5.469 -9.777 587 HG21 VAL 78 3HG2 VAL 78 -9.513 -5.911 -11.776 588 HG22 VAL 78 1HG2 VAL 78 -8.465 -4.535 -11.401 589 HG23 VAL 78 2HG2 VAL 78 -7.768 -6.152 -11.648 590 H SER 79 H SER 79 -5.466 -5.195 -10.396 591 HA SER 79 HA SER 79 -4.308 -7.877 -10.427 592 HB2 SER 79 2HB SER 79 -3.088 -5.182 -11.151 593 HB3 SER 79 3HB SER 79 -2.386 -6.777 -11.491 594 HG SER 79 HG SER 79 -3.536 -5.936 -13.299 595 H ILE 80 H ILE 80 -2.459 -8.587 -9.246 596 HA ILE 80 HA ILE 80 -1.781 -6.955 -6.868 597 HB ILE 80 HB ILE 80 -2.026 -9.099 -5.495 598 HG12 ILE 80 2HG1 ILE 80 -3.787 -9.973 -7.817 599 HG13 ILE 80 3HG1 ILE 80 -2.201 -10.654 -7.433 600 HG21 ILE 80 1HG2 ILE 80 -3.541 -7.082 -5.436 601 HG22 ILE 80 2HG2 ILE 80 -4.604 -7.915 -6.584 602 HG23 ILE 80 3HG2 ILE 80 -4.311 -8.597 -4.971 603 HD11 ILE 80 3HD1 ILE 80 -4.683 -10.767 -5.684 604 HD12 ILE 80 1HD1 ILE 80 -3.895 -12.085 -6.563 605 HD13 ILE 80 2HD1 ILE 80 -3.066 -11.328 -5.185 606 HA PRO 81 HA PRO 81 -0.503 -7.015 -4.961 607 HB2 PRO 81 2HB PRO 81 1.902 -5.819 -4.423 608 HB3 PRO 81 3HB PRO 81 1.480 -7.448 -3.837 609 HG2 PRO 81 2HG PRO 81 3.073 -6.700 -6.304 610 HG3 PRO 81 3HG PRO 81 3.497 -7.914 -5.058 611 HD2 PRO 81 2HD PRO 81 2.348 -8.670 -7.386 612 HD3 PRO 81 3HD PRO 81 1.868 -9.433 -5.843 613 H THR 82 H THR 82 -1.019 -4.823 -4.922 614 HA THR 82 HA THR 82 0.272 -3.016 -6.906 615 HB THR 82 HB THR 82 -2.727 -3.157 -6.473 616 HG1 THR 82 HG1 THR 82 -2.335 -4.337 -8.176 617 HG21 THR 82 3HG2 THR 82 -2.253 -0.806 -6.480 618 HG22 THR 82 1HG2 THR 82 -2.644 -1.201 -8.161 619 HG23 THR 82 2HG2 THR 82 -0.953 -0.986 -7.676 620 H LEU 83 H LEU 83 1.154 -1.394 -5.933 621 HA LEU 83 HA LEU 83 0.304 -0.539 -3.210 622 HB2 LEU 83 2HB LEU 83 2.860 -0.165 -4.801 623 HB3 LEU 83 3HB LEU 83 2.491 0.724 -3.338 624 HG LEU 83 HG LEU 83 2.422 -1.396 -2.040 625 HD11 LEU 83 1HD1 LEU 83 3.532 -3.424 -3.055 626 HD12 LEU 83 2HD1 LEU 83 3.356 -2.670 -4.656 627 HD13 LEU 83 3HD1 LEU 83 1.927 -3.113 -3.689 628 HD21 LEU 83 3HD2 LEU 83 4.489 -0.042 -2.213 629 HD22 LEU 83 1HD2 LEU 83 4.961 -0.947 -3.667 630 HD23 LEU 83 2HD2 LEU 83 4.866 -1.762 -2.091 631 H ILE 84 H ILE 84 -0.708 1.372 -2.990 632 HA ILE 84 HA ILE 84 -0.526 3.429 -5.166 633 HB ILE 84 HB ILE 84 -2.819 2.860 -3.252 634 HG12 ILE 84 2HG1 ILE 84 -2.737 1.519 -5.395 635 HG13 ILE 84 3HG1 ILE 84 -4.190 2.482 -5.151 636 HG21 ILE 84 1HG2 ILE 84 -2.586 5.267 -3.285 637 HG22 ILE 84 2HG2 ILE 84 -2.369 5.301 -5.034 638 HG23 ILE 84 3HG2 ILE 84 -3.941 4.855 -4.331 639 HD11 ILE 84 3HD1 ILE 84 -3.461 4.161 -6.747 640 HD12 ILE 84 1HD1 ILE 84 -1.858 3.419 -6.863 641 HD13 ILE 84 2HD1 ILE 84 -3.288 2.569 -7.499 642 H LEU 85 H LEU 85 0.379 5.292 -4.608 643 HA LEU 85 HA LEU 85 0.655 5.904 -1.711 644 HB2 LEU 85 2HB LEU 85 2.768 5.997 -2.983 645 HB3 LEU 85 3HB LEU 85 2.043 7.182 -4.075 646 HG LEU 85 HG LEU 85 1.779 8.770 -2.171 647 HD11 LEU 85 1HD1 LEU 85 2.985 8.364 -0.065 648 HD12 LEU 85 2HD1 LEU 85 3.345 6.701 -0.584 649 HD13 LEU 85 3HD1 LEU 85 1.669 7.215 -0.264 650 HD21 LEU 85 3HD2 LEU 85 3.788 8.839 -3.605 651 HD22 LEU 85 1HD2 LEU 85 4.606 7.698 -2.513 652 HD23 LEU 85 2HD2 LEU 85 4.152 9.320 -1.939 653 H PHE 86 H PHE 86 -0.733 7.218 -0.807 654 HA PHE 86 HA PHE 86 -2.097 9.319 -2.416 655 HB2 PHE 86 2HB PHE 86 -2.752 8.294 0.364 656 HB3 PHE 86 3HB PHE 86 -3.612 9.555 -0.486 657 HD1 PHE 86 HD1 PHE 86 -2.851 5.891 -0.504 658 HD2 PHE 86 HD2 PHE 86 -5.452 9.017 -1.920 659 HE1 PHE 86 HE1 PHE 86 -4.430 4.190 -1.388 660 HE2 PHE 86 HE2 PHE 86 -7.017 7.320 -2.812 661 HZ PHE 86 HZ PHE 86 -6.510 4.902 -2.556 662 H LYS 87 H LYS 87 -1.617 11.472 -1.915 663 HA LYS 87 HA LYS 87 0.659 11.872 -0.006 664 HB2 LYS 87 2HB LYS 87 0.546 12.604 -2.538 665 HB3 LYS 87 3HB LYS 87 -0.367 13.970 -1.916 666 HG2 LYS 87 2HG LYS 87 1.835 14.745 -1.990 667 HG3 LYS 87 3HG LYS 87 1.646 14.316 -0.286 668 HD2 LYS 87 2HD LYS 87 2.742 12.080 -0.814 669 HD3 LYS 87 3HD LYS 87 3.006 12.639 -2.461 670 HE2 LYS 87 2HE LYS 87 4.150 13.908 0.069 671 HE3 LYS 87 3HE LYS 87 5.018 12.835 -1.033 672 HZ1 LYS 87 3HZ LYS 87 3.958 15.520 -1.748 673 HZ2 LYS 87 1HZ LYS 87 4.710 14.511 -2.795 674 HZ3 LYS 87 2HZ LYS 87 5.525 15.139 -1.529 675 H ASP 88 H ASP 88 -2.576 13.042 -0.573 676 HA ASP 88 HA ASP 88 -2.888 13.994 2.208 677 HB2 ASP 88 2HB ASP 88 -1.962 15.938 1.012 678 HB3 ASP 88 3HB ASP 88 -3.192 15.789 -0.237 679 H GLY 89 H GLY 89 -4.051 11.810 1.679 680 HA2 GLY 89 2HA GLY 89 -5.905 10.572 1.306 681 HA3 GLY 89 3HA GLY 89 -6.872 12.032 1.489 682 H GLN 90 H GLN 90 -4.554 11.966 -1.079 683 HA GLN 90 HA GLN 90 -6.545 11.225 -3.136 684 HB2 GLN 90 2HB GLN 90 -5.958 13.179 -4.482 685 HB3 GLN 90 3HB GLN 90 -6.679 13.610 -2.935 686 HG2 GLN 90 2HG GLN 90 -4.142 13.888 -2.155 687 HG3 GLN 90 3HG GLN 90 -3.832 13.996 -3.884 688 HE21 GLN 90 1HE2 GLN 90 -5.593 15.467 -1.127 689 HE22 GLN 90 2HE2 GLN 90 -5.790 17.035 -1.904 690 HA PRO 91 HA PRO 91 -3.079 8.768 -4.300 691 HB2 PRO 91 2HB PRO 91 -3.847 7.760 -6.704 692 HB3 PRO 91 3HB PRO 91 -4.631 7.320 -5.155 693 HG2 PRO 91 2HG PRO 91 -5.543 9.398 -7.174 694 HG3 PRO 91 3HG PRO 91 -6.513 8.103 -6.404 695 HD2 PRO 91 2HD PRO 91 -6.505 10.656 -5.450 696 HD3 PRO 91 3HD PRO 91 -6.589 9.249 -4.347 697 H VAL 92 H VAL 92 -1.147 8.985 -5.247 698 HA VAL 92 HA VAL 92 -0.752 10.961 -7.471 699 HB VAL 92 HB VAL 92 1.356 11.645 -6.387 700 HG11 VAL 92 1HG1 VAL 92 -0.737 12.966 -6.191 701 HG12 VAL 92 2HG1 VAL 92 -1.086 12.157 -4.649 702 HG13 VAL 92 3HG1 VAL 92 0.360 13.179 -4.821 703 HG21 VAL 92 3HG2 VAL 92 0.334 10.280 -3.865 704 HG22 VAL 92 1HG2 VAL 92 1.668 9.664 -4.868 705 HG23 VAL 92 2HG2 VAL 92 1.818 11.228 -4.066 706 H LYS 93 H LYS 93 0.193 7.819 -6.197 707 HA LYS 93 HA LYS 93 1.494 7.268 -8.788 708 HB2 LYS 93 2HB LYS 93 3.323 8.101 -7.316 709 HB3 LYS 93 3HB LYS 93 2.985 6.809 -6.160 710 HG2 LYS 93 2HG LYS 93 3.583 5.106 -7.808 711 HG3 LYS 93 3HG LYS 93 3.769 6.328 -9.070 712 HD2 LYS 93 2HD LYS 93 5.496 6.109 -6.559 713 HD3 LYS 93 3HD LYS 93 5.909 5.474 -8.158 714 HE2 LYS 93 2HE LYS 93 5.638 7.853 -9.058 715 HE3 LYS 93 3HE LYS 93 5.552 8.396 -7.375 716 HZ1 LYS 93 3HZ LYS 93 7.822 8.530 -8.187 717 HZ2 LYS 93 1HZ LYS 93 7.819 6.927 -8.620 718 HZ3 LYS 93 2HZ LYS 93 7.763 7.352 -7.046 719 H ARG 94 H ARG 94 1.429 5.171 -9.407 720 HA ARG 94 HA ARG 94 0.377 3.080 -7.561 721 HB2 ARG 94 2HB ARG 94 -1.392 3.782 -9.192 722 HB3 ARG 94 3HB ARG 94 -0.315 3.338 -10.518 723 HG2 ARG 94 2HG ARG 94 -0.292 0.978 -9.713 724 HG3 ARG 94 3HG ARG 94 -1.290 1.434 -8.337 725 HD2 ARG 94 2HD ARG 94 -2.694 0.381 -9.947 726 HD3 ARG 94 3HD ARG 94 -3.115 2.103 -9.937 727 HE ARG 94 HE ARG 94 -1.209 1.831 -11.958 728 HH11 ARG 94 1HH2 ARG 94 -4.409 0.418 -11.442 729 HH12 ARG 94 2HH2 ARG 94 -4.617 0.122 -13.136 730 HH21 ARG 94 1HH1 ARG 94 -1.607 1.459 -14.100 731 HH22 ARG 94 2HH1 ARG 94 -3.102 0.727 -14.596 732 H ILE 95 H ILE 95 1.534 1.264 -7.477 733 HA ILE 95 HA ILE 95 3.534 0.599 -9.599 734 HB ILE 95 HB ILE 95 4.050 0.334 -6.601 735 HG12 ILE 95 2HG1 ILE 95 5.253 2.461 -8.420 736 HG13 ILE 95 3HG1 ILE 95 4.027 2.750 -7.183 737 HG21 ILE 95 1HG2 ILE 95 5.216 -1.307 -8.043 738 HG22 ILE 95 2HG2 ILE 95 5.924 0.035 -8.984 739 HG23 ILE 95 3HG2 ILE 95 6.352 -0.215 -7.277 740 HD11 ILE 95 3HD1 ILE 95 5.608 1.900 -5.434 741 HD12 ILE 95 1HD1 ILE 95 6.883 1.882 -6.678 742 HD13 ILE 95 2HD1 ILE 95 6.093 3.403 -6.238 743 H VAL 96 H VAL 96 3.406 -1.410 -10.308 744 HA VAL 96 HA VAL 96 1.637 -3.288 -8.828 745 HB VAL 96 HB VAL 96 0.634 -3.881 -10.826 746 HG11 VAL 96 1HG1 VAL 96 -0.638 -1.929 -11.414 747 HG12 VAL 96 2HG1 VAL 96 -0.246 -1.856 -9.691 748 HG13 VAL 96 3HG1 VAL 96 0.656 -0.854 -10.851 749 HG21 VAL 96 3HG2 VAL 96 2.401 -1.908 -12.323 750 HG22 VAL 96 1HG2 VAL 96 2.430 -3.679 -12.489 751 HG23 VAL 96 2HG2 VAL 96 1.012 -2.770 -13.014 752 H GLY 97 H GLY 97 2.023 -5.435 -8.891 753 HA2 GLY 97 2HA GLY 97 3.222 -7.412 -9.128 754 HA3 GLY 97 3HA GLY 97 4.253 -6.674 -10.350 755 H ALA 98 H ALA 98 5.383 -8.328 -8.445 756 HA ALA 98 HA ALA 98 6.151 -7.080 -6.030 757 HB1 ALA 98 3HB ALA 98 6.208 -9.506 -6.392 758 HB2 ALA 98 1HB ALA 98 7.537 -9.320 -7.560 759 HB3 ALA 98 2HB ALA 98 7.785 -8.921 -5.846 760 H LYS 99 H LYS 99 8.126 -6.260 -5.277 761 HA LYS 99 HA LYS 99 10.092 -5.180 -7.232 762 HB2 LYS 99 2HB LYS 99 8.759 -3.587 -4.989 763 HB3 LYS 99 3HB LYS 99 10.104 -3.011 -5.963 764 HG2 LYS 99 2HG LYS 99 7.338 -3.696 -7.026 765 HG3 LYS 99 3HG LYS 99 7.874 -2.080 -6.595 766 HD2 LYS 99 2HD LYS 99 9.438 -1.940 -8.342 767 HD3 LYS 99 3HD LYS 99 9.460 -3.672 -8.641 768 HE2 LYS 99 2HE LYS 99 7.109 -1.826 -9.202 769 HE3 LYS 99 3HE LYS 99 8.272 -2.412 -10.389 770 HZ1 LYS 99 3HZ LYS 99 7.544 -4.694 -9.875 771 HZ2 LYS 99 1HZ LYS 99 6.259 -3.791 -10.390 772 HZ3 LYS 99 2HZ LYS 99 6.434 -4.143 -8.818 773 H GLY 100 H GLY 100 12.169 -4.960 -6.469 774 HA2 GLY 100 2HA GLY 100 12.866 -6.100 -3.809 775 HA3 GLY 100 3HA GLY 100 13.988 -5.693 -5.110 776 H LYS 101 H LYS 101 14.309 -4.806 -2.468 777 HA LYS 101 HA LYS 101 13.394 -2.296 -1.733 778 HB2 LYS 101 2HB LYS 101 14.998 -3.915 -0.518 779 HB3 LYS 101 3HB LYS 101 16.294 -3.189 -1.440 780 HG2 LYS 101 2HG LYS 101 16.280 -2.192 0.710 781 HG3 LYS 101 3HG LYS 101 15.758 -0.956 -0.434 782 HD2 LYS 101 2HD LYS 101 13.393 -1.327 0.221 783 HD3 LYS 101 3HD LYS 101 13.884 -2.621 1.320 784 HE2 LYS 101 2HE LYS 101 14.629 0.338 1.549 785 HE3 LYS 101 3HE LYS 101 13.401 -0.527 2.474 786 HZ1 LYS 101 3HZ LYS 101 16.319 -1.018 2.619 787 HZ2 LYS 101 1HZ LYS 101 15.207 -1.997 3.321 788 HZ3 LYS 101 2HZ LYS 101 15.355 -0.442 3.814 789 H ALA 102 H ALA 102 15.879 -2.877 -4.106 790 HA ALA 102 HA ALA 102 16.675 -0.086 -4.326 791 HB1 ALA 102 3HB ALA 102 17.075 -2.384 -6.297 792 HB2 ALA 102 1HB ALA 102 17.964 -0.843 -6.266 793 HB3 ALA 102 2HB ALA 102 18.144 -1.989 -4.930 794 H ALA 103 H ALA 103 14.251 -2.042 -6.059 795 HA ALA 103 HA ALA 103 13.587 0.055 -7.986 796 HB1 ALA 103 3HB ALA 103 12.160 -2.531 -7.247 797 HB2 ALA 103 1HB ALA 103 11.817 -1.494 -8.652 798 HB3 ALA 103 2HB ALA 103 13.374 -2.333 -8.531 799 H LEU 104 H LEU 104 12.052 -1.317 -5.016 800 HA LEU 104 HA LEU 104 9.868 0.517 -5.054 801 HB2 LEU 104 2HB LEU 104 9.923 -1.658 -3.786 802 HB3 LEU 104 3HB LEU 104 11.055 -0.929 -2.645 803 HG LEU 104 HG LEU 104 9.330 0.801 -2.087 804 HD11 LEU 104 1HD1 LEU 104 7.960 0.826 -4.119 805 HD12 LEU 104 2HD1 LEU 104 6.964 0.372 -2.746 806 HD13 LEU 104 3HD1 LEU 104 7.522 -0.885 -3.873 807 HD21 LEU 104 3HD2 LEU 104 8.453 -2.085 -1.739 808 HD22 LEU 104 1HD2 LEU 104 7.796 -0.693 -0.847 809 HD23 LEU 104 2HD2 LEU 104 9.492 -1.122 -0.654 810 H LEU 105 H LEU 105 13.067 0.684 -3.333 811 HA LEU 105 HA LEU 105 12.379 3.287 -2.302 812 HB2 LEU 105 2HB LEU 105 13.930 1.760 -1.102 813 HB3 LEU 105 3HB LEU 105 15.141 2.076 -2.346 814 HG LEU 105 HG LEU 105 15.205 4.472 -1.749 815 HD11 LEU 105 1HD1 LEU 105 14.069 5.281 0.321 816 HD12 LEU 105 2HD1 LEU 105 13.143 3.763 0.394 817 HD13 LEU 105 3HD1 LEU 105 12.914 4.907 -0.952 818 HD21 LEU 105 3HD2 LEU 105 15.427 2.679 0.691 819 HD22 LEU 105 1HD2 LEU 105 16.222 4.251 0.449 820 HD23 LEU 105 2HD2 LEU 105 16.659 2.876 -0.577 821 H ARG 106 H ARG 106 14.057 2.403 -5.467 822 HA ARG 106 HA ARG 106 14.644 5.249 -5.781 823 HB2 ARG 106 2HB ARG 106 15.055 4.939 -8.042 824 HB3 ARG 106 3HB ARG 106 15.720 3.566 -7.169 825 HG2 ARG 106 2HG ARG 106 13.659 2.258 -7.876 826 HG3 ARG 106 3HG ARG 106 13.186 3.638 -8.874 827 HD2 ARG 106 2HD ARG 106 14.295 2.023 -10.269 828 HD3 ARG 106 3HD ARG 106 15.368 3.425 -10.089 829 HE ARG 106 HE ARG 106 15.955 1.481 -8.057 830 HH11 ARG 106 2HH1 ARG 106 16.382 1.857 -11.520 831 HH12 ARG 106 1HH1 ARG 106 17.823 0.879 -11.546 832 HH21 ARG 106 1HH2 ARG 106 17.843 0.298 -8.160 833 HH22 ARG 106 2HH2 ARG 106 18.608 -0.001 -9.692 834 H GLU 107 H GLU 107 11.724 3.335 -6.597 835 HA GLU 107 HA GLU 107 10.285 5.607 -7.603 836 HB2 GLU 107 2HB GLU 107 9.390 2.913 -6.555 837 HB3 GLU 107 3HB GLU 107 8.242 4.134 -7.089 838 HG2 GLU 107 2HG GLU 107 10.467 2.955 -8.794 839 HG3 GLU 107 3HG GLU 107 8.758 2.533 -8.869 840 H LEU 108 H LEU 108 10.701 4.565 -4.247 841 HA LEU 108 HA LEU 108 8.887 6.772 -3.378 842 HB2 LEU 108 2HB LEU 108 10.168 4.503 -1.835 843 HB3 LEU 108 3HB LEU 108 9.087 5.710 -1.142 844 HG LEU 108 HG LEU 108 8.357 3.777 -3.379 845 HD11 LEU 108 1HD1 LEU 108 7.499 3.825 -0.461 846 HD12 LEU 108 2HD1 LEU 108 8.734 2.760 -1.160 847 HD13 LEU 108 3HD1 LEU 108 7.059 2.609 -1.694 848 HD21 LEU 108 3HD2 LEU 108 6.963 5.786 -3.572 849 HD22 LEU 108 1HD2 LEU 108 6.605 5.737 -1.828 850 HD23 LEU 108 2HD2 LEU 108 6.004 4.464 -2.916 851 H SER 109 H SER 109 12.295 6.175 -3.607 852 HA SER 109 HA SER 109 13.032 8.370 -1.884 853 HB2 SER 109 2HB SER 109 14.683 6.694 -2.420 854 HB3 SER 109 3HB SER 109 14.673 7.202 -4.129 855 HG SER 109 HG SER 109 15.232 8.898 -1.905 856 H ASP 110 H ASP 110 11.933 8.035 -5.242 857 HA ASP 110 HA ASP 110 12.123 10.694 -6.180 858 HB2 ASP 110 2HB ASP 110 11.177 8.661 -7.329 859 HB3 ASP 110 3HB ASP 110 9.756 8.804 -6.292 860 H VAL 111 H VAL 111 10.302 9.534 -3.392 861 HA VAL 111 HA VAL 111 9.052 12.198 -2.942 862 HB VAL 111 HB VAL 111 8.399 9.441 -1.829 863 HG11 VAL 111 1HG1 VAL 111 6.423 10.560 -0.817 864 HG12 VAL 111 2HG1 VAL 111 7.949 11.093 -0.111 865 HG13 VAL 111 3HG1 VAL 111 7.115 12.140 -1.281 866 HG21 VAL 111 3HG2 VAL 111 7.632 9.743 -4.153 867 HG22 VAL 111 1HG2 VAL 111 6.270 9.752 -3.042 868 HG23 VAL 111 2HG2 VAL 111 6.865 11.285 -3.712 869 H VAL 112 H VAL 112 11.194 9.748 -1.508 870 HA VAL 112 HA VAL 112 12.111 11.681 0.602 871 HB VAL 112 HB VAL 112 12.340 8.654 0.721 872 HG11 VAL 112 1HG1 VAL 112 12.641 10.906 2.779 873 HG12 VAL 112 2HG1 VAL 112 12.713 9.180 3.153 874 HG13 VAL 112 3HG1 VAL 112 13.958 9.904 2.132 875 HG21 VAL 112 3HG2 VAL 112 10.505 8.796 2.422 876 HG22 VAL 112 1HG2 VAL 112 10.237 10.487 1.951 877 HG23 VAL 112 2HG2 VAL 112 9.952 9.170 0.792 878 HA PRO 113 HA PRO 113 15.487 11.238 -2.503 879 HB2 PRO 113 2HB PRO 113 16.313 13.845 -2.617 880 HB3 PRO 113 3HB PRO 113 14.878 13.228 -3.488 881 HG2 PRO 113 2HG PRO 113 14.949 14.606 -0.778 882 HG3 PRO 113 3HG PRO 113 13.934 15.022 -2.201 883 HD2 PRO 113 2HD PRO 113 12.957 13.484 -0.215 884 HD3 PRO 113 3HD PRO 113 12.593 13.090 -1.925 885 H ASN 114 H ASN 114 15.428 11.822 0.803 886 HA ASN 114 HA ASN 114 18.199 12.467 1.293 887 HB2 ASN 114 2HB ASN 114 16.212 12.818 2.839 888 HB3 ASN 114 3HB ASN 114 16.231 11.082 3.162 889 HD21 ASN 114 2HD2 ASN 114 17.682 10.338 4.746 890 HD22 ASN 114 1HD2 ASN 114 18.864 11.410 5.507 891 H LEU 115 H LEU 115 16.640 9.474 0.512 892 HA LEU 115 HA LEU 115 17.168 7.318 0.349 893 HB2 LEU 115 2HB LEU 115 19.963 8.437 0.064 894 HB3 LEU 115 3HB LEU 115 19.635 6.719 -0.052 895 HG LEU 115 HG LEU 115 18.199 8.742 -1.816 896 HD11 LEU 115 1HD1 LEU 115 20.745 7.172 -2.402 897 HD12 LEU 115 2HD1 LEU 115 20.623 8.934 -2.194 898 HD13 LEU 115 3HD1 LEU 115 19.827 8.152 -3.568 899 HD21 LEU 115 3HD2 LEU 115 17.160 6.474 -1.666 900 HD22 LEU 115 1HD2 LEU 115 18.714 5.737 -2.103 901 HD23 LEU 115 2HD2 LEU 115 17.847 6.769 -3.263 902 H ASN 116 H ASN 116 19.458 8.656 2.740 903 HA ASN 116 HA ASN 116 19.248 6.323 4.520 904 HB2 ASN 116 2HB ASN 116 21.209 8.057 4.303 905 HB3 ASN 116 3HB ASN 116 20.196 9.110 5.286 906 HD21 ASN 116 1HD2 ASN 116 19.142 7.196 7.125 907 HD22 ASN 116 2HD2 ASN 116 20.511 6.637 8.099 Start of MODEL 12 1 H1 MET 1 1H MET 1 15.413 -6.155 23.023 2 H2 MET 1 2H MET 1 16.018 -7.537 23.660 3 HA MET 1 HA MET 1 14.064 -7.002 24.859 4 HB2 MET 1 2HB MET 1 16.554 -6.404 26.507 5 HB3 MET 1 3HB MET 1 14.938 -6.642 27.175 6 HG2 MET 1 2HG MET 1 16.546 -8.695 25.614 7 HG3 MET 1 3HG MET 1 16.238 -8.680 27.346 8 HE1 MET 1 3HE MET 1 15.461 -11.185 27.292 9 HE2 MET 1 1HE MET 1 14.225 -11.819 26.182 10 HE3 MET 1 2HE MET 1 15.778 -11.238 25.541 11 H THR 2 H THR 2 16.255 -4.246 25.804 12 HA THR 2 HA THR 2 14.020 -2.425 26.094 13 HB THR 2 HB THR 2 15.882 -0.699 26.183 14 HG1 THR 2 HG1 THR 2 17.974 -1.532 26.315 15 HG21 THR 2 3HG2 THR 2 16.737 -1.445 28.357 16 HG22 THR 2 1HG2 THR 2 16.193 -3.108 28.036 17 HG23 THR 2 2HG2 THR 2 15.006 -1.799 28.229 18 H ASP 3 H ASP 3 16.366 -3.044 23.523 19 HA ASP 3 HA ASP 3 14.678 -1.533 21.573 20 HB2 ASP 3 2HB ASP 3 17.086 -0.972 21.588 21 HB3 ASP 3 3HB ASP 3 17.487 -2.666 21.302 22 H SER 4 H SER 4 13.946 -2.645 19.671 23 HA SER 4 HA SER 4 14.170 -5.569 19.520 24 HB2 SER 4 2HB SER 4 12.252 -5.036 21.124 25 HB3 SER 4 3HB SER 4 11.409 -4.318 19.742 26 HG SER 4 HG SER 4 12.352 -7.009 20.014 27 H GLU 5 H GLU 5 13.338 -6.444 17.541 28 HA GLU 5 HA GLU 5 13.838 -4.588 15.303 29 HB2 GLU 5 2HB GLU 5 13.744 -7.621 15.414 30 HB3 GLU 5 3HB GLU 5 14.218 -6.657 14.014 31 HG2 GLU 5 2HG GLU 5 16.054 -5.690 15.317 32 HG3 GLU 5 3HG GLU 5 15.645 -6.757 16.658 33 H LYS 6 H LYS 6 11.060 -5.088 16.724 34 HA LYS 6 HA LYS 6 9.302 -6.257 14.812 35 HB2 LYS 6 2HB LYS 6 8.686 -4.238 17.009 36 HB3 LYS 6 3HB LYS 6 7.489 -5.195 16.126 37 HG2 LYS 6 2HG LYS 6 8.566 -7.291 16.965 38 HG3 LYS 6 3HG LYS 6 9.697 -6.307 17.907 39 HD2 LYS 6 2HD LYS 6 7.728 -5.286 19.119 40 HD3 LYS 6 3HD LYS 6 6.666 -6.363 18.203 41 HE2 LYS 6 2HE LYS 6 6.975 -7.445 20.281 42 HE3 LYS 6 3HE LYS 6 7.984 -8.327 19.131 43 HZ1 LYS 6 3HZ LYS 6 9.906 -7.002 19.986 44 HZ2 LYS 6 1HZ LYS 6 9.208 -7.900 21.163 45 HZ3 LYS 6 2HZ LYS 6 8.928 -6.296 21.088 46 H SER 7 H SER 7 8.007 -5.523 13.245 47 HA SER 7 HA SER 7 8.639 -2.947 11.977 48 HB2 SER 7 2HB SER 7 7.306 -3.913 10.094 49 HB3 SER 7 3HB SER 7 8.737 -4.851 10.555 50 HG SER 7 HG SER 7 6.915 -6.189 10.251 51 H ALA 8 H ALA 8 6.926 -1.633 11.002 52 HA ALA 8 HA ALA 8 4.418 -1.529 12.654 53 HB1 ALA 8 3HB ALA 8 6.180 0.786 11.770 54 HB2 ALA 8 1HB ALA 8 4.636 0.916 12.640 55 HB3 ALA 8 2HB ALA 8 6.029 0.142 13.420 56 H THR 9 H THR 9 2.813 -2.146 11.356 57 HA THR 9 HA THR 9 2.103 -0.426 9.078 58 HB THR 9 HB THR 9 1.279 -2.395 7.737 59 HG1 THR 9 HG1 THR 9 3.001 -3.764 9.517 60 HG21 THR 9 3HG2 THR 9 4.299 -2.258 8.037 61 HG22 THR 9 1HG2 THR 9 3.290 -1.179 7.043 62 HG23 THR 9 2HG2 THR 9 3.397 -2.902 6.654 63 H ILE 10 H ILE 10 -0.195 -0.650 8.483 64 HA ILE 10 HA ILE 10 -1.956 -1.712 10.653 65 HB ILE 10 HB ILE 10 -3.386 0.289 10.390 66 HG12 ILE 10 2HG1 ILE 10 -1.067 1.473 8.796 67 HG13 ILE 10 3HG1 ILE 10 -2.646 1.012 8.153 68 HG21 ILE 10 1HG2 ILE 10 -0.559 0.997 11.284 69 HG22 ILE 10 2HG2 ILE 10 -2.084 1.695 11.866 70 HG23 ILE 10 3HG2 ILE 10 -1.697 0.013 12.229 71 HD11 ILE 10 3HD1 ILE 10 -2.093 3.246 10.137 72 HD12 ILE 10 1HD1 ILE 10 -2.599 3.394 8.449 73 HD13 ILE 10 2HD1 ILE 10 -3.719 2.707 9.645 74 H LYS 11 H LYS 11 -4.151 -2.202 10.038 75 HA LYS 11 HA LYS 11 -4.455 -2.947 7.165 76 HB2 LYS 11 2HB LYS 11 -4.818 -4.692 8.870 77 HB3 LYS 11 3HB LYS 11 -6.122 -3.733 9.584 78 HG2 LYS 11 2HG LYS 11 -7.421 -3.904 7.481 79 HG3 LYS 11 3HG LYS 11 -6.083 -4.790 6.722 80 HD2 LYS 11 2HD LYS 11 -6.372 -6.632 8.365 81 HD3 LYS 11 3HD LYS 11 -7.639 -5.710 9.181 82 HE2 LYS 11 2HE LYS 11 -8.698 -7.377 7.810 83 HE3 LYS 11 3HE LYS 11 -9.040 -5.784 7.130 84 HZ1 LYS 11 3HZ LYS 11 -8.392 -7.417 5.407 85 HZ2 LYS 11 1HZ LYS 11 -6.950 -7.649 6.129 86 HZ3 LYS 11 2HZ LYS 11 -7.316 -6.190 5.470 87 H VAL 12 H VAL 12 -5.977 -2.103 5.840 88 HA VAL 12 HA VAL 12 -8.125 -0.366 6.937 89 HB VAL 12 HB VAL 12 -7.919 1.242 5.096 90 HG11 VAL 12 1HG1 VAL 12 -6.054 2.528 5.978 91 HG12 VAL 12 2HG1 VAL 12 -6.949 1.759 7.298 92 HG13 VAL 12 3HG1 VAL 12 -5.389 1.095 6.777 93 HG21 VAL 12 3HG2 VAL 12 -5.823 1.440 3.802 94 HG22 VAL 12 1HG2 VAL 12 -5.252 -0.101 4.474 95 HG23 VAL 12 2HG2 VAL 12 -6.680 -0.058 3.424 96 H THR 13 H THR 13 -10.031 -0.311 5.721 97 HA THR 13 HA THR 13 -10.345 -2.052 3.342 98 HB THR 13 HB THR 13 -12.367 -3.083 4.329 99 HG1 THR 13 HG1 THR 13 -12.626 -2.979 6.588 100 HG21 THR 13 3HG2 THR 13 -10.193 -4.318 4.435 101 HG22 THR 13 1HG2 THR 13 -11.316 -4.743 5.739 102 HG23 THR 13 2HG2 THR 13 -9.940 -3.671 6.071 103 H ASP 14 H ASP 14 -12.402 -1.630 2.220 104 HA ASP 14 HA ASP 14 -12.848 1.002 1.654 105 HB2 ASP 14 2HB ASP 14 -13.565 -0.987 0.346 106 HB3 ASP 14 3HB ASP 14 -14.894 -1.236 1.477 107 H ALA 15 H ALA 15 -14.517 -0.753 4.250 108 HA ALA 15 HA ALA 15 -16.634 1.105 4.729 109 HB1 ALA 15 3HB ALA 15 -16.616 -1.244 5.490 110 HB2 ALA 15 1HB ALA 15 -15.265 -0.884 6.593 111 HB3 ALA 15 2HB ALA 15 -16.854 -0.133 6.851 112 H SER 16 H SER 16 -13.255 1.284 5.588 113 HA SER 16 HA SER 16 -13.725 3.767 7.204 114 HB2 SER 16 2HB SER 16 -11.692 1.576 7.767 115 HB3 SER 16 3HB SER 16 -11.848 3.106 8.650 116 HG SER 16 HG SER 16 -12.925 1.376 9.712 117 H PHE 17 H PHE 17 -12.349 2.615 4.390 118 HA PHE 17 HA PHE 17 -9.727 3.498 4.371 119 HB2 PHE 17 2HB PHE 17 -11.064 2.103 2.677 120 HB3 PHE 17 3HB PHE 17 -11.592 3.611 1.969 121 HD1 PHE 17 HD2 PHE 17 -9.704 5.236 1.114 122 HD2 PHE 17 HD1 PHE 17 -9.065 1.080 2.074 123 HE1 PHE 17 HE2 PHE 17 -7.675 5.215 -0.312 124 HE2 PHE 17 HE1 PHE 17 -7.081 1.047 0.598 125 HZ PHE 17 HZ PHE 17 -6.373 3.124 -0.588 126 H ALA 18 H ALA 18 -12.627 5.439 3.497 127 HA ALA 18 HA ALA 18 -11.108 7.741 2.740 128 HB1 ALA 18 3HB ALA 18 -13.285 8.892 2.764 129 HB2 ALA 18 1HB ALA 18 -13.390 7.322 1.947 130 HB3 ALA 18 2HB ALA 18 -14.018 7.507 3.605 131 H THR 19 H THR 19 -12.355 6.659 5.870 132 HA THR 19 HA THR 19 -11.766 9.159 7.263 133 HB THR 19 HB THR 19 -12.247 6.408 8.477 134 HG1 THR 19 HG1 THR 19 -14.180 8.328 7.681 135 HG21 THR 19 3HG2 THR 19 -12.843 9.227 9.484 136 HG22 THR 19 1HG2 THR 19 -11.638 8.096 10.138 137 HG23 THR 19 2HG2 THR 19 -13.358 7.721 10.281 138 H ASP 20 H ASP 20 -10.020 6.122 6.682 139 HA ASP 20 HA ASP 20 -7.897 6.874 8.598 140 HB2 ASP 20 2HB ASP 20 -8.863 4.560 8.393 141 HB3 ASP 20 3HB ASP 20 -8.020 4.413 6.850 142 H VAL 21 H VAL 21 -8.059 6.123 5.086 143 HA VAL 21 HA VAL 21 -5.285 6.998 4.672 144 HB VAL 21 HB VAL 21 -7.307 6.049 2.607 145 HG11 VAL 21 1HG1 VAL 21 -5.372 5.508 1.257 146 HG12 VAL 21 2HG1 VAL 21 -5.302 7.218 1.685 147 HG13 VAL 21 3HG1 VAL 21 -4.271 6.045 2.538 148 HG21 VAL 21 3HG2 VAL 21 -7.019 4.273 4.294 149 HG22 VAL 21 1HG2 VAL 21 -6.241 3.843 2.778 150 HG23 VAL 21 2HG2 VAL 21 -5.250 4.410 4.144 151 H LEU 22 H LEU 22 -8.462 7.901 3.223 152 HA LEU 22 HA LEU 22 -7.224 10.112 1.861 153 HB2 LEU 22 2HB LEU 22 -10.194 9.623 2.119 154 HB3 LEU 22 3HB LEU 22 -9.369 10.575 0.900 155 HG LEU 22 HG LEU 22 -9.187 7.546 1.205 156 HD11 LEU 22 1HD1 LEU 22 -10.394 7.522 -0.930 157 HD12 LEU 22 2HD1 LEU 22 -10.466 9.295 -0.932 158 HD13 LEU 22 3HD1 LEU 22 -11.336 8.366 0.310 159 HD21 LEU 22 3HD2 LEU 22 -7.054 8.396 0.319 160 HD22 LEU 22 1HD2 LEU 22 -7.931 9.348 -0.899 161 HD23 LEU 22 2HD2 LEU 22 -7.975 7.577 -0.941 162 H SER 23 H SER 23 -8.620 9.952 4.983 163 HA SER 23 HA SER 23 -9.205 12.737 5.382 164 HB2 SER 23 2HB SER 23 -9.961 10.801 6.785 165 HB3 SER 23 3HB SER 23 -8.312 10.698 7.438 166 HG SER 23 HG SER 23 -9.719 11.956 8.757 167 H SER 24 H SER 24 -6.166 10.984 5.177 168 HA SER 24 HA SER 24 -4.694 12.673 7.002 169 HB2 SER 24 2HB SER 24 -4.247 10.247 6.591 170 HB3 SER 24 3HB SER 24 -3.534 10.704 5.025 171 HG SER 24 HG SER 24 -2.018 10.602 6.810 172 H ASN 25 H ASN 25 -3.516 14.416 6.680 173 HA ASN 25 HA ASN 25 -3.071 15.587 4.012 174 HB2 ASN 25 2HB ASN 25 -3.680 16.919 6.065 175 HB3 ASN 25 3HB ASN 25 -2.126 16.471 6.770 176 HD21 ASN 25 1HD2 ASN 25 -1.548 18.725 6.907 177 HD22 ASN 25 2HD2 ASN 25 -1.111 19.615 5.455 178 H LYS 26 H LYS 26 -1.387 13.499 6.229 179 HA LYS 26 HA LYS 26 1.331 13.962 5.252 180 HB2 LYS 26 2HB LYS 26 0.803 13.223 7.568 181 HB3 LYS 26 3HB LYS 26 0.098 11.738 6.926 182 HG2 LYS 26 2HG LYS 26 2.358 11.125 5.998 183 HG3 LYS 26 3HG LYS 26 3.030 12.562 6.800 184 HD2 LYS 26 2HD LYS 26 2.307 11.655 8.994 185 HD3 LYS 26 3HD LYS 26 1.526 10.291 8.169 186 HE2 LYS 26 2HE LYS 26 3.844 9.771 7.168 187 HE3 LYS 26 3HE LYS 26 4.502 10.902 8.357 188 HZ1 LYS 26 3HZ LYS 26 4.517 8.618 9.200 189 HZ2 LYS 26 1HZ LYS 26 2.894 8.471 8.967 190 HZ3 LYS 26 2HZ LYS 26 3.478 9.505 10.100 191 HA PRO 27 HA PRO 27 1.033 11.205 1.696 192 HB2 PRO 27 2HB PRO 27 3.802 10.350 2.503 193 HB3 PRO 27 3HB PRO 27 3.212 10.810 0.879 194 HG2 PRO 27 2HG PRO 27 4.698 12.536 2.348 195 HG3 PRO 27 3HG PRO 27 3.250 13.145 1.486 196 HD2 PRO 27 2HD PRO 27 3.519 12.405 4.397 197 HD3 PRO 27 3HD PRO 27 2.729 13.831 3.654 198 H VAL 28 H VAL 28 0.152 9.167 1.510 199 HA VAL 28 HA VAL 28 0.757 7.160 3.597 200 HB VAL 28 HB VAL 28 -1.134 8.324 4.440 201 HG11 VAL 28 1HG1 VAL 28 -2.099 9.266 2.375 202 HG12 VAL 28 2HG1 VAL 28 -2.631 7.640 1.889 203 HG13 VAL 28 3HG1 VAL 28 -3.299 8.407 3.341 204 HG21 VAL 28 3HG2 VAL 28 -1.014 5.888 4.790 205 HG22 VAL 28 1HG2 VAL 28 -2.684 6.468 4.734 206 HG23 VAL 28 2HG2 VAL 28 -1.994 5.620 3.335 207 H LEU 29 H LEU 29 1.163 5.287 2.876 208 HA LEU 29 HA LEU 29 0.701 4.573 0.016 209 HB2 LEU 29 2HB LEU 29 3.027 4.799 1.102 210 HB3 LEU 29 3HB LEU 29 2.594 3.394 2.060 211 HG LEU 29 HG LEU 29 3.089 3.532 -0.933 212 HD11 LEU 29 1HD1 LEU 29 4.440 2.032 1.342 213 HD12 LEU 29 2HD1 LEU 29 5.047 3.498 0.538 214 HD13 LEU 29 3HD1 LEU 29 4.907 1.991 -0.368 215 HD21 LEU 29 3HD2 LEU 29 2.864 0.973 -0.792 216 HD22 LEU 29 1HD2 LEU 29 1.365 1.879 -0.824 217 HD23 LEU 29 2HD2 LEU 29 1.985 1.215 0.716 218 H VAL 30 H VAL 30 -0.667 2.865 -0.415 219 HA VAL 30 HA VAL 30 -1.416 1.029 1.815 220 HB VAL 30 HB VAL 30 -3.343 1.875 -0.348 221 HG11 VAL 30 1HG1 VAL 30 -3.770 -0.334 0.665 222 HG12 VAL 30 2HG1 VAL 30 -3.637 0.366 2.292 223 HG13 VAL 30 3HG1 VAL 30 -4.972 0.827 1.226 224 HG21 VAL 30 3HG2 VAL 30 -2.973 3.869 1.002 225 HG22 VAL 30 1HG2 VAL 30 -4.534 3.153 1.397 226 HG23 VAL 30 2HG2 VAL 30 -3.158 2.930 2.498 227 H ASP 31 H ASP 31 -0.973 -1.014 1.444 228 HA ASP 31 HA ASP 31 -0.220 -1.939 -1.279 229 HB2 ASP 31 2HB ASP 31 1.467 -2.214 0.384 230 HB3 ASP 31 3HB ASP 31 0.335 -2.953 1.519 231 H PHE 32 H PHE 32 -1.603 -3.018 -2.434 232 HA PHE 32 HA PHE 32 -3.879 -4.549 -1.274 233 HB2 PHE 32 2HB PHE 32 -3.363 -3.429 -4.048 234 HB3 PHE 32 3HB PHE 32 -4.681 -4.507 -3.638 235 HD1 PHE 32 HD1 PHE 32 -3.203 -1.199 -2.483 236 HD2 PHE 32 HD2 PHE 32 -6.750 -3.569 -3.121 237 HE1 PHE 32 HE1 PHE 32 -4.622 0.706 -1.788 238 HE2 PHE 32 HE2 PHE 32 -8.145 -1.623 -2.475 239 HZ PHE 32 HZ PHE 32 -7.075 0.538 -1.863 240 H TRP 33 H TRP 33 -3.380 -6.569 -0.907 241 HA TRP 33 HA TRP 33 -1.531 -8.096 -2.683 242 HB2 TRP 33 2HB TRP 33 -0.089 -8.591 -0.877 243 HB3 TRP 33 3HB TRP 33 -0.340 -6.867 -0.803 244 HD1 TRP 33 HD1 TRP 33 -2.325 -6.127 1.076 245 HE1 TRP 33 HE1 TRP 33 -2.873 -7.114 3.384 246 HE3 TRP 33 HE3 TRP 33 0.339 -10.485 0.745 247 HZ2 TRP 33 HZ2 TRP 33 -2.273 -9.507 4.873 248 HZ3 TRP 33 HZ3 TRP 33 0.394 -12.061 2.652 249 HH2 TRP 33 HH2 TRP 33 -0.973 -11.631 4.678 250 H ALA 34 H ALA 34 -1.315 -10.467 -1.686 251 HA ALA 34 HA ALA 34 -3.689 -11.274 -0.151 252 HB1 ALA 34 3HB ALA 34 -2.946 -12.648 -2.774 253 HB2 ALA 34 1HB ALA 34 -4.212 -13.140 -1.630 254 HB3 ALA 34 2HB ALA 34 -4.368 -11.624 -2.526 255 H THR 35 H THR 35 -3.289 -12.772 1.341 256 HA THR 35 HA THR 35 -0.674 -13.793 1.802 257 HB THR 35 HB THR 35 -2.506 -13.449 3.479 258 HG1 THR 35 HG1 THR 35 -1.784 -15.212 4.723 259 HG21 THR 35 3HG2 THR 35 -4.012 -15.271 4.002 260 HG22 THR 35 1HG2 THR 35 -3.389 -16.252 2.660 261 HG23 THR 35 2HG2 THR 35 -4.306 -14.761 2.334 262 H TRP 36 H TRP 36 -3.080 -15.009 -0.352 263 HA TRP 36 HA TRP 36 -1.794 -17.645 -0.635 264 HB2 TRP 36 2HB TRP 36 -3.620 -17.992 -2.316 265 HB3 TRP 36 3HB TRP 36 -4.103 -17.738 -0.660 266 HD1 TRP 36 HD1 TRP 36 -5.898 -16.016 -0.195 267 HE1 TRP 36 HE1 TRP 36 -7.244 -14.341 -1.567 268 HE3 TRP 36 HE3 TRP 36 -3.102 -16.031 -4.514 269 HZ2 TRP 36 HZ2 TRP 36 -7.191 -13.197 -4.193 270 HZ3 TRP 36 HZ3 TRP 36 -3.725 -14.515 -6.381 271 HH2 TRP 36 HH2 TRP 36 -5.808 -13.171 -6.269 272 H CYS 37 H CYS 37 -0.821 -14.686 -1.752 273 HA CYS 37 HA CYS 37 -0.075 -15.686 -4.472 274 HB2 CYS 37 2HB CYS 37 -1.613 -13.793 -4.396 275 HB3 CYS 37 3HB CYS 37 -0.466 -12.877 -3.413 276 HG CYS 37 HG CYS 37 -0.392 -11.917 -5.818 277 H GLY 38 H GLY 38 1.975 -16.176 -4.871 278 HA2 GLY 38 2HA GLY 38 4.088 -15.977 -2.997 279 HA3 GLY 38 3HA GLY 38 4.262 -16.360 -4.706 280 HA PRO 39 HA PRO 39 5.870 -12.219 -5.555 281 HB2 PRO 39 2HB PRO 39 3.264 -11.349 -6.805 282 HB3 PRO 39 3HB PRO 39 4.935 -11.057 -7.385 283 HG2 PRO 39 2HG PRO 39 3.481 -13.043 -8.486 284 HG3 PRO 39 3HG PRO 39 5.184 -13.366 -8.014 285 HD2 PRO 39 2HD PRO 39 2.651 -14.086 -6.528 286 HD3 PRO 39 3HD PRO 39 4.115 -15.069 -6.801 287 H CYS 40 H CYS 40 2.546 -12.109 -4.148 288 HA CYS 40 HA CYS 40 2.902 -9.554 -2.840 289 HB2 CYS 40 2HB CYS 40 1.105 -11.916 -2.164 290 HB3 CYS 40 3HB CYS 40 1.068 -10.356 -1.360 291 HG CYS 40 HG CYS 40 0.580 -8.904 -3.470 292 H LYS 41 H LYS 41 3.474 -12.940 -1.696 293 HA LYS 41 HA LYS 41 4.603 -12.206 0.853 294 HB2 LYS 41 2HB LYS 41 5.172 -14.620 -0.926 295 HB3 LYS 41 3HB LYS 41 5.702 -14.468 0.740 296 HG2 LYS 41 2HG LYS 41 2.772 -14.421 -0.091 297 HG3 LYS 41 3HG LYS 41 3.654 -15.880 0.355 298 HD2 LYS 41 2HD LYS 41 4.078 -14.985 2.612 299 HD3 LYS 41 3HD LYS 41 3.237 -13.471 2.183 300 HE2 LYS 41 2HE LYS 41 1.193 -14.732 1.666 301 HE3 LYS 41 3HE LYS 41 1.989 -16.254 2.046 302 HZ1 LYS 41 3HZ LYS 41 2.139 -15.601 4.341 303 HZ2 LYS 41 1HZ LYS 41 0.589 -15.335 3.871 304 HZ3 LYS 41 2HZ LYS 41 1.619 -14.079 4.042 305 H MET 42 H MET 42 6.070 -12.298 -2.352 306 HA MET 42 HA MET 42 8.785 -11.938 -1.478 307 HB2 MET 42 2HB MET 42 8.111 -12.851 -3.680 308 HB3 MET 42 3HB MET 42 7.496 -11.261 -4.148 309 HG2 MET 42 2HG MET 42 9.762 -10.306 -3.891 310 HG3 MET 42 3HG MET 42 10.375 -11.902 -3.435 311 HE1 MET 42 3HE MET 42 11.544 -9.978 -5.748 312 HE2 MET 42 1HE MET 42 12.263 -11.542 -5.297 313 HE3 MET 42 2HE MET 42 11.910 -11.183 -7.002 314 H VAL 43 H VAL 43 6.322 -9.513 -2.573 315 HA VAL 43 HA VAL 43 8.254 -7.350 -2.067 316 HB VAL 43 HB VAL 43 6.668 -7.492 -4.016 317 HG11 VAL 43 1HG1 VAL 43 4.483 -6.457 -3.800 318 HG12 VAL 43 2HG1 VAL 43 4.561 -7.936 -2.826 319 HG13 VAL 43 3HG1 VAL 43 4.652 -6.343 -2.046 320 HG21 VAL 43 3HG2 VAL 43 8.025 -5.506 -3.490 321 HG22 VAL 43 1HG2 VAL 43 6.460 -5.076 -4.207 322 HG23 VAL 43 2HG2 VAL 43 6.720 -4.883 -2.465 323 H ALA 44 H ALA 44 5.556 -8.706 -0.262 324 HA ALA 44 HA ALA 44 4.861 -6.655 1.437 325 HB1 ALA 44 3HB ALA 44 3.747 -8.779 1.474 326 HB2 ALA 44 1HB ALA 44 5.206 -9.612 2.055 327 HB3 ALA 44 2HB ALA 44 4.362 -8.445 3.098 328 HA PRO 45 HA PRO 45 8.508 -7.302 4.480 329 HB2 PRO 45 2HB PRO 45 10.880 -8.389 3.602 330 HB3 PRO 45 3HB PRO 45 9.563 -9.329 4.366 331 HG2 PRO 45 2HG PRO 45 10.100 -8.955 1.402 332 HG3 PRO 45 3HG PRO 45 9.800 -10.487 2.287 333 HD2 PRO 45 2HD PRO 45 7.812 -9.267 0.978 334 HD3 PRO 45 3HD PRO 45 7.504 -9.966 2.590 335 H VAL 46 H VAL 46 9.138 -6.547 1.045 336 HA VAL 46 HA VAL 46 11.248 -4.622 1.587 337 HB VAL 46 HB VAL 46 9.494 -4.806 -0.898 338 HG11 VAL 46 1HG1 VAL 46 10.773 -2.683 -0.653 339 HG12 VAL 46 2HG1 VAL 46 12.239 -3.649 -0.392 340 HG13 VAL 46 3HG1 VAL 46 11.390 -3.685 -1.970 341 HG21 VAL 46 3HG2 VAL 46 10.614 -6.970 -0.547 342 HG22 VAL 46 1HG2 VAL 46 11.387 -6.100 -1.867 343 HG23 VAL 46 2HG2 VAL 46 12.166 -6.148 -0.270 344 H LEU 47 H LEU 47 7.742 -4.302 0.848 345 HA LEU 47 HA LEU 47 7.784 -1.452 1.370 346 HB2 LEU 47 2HB LEU 47 5.425 -1.469 0.999 347 HB3 LEU 47 3HB LEU 47 6.288 -2.383 -0.216 348 HG LEU 47 HG LEU 47 5.632 -4.468 1.317 349 HD11 LEU 47 1HD1 LEU 47 4.521 -3.185 3.122 350 HD12 LEU 47 2HD1 LEU 47 3.364 -4.203 2.263 351 HD13 LEU 47 3HD1 LEU 47 3.423 -2.460 1.933 352 HD21 LEU 47 3HD2 LEU 47 3.684 -4.800 -0.087 353 HD22 LEU 47 1HD2 LEU 47 5.002 -4.110 -1.030 354 HD23 LEU 47 2HD2 LEU 47 3.657 -3.072 -0.510 355 H GLU 48 H GLU 48 7.247 -4.251 3.475 356 HA GLU 48 HA GLU 48 6.346 -2.685 5.736 357 HB2 GLU 48 2HB GLU 48 5.914 -5.079 5.431 358 HB3 GLU 48 3HB GLU 48 7.641 -5.431 5.640 359 HG2 GLU 48 2HG GLU 48 7.576 -4.601 7.921 360 HG3 GLU 48 3HG GLU 48 5.913 -4.033 7.723 361 H GLU 49 H GLU 49 9.658 -3.698 4.645 362 HA GLU 49 HA GLU 49 11.048 -2.348 6.776 363 HB2 GLU 49 2HB GLU 49 11.778 -2.990 3.896 364 HB3 GLU 49 3HB GLU 49 12.818 -2.034 4.957 365 HG2 GLU 49 2HG GLU 49 12.928 -3.854 6.581 366 HG3 GLU 49 3HG GLU 49 11.873 -4.850 5.590 367 H ILE 50 H ILE 50 9.920 -1.122 3.542 368 HA ILE 50 HA ILE 50 10.751 1.578 4.013 369 HB ILE 50 HB ILE 50 8.576 0.393 2.272 370 HG12 ILE 50 2HG1 ILE 50 11.315 1.625 1.697 371 HG13 ILE 50 3HG1 ILE 50 10.965 -0.097 1.754 372 HG21 ILE 50 1HG2 ILE 50 8.370 2.581 1.132 373 HG22 ILE 50 2HG2 ILE 50 7.811 2.667 2.780 374 HG23 ILE 50 3HG2 ILE 50 9.416 3.322 2.363 375 HD11 ILE 50 3HD1 ILE 50 10.023 1.885 -0.321 376 HD12 ILE 50 1HD1 ILE 50 11.062 0.470 -0.533 377 HD13 ILE 50 2HD1 ILE 50 9.340 0.241 -0.165 378 H ALA 51 H ALA 51 7.657 -0.015 4.924 379 HA ALA 51 HA ALA 51 6.406 2.208 6.113 380 HB1 ALA 51 3HB ALA 51 6.295 -0.706 7.022 381 HB2 ALA 51 1HB ALA 51 5.083 0.537 7.291 382 HB3 ALA 51 2HB ALA 51 5.394 -0.057 5.643 383 H THR 52 H THR 52 8.675 -0.113 7.600 384 HA THR 52 HA THR 52 8.446 1.062 10.248 385 HB THR 52 HB THR 52 10.502 -0.906 9.177 386 HG1 THR 52 HG1 THR 52 8.522 -1.774 8.902 387 HG21 THR 52 3HG2 THR 52 10.615 -1.657 11.532 388 HG22 THR 52 1HG2 THR 52 9.517 -0.342 12.013 389 HG23 THR 52 2HG2 THR 52 11.141 0.023 11.382 390 H GLU 53 H GLU 53 10.880 1.278 7.631 391 HA GLU 53 HA GLU 53 12.670 2.936 9.244 392 HB2 GLU 53 2HB GLU 53 12.838 2.075 6.333 393 HB3 GLU 53 3HB GLU 53 14.106 2.879 7.265 394 HG2 GLU 53 2HG GLU 53 13.979 0.934 8.919 395 HG3 GLU 53 3HG GLU 53 12.992 0.083 7.755 396 H ARG 54 H ARG 54 10.160 3.657 6.902 397 HA ARG 54 HA ARG 54 10.906 6.566 6.994 398 HB2 ARG 54 2HB ARG 54 9.411 5.073 4.804 399 HB3 ARG 54 3HB ARG 54 9.643 6.800 4.853 400 HG2 ARG 54 2HG ARG 54 11.935 4.806 4.653 401 HG3 ARG 54 3HG ARG 54 11.172 5.659 3.314 402 HD2 ARG 54 2HD ARG 54 13.025 6.976 3.739 403 HD3 ARG 54 3HD ARG 54 11.728 7.846 4.550 404 HE ARG 54 HE ARG 54 13.092 5.985 6.325 405 HH11 ARG 54 1HH1 ARG 54 12.957 9.352 5.492 406 HH12 ARG 54 2HH1 ARG 54 14.334 9.746 6.470 407 HH21 ARG 54 2HH2 ARG 54 14.481 6.601 7.833 408 HH22 ARG 54 1HH2 ARG 54 15.097 8.233 7.890 409 H ALA 55 H ALA 55 9.339 5.081 8.999 410 HA ALA 55 HA ALA 55 6.622 5.723 8.951 411 HB1 ALA 55 3HB ALA 55 8.552 5.763 11.314 412 HB2 ALA 55 1HB ALA 55 6.785 5.612 11.411 413 HB3 ALA 55 2HB ALA 55 7.739 4.327 10.650 414 H THR 56 H THR 56 9.309 7.983 9.524 415 HA THR 56 HA THR 56 7.702 10.211 10.408 416 HB THR 56 HB THR 56 10.406 10.306 9.022 417 HG1 THR 56 HG1 THR 56 11.255 10.102 11.105 418 HG21 THR 56 3HG2 THR 56 10.770 12.272 10.509 419 HG22 THR 56 1HG2 THR 56 9.099 12.123 11.102 420 HG23 THR 56 2HG2 THR 56 9.420 12.534 9.402 421 H ASP 57 H ASP 57 8.684 9.066 7.177 422 HA ASP 57 HA ASP 57 7.717 11.551 5.864 423 HB2 ASP 57 2HB ASP 57 9.141 9.101 4.767 424 HB3 ASP 57 3HB ASP 57 8.730 10.542 3.847 425 H LEU 58 H LEU 58 6.837 8.166 6.214 426 HA LEU 58 HA LEU 58 4.380 8.512 4.542 427 HB2 LEU 58 2HB LEU 58 6.135 6.040 4.864 428 HB3 LEU 58 3HB LEU 58 4.624 6.115 3.965 429 HG LEU 58 HG LEU 58 7.177 7.581 3.203 430 HD11 LEU 58 1HD1 LEU 58 7.262 5.896 1.384 431 HD12 LEU 58 2HD1 LEU 58 5.843 5.083 2.081 432 HD13 LEU 58 3HD1 LEU 58 7.371 5.146 2.984 433 HD21 LEU 58 3HD2 LEU 58 5.975 7.878 1.016 434 HD22 LEU 58 1HD2 LEU 58 5.272 8.783 2.352 435 HD23 LEU 58 2HD2 LEU 58 4.488 7.283 1.792 436 H THR 59 H THR 59 2.533 7.561 5.322 437 HA THR 59 HA THR 59 2.769 5.693 7.671 438 HB THR 59 HB THR 59 0.304 7.168 6.679 439 HG1 THR 59 HG1 THR 59 0.421 7.980 8.820 440 HG21 THR 59 3HG2 THR 59 0.624 5.115 8.922 441 HG22 THR 59 1HG2 THR 59 -0.345 4.912 7.442 442 HG23 THR 59 2HG2 THR 59 -0.818 6.117 8.641 443 H VAL 60 H VAL 60 2.242 3.527 7.230 444 HA VAL 60 HA VAL 60 1.544 2.940 4.385 445 HB VAL 60 HB VAL 60 3.626 1.463 5.957 446 HG11 VAL 60 1HG1 VAL 60 2.534 0.009 4.327 447 HG12 VAL 60 2HG1 VAL 60 2.674 1.250 3.066 448 HG13 VAL 60 3HG1 VAL 60 4.122 0.448 3.702 449 HG21 VAL 60 3HG2 VAL 60 4.589 3.598 5.411 450 HG22 VAL 60 1HG2 VAL 60 5.198 2.452 4.207 451 HG23 VAL 60 2HG2 VAL 60 3.901 3.577 3.783 452 H ALA 61 H ALA 61 -0.058 1.625 4.079 453 HA ALA 61 HA ALA 61 -1.098 -0.052 6.304 454 HB1 ALA 61 3HB ALA 61 -3.331 0.671 5.663 455 HB2 ALA 61 1HB ALA 61 -2.323 2.095 5.977 456 HB3 ALA 61 2HB ALA 61 -2.675 1.612 4.306 457 H LYS 62 H LYS 62 -2.642 -1.711 5.632 458 HA LYS 62 HA LYS 62 -1.955 -3.081 3.049 459 HB2 LYS 62 2HB LYS 62 -2.182 -4.147 5.887 460 HB3 LYS 62 3HB LYS 62 -2.164 -5.191 4.467 461 HG2 LYS 62 2HG LYS 62 0.068 -4.534 3.863 462 HG3 LYS 62 3HG LYS 62 0.098 -3.246 5.087 463 HD2 LYS 62 2HD LYS 62 -0.045 -4.851 6.896 464 HD3 LYS 62 3HD LYS 62 -0.230 -6.204 5.759 465 HE2 LYS 62 2HE LYS 62 2.012 -5.977 4.953 466 HE3 LYS 62 3HE LYS 62 2.209 -4.394 5.716 467 HZ1 LYS 62 3HZ LYS 62 3.290 -6.196 7.010 468 HZ2 LYS 62 1HZ LYS 62 1.837 -6.912 7.247 469 HZ3 LYS 62 2HZ LYS 62 2.147 -5.418 7.868 470 H LEU 63 H LEU 63 -3.504 -4.017 1.937 471 HA LEU 63 HA LEU 63 -6.159 -4.661 3.130 472 HB2 LEU 63 2HB LEU 63 -6.397 -2.595 1.890 473 HB3 LEU 63 3HB LEU 63 -5.562 -3.248 0.498 474 HG LEU 63 HG LEU 63 -7.999 -2.951 0.259 475 HD11 LEU 63 1HD1 LEU 63 -7.424 -5.887 -0.068 476 HD12 LEU 63 2HD1 LEU 63 -6.664 -4.665 -1.087 477 HD13 LEU 63 3HD1 LEU 63 -8.434 -4.833 -1.059 478 HD21 LEU 63 3HD2 LEU 63 -8.802 -3.668 2.457 479 HD22 LEU 63 1HD2 LEU 63 -8.262 -5.335 2.147 480 HD23 LEU 63 2HD2 LEU 63 -9.561 -4.628 1.183 481 H ASP 64 H ASP 64 -6.236 -6.869 3.099 482 HA ASP 64 HA ASP 64 -4.884 -8.405 0.969 483 HB2 ASP 64 2HB ASP 64 -4.891 -9.261 3.318 484 HB3 ASP 64 3HB ASP 64 -6.620 -9.424 3.218 485 H VAL 65 H VAL 65 -5.888 -8.766 -0.923 486 HA VAL 65 HA VAL 65 -8.411 -7.583 -1.446 487 HB VAL 65 HB VAL 65 -8.220 -8.398 -3.710 488 HG11 VAL 65 1HG1 VAL 65 -6.170 -7.299 -4.334 489 HG12 VAL 65 2HG1 VAL 65 -6.891 -6.431 -2.970 490 HG13 VAL 65 3HG1 VAL 65 -5.497 -7.491 -2.704 491 HG21 VAL 65 3HG2 VAL 65 -5.809 -10.000 -2.802 492 HG22 VAL 65 1HG2 VAL 65 -7.362 -10.684 -3.324 493 HG23 VAL 65 2HG2 VAL 65 -6.361 -9.788 -4.474 494 H ASP 66 H ASP 66 -7.884 -10.760 -0.219 495 HA ASP 66 HA ASP 66 -10.527 -11.749 -1.125 496 HB2 ASP 66 2HB ASP 66 -8.549 -13.246 -0.907 497 HB3 ASP 66 3HB ASP 66 -8.536 -12.941 0.832 498 H THR 67 H THR 67 -9.257 -9.864 1.511 499 HA THR 67 HA THR 67 -11.316 -10.780 3.425 500 HB THR 67 HB THR 67 -10.179 -9.476 5.092 501 HG1 THR 67 HG1 THR 67 -8.660 -8.472 2.942 502 HG21 THR 67 3HG2 THR 67 -9.282 -11.675 4.688 503 HG22 THR 67 1HG2 THR 67 -7.977 -10.545 5.089 504 HG23 THR 67 2HG2 THR 67 -8.223 -11.062 3.406 505 H ASN 68 H ASN 68 -10.743 -7.884 1.482 506 HA ASN 68 HA ASN 68 -13.582 -7.289 1.841 507 HB2 ASN 68 2HB ASN 68 -12.252 -6.010 3.664 508 HB3 ASN 68 3HB ASN 68 -11.672 -4.983 2.365 509 HD21 ASN 68 1HD2 ASN 68 -14.670 -6.317 3.842 510 HD22 ASN 68 2HD2 ASN 68 -15.652 -4.913 3.452 511 HA PRO 69 HA PRO 69 -11.671 -7.312 -2.363 512 HB2 PRO 69 2HB PRO 69 -14.482 -8.138 -3.084 513 HB3 PRO 69 3HB PRO 69 -12.927 -8.790 -3.685 514 HG2 PRO 69 2HG PRO 69 -14.367 -10.130 -1.813 515 HG3 PRO 69 3HG PRO 69 -12.587 -10.028 -1.671 516 HD2 PRO 69 2HD PRO 69 -14.690 -8.422 -0.224 517 HD3 PRO 69 3HD PRO 69 -13.177 -9.136 0.396 518 H GLU 70 H GLU 70 -14.674 -5.682 -1.409 519 HA GLU 70 HA GLU 70 -15.013 -4.075 -3.763 520 HB2 GLU 70 2HB GLU 70 -16.407 -2.650 -2.369 521 HB3 GLU 70 3HB GLU 70 -16.848 -4.343 -2.245 522 HG2 GLU 70 2HG GLU 70 -14.991 -3.197 -0.154 523 HG3 GLU 70 3HG GLU 70 -16.678 -2.715 -0.138 524 H THR 71 H THR 71 -12.754 -3.748 -1.073 525 HA THR 71 HA THR 71 -12.065 -0.978 -1.481 526 HB THR 71 HB THR 71 -10.020 -2.989 -0.607 527 HG1 THR 71 HG1 THR 71 -11.720 -3.587 0.616 528 HG21 THR 71 3HG2 THR 71 -9.421 -1.153 0.952 529 HG22 THR 71 1HG2 THR 71 -10.765 -0.177 0.327 530 HG23 THR 71 2HG2 THR 71 -9.394 -0.581 -0.725 531 H ALA 72 H ALA 72 -10.721 -4.010 -2.846 532 HA ALA 72 HA ALA 72 -8.722 -2.739 -4.497 533 HB1 ALA 72 3HB ALA 72 -10.066 -5.460 -4.798 534 HB2 ALA 72 1HB ALA 72 -8.499 -4.949 -5.465 535 HB3 ALA 72 2HB ALA 72 -8.698 -5.119 -3.715 536 H ARG 73 H ARG 73 -12.104 -3.651 -5.086 537 HA ARG 73 HA ARG 73 -12.041 -2.945 -7.876 538 HB2 ARG 73 2HB ARG 73 -13.665 -4.513 -6.782 539 HB3 ARG 73 3HB ARG 73 -14.434 -3.135 -5.984 540 HG2 ARG 73 2HG ARG 73 -15.006 -2.167 -8.203 541 HG3 ARG 73 3HG ARG 73 -14.227 -3.536 -9.010 542 HD2 ARG 73 2HD ARG 73 -16.596 -3.726 -7.098 543 HD3 ARG 73 3HD ARG 73 -16.720 -3.704 -8.865 544 HE ARG 73 HE ARG 73 -14.958 -5.794 -8.292 545 HH11 ARG 73 1HH1 ARG 73 -18.324 -5.139 -7.574 546 HH12 ARG 73 2HH1 ARG 73 -18.727 -6.832 -7.479 547 HH21 ARG 73 1HH2 ARG 73 -15.540 -7.935 -8.149 548 HH22 ARG 73 2HH2 ARG 73 -17.188 -8.366 -7.804 549 H ASN 74 H ASN 74 -13.157 -1.103 -5.008 550 HA ASN 74 HA ASN 74 -14.110 1.126 -6.519 551 HB2 ASN 74 2HB ASN 74 -13.370 0.774 -3.585 552 HB3 ASN 74 3HB ASN 74 -14.067 2.255 -4.228 553 HD21 ASN 74 1HD2 ASN 74 -15.412 0.954 -2.227 554 HD22 ASN 74 2HD2 ASN 74 -16.891 0.286 -2.918 555 H PHE 75 H PHE 75 -10.854 0.460 -5.336 556 HA PHE 75 HA PHE 75 -9.945 3.105 -6.373 557 HB2 PHE 75 2HB PHE 75 -8.592 1.123 -4.530 558 HB3 PHE 75 3HB PHE 75 -7.807 2.553 -5.196 559 HD1 PHE 75 HD2 PHE 75 -8.766 4.859 -4.746 560 HD2 PHE 75 HD1 PHE 75 -10.093 1.349 -2.625 561 HE1 PHE 75 HE2 PHE 75 -9.875 6.297 -3.053 562 HE2 PHE 75 HE1 PHE 75 -11.220 2.784 -0.949 563 HZ PHE 75 HZ PHE 75 -11.133 5.257 -1.169 564 H GLN 76 H GLN 76 -10.662 0.446 -7.838 565 HA GLN 76 HA GLN 76 -10.186 -0.615 -9.698 566 HB2 GLN 76 2HB GLN 76 -10.171 1.730 -10.475 567 HB3 GLN 76 3HB GLN 76 -8.409 1.759 -10.362 568 HG2 GLN 76 2HG GLN 76 -8.204 0.097 -12.122 569 HG3 GLN 76 3HG GLN 76 -9.951 -0.191 -12.123 570 HE21 GLN 76 1HE2 GLN 76 -11.370 1.606 -12.933 571 HE22 GLN 76 2HE2 GLN 76 -10.666 2.776 -14.042 572 H VAL 77 H VAL 77 -7.690 -0.332 -7.519 573 HA VAL 77 HA VAL 77 -5.624 -1.782 -8.965 574 HB VAL 77 HB VAL 77 -4.440 -1.724 -6.768 575 HG11 VAL 77 1HG1 VAL 77 -3.946 0.652 -6.893 576 HG12 VAL 77 2HG1 VAL 77 -4.177 0.017 -8.535 577 HG13 VAL 77 3HG1 VAL 77 -5.466 0.959 -7.758 578 HG21 VAL 77 3HG2 VAL 77 -6.493 -1.538 -5.293 579 HG22 VAL 77 1HG2 VAL 77 -5.247 -0.317 -4.978 580 HG23 VAL 77 2HG2 VAL 77 -6.707 0.122 -5.872 581 H VAL 78 H VAL 78 -7.556 -3.366 -9.401 582 HA VAL 78 HA VAL 78 -7.822 -5.543 -7.471 583 HB VAL 78 HB VAL 78 -9.003 -6.736 -9.258 584 HG11 VAL 78 1HG1 VAL 78 -10.209 -5.171 -7.779 585 HG12 VAL 78 2HG1 VAL 78 -9.943 -3.858 -8.950 586 HG13 VAL 78 3HG1 VAL 78 -10.937 -5.261 -9.389 587 HG21 VAL 78 3HG2 VAL 78 -9.542 -5.661 -11.386 588 HG22 VAL 78 1HG2 VAL 78 -8.505 -4.279 -10.999 589 HG23 VAL 78 2HG2 VAL 78 -7.795 -5.888 -11.254 590 H SER 79 H SER 79 -5.498 -4.830 -9.957 591 HA SER 79 HA SER 79 -4.366 -7.479 -10.245 592 HB2 SER 79 2HB SER 79 -3.076 -4.740 -10.588 593 HB3 SER 79 3HB SER 79 -2.410 -6.290 -11.143 594 HG SER 79 HG SER 79 -3.531 -5.179 -12.819 595 H ILE 80 H ILE 80 -2.444 -8.325 -9.246 596 HA ILE 80 HA ILE 80 -1.625 -7.031 -6.721 597 HB ILE 80 HB ILE 80 -1.764 -9.346 -5.609 598 HG12 ILE 80 2HG1 ILE 80 -3.763 -9.927 -7.823 599 HG13 ILE 80 3HG1 ILE 80 -2.138 -10.615 -7.736 600 HG21 ILE 80 1HG2 ILE 80 -3.256 -7.371 -5.137 601 HG22 ILE 80 2HG2 ILE 80 -4.423 -8.040 -6.293 602 HG23 ILE 80 3HG2 ILE 80 -3.994 -8.941 -4.822 603 HD11 ILE 80 3HD1 ILE 80 -2.699 -11.600 -5.506 604 HD12 ILE 80 1HD1 ILE 80 -4.376 -11.034 -5.730 605 HD13 ILE 80 2HD1 ILE 80 -3.671 -12.201 -6.865 606 HA PRO 81 HA PRO 81 -0.205 -7.186 -5.010 607 HB2 PRO 81 2HB PRO 81 2.286 -6.152 -4.560 608 HB3 PRO 81 3HB PRO 81 1.815 -7.787 -4.029 609 HG2 PRO 81 2HG PRO 81 3.313 -7.003 -6.538 610 HG3 PRO 81 3HG PRO 81 3.722 -8.304 -5.377 611 HD2 PRO 81 2HD PRO 81 2.410 -8.852 -7.686 612 HD3 PRO 81 3HD PRO 81 1.967 -9.684 -6.165 613 H THR 82 H THR 82 -0.675 -4.996 -4.881 614 HA THR 82 HA THR 82 0.587 -3.124 -6.820 615 HB THR 82 HB THR 82 -2.400 -3.215 -6.293 616 HG1 THR 82 HG1 THR 82 -2.209 -4.463 -7.924 617 HG21 THR 82 3HG2 THR 82 -0.623 -1.157 -7.661 618 HG22 THR 82 1HG2 THR 82 -1.880 -0.899 -6.437 619 HG23 THR 82 2HG2 THR 82 -2.329 -1.358 -8.089 620 H LEU 83 H LEU 83 1.425 -1.452 -5.822 621 HA LEU 83 HA LEU 83 0.462 -0.589 -3.124 622 HB2 LEU 83 2HB LEU 83 2.949 0.122 -4.723 623 HB3 LEU 83 3HB LEU 83 2.465 0.897 -3.232 624 HG LEU 83 HG LEU 83 2.742 -1.249 -2.005 625 HD11 LEU 83 1HD1 LEU 83 3.809 -2.265 -4.681 626 HD12 LEU 83 2HD1 LEU 83 2.526 -2.986 -3.673 627 HD13 LEU 83 3HD1 LEU 83 4.193 -3.016 -3.118 628 HD21 LEU 83 3HD2 LEU 83 4.543 0.473 -2.199 629 HD22 LEU 83 1HD2 LEU 83 5.167 -0.357 -3.628 630 HD23 LEU 83 2HD2 LEU 83 5.192 -1.161 -2.040 631 H ILE 84 H ILE 84 -0.714 1.244 -2.990 632 HA ILE 84 HA ILE 84 -0.599 3.211 -5.224 633 HB ILE 84 HB ILE 84 -2.837 2.102 -5.110 634 HG12 ILE 84 2HG1 ILE 84 -2.936 5.065 -4.389 635 HG13 ILE 84 3HG1 ILE 84 -2.434 4.447 -5.964 636 HG21 ILE 84 1HG2 ILE 84 -2.907 1.746 -2.679 637 HG22 ILE 84 2HG2 ILE 84 -3.108 3.487 -2.419 638 HG23 ILE 84 3HG2 ILE 84 -4.358 2.557 -3.276 639 HD11 ILE 84 3HD1 ILE 84 -4.737 5.127 -6.091 640 HD12 ILE 84 1HD1 ILE 84 -4.647 3.359 -6.254 641 HD13 ILE 84 2HD1 ILE 84 -5.186 4.091 -4.728 642 H LEU 85 H LEU 85 -0.252 5.356 -4.606 643 HA LEU 85 HA LEU 85 0.054 5.862 -1.671 644 HB2 LEU 85 2HB LEU 85 2.220 5.562 -2.847 645 HB3 LEU 85 3HB LEU 85 1.880 7.003 -3.804 646 HG LEU 85 HG LEU 85 1.744 7.173 -0.782 647 HD11 LEU 85 1HD1 LEU 85 4.308 7.208 -2.419 648 HD12 LEU 85 2HD1 LEU 85 3.851 6.021 -1.180 649 HD13 LEU 85 3HD1 LEU 85 4.162 7.697 -0.715 650 HD21 LEU 85 3HD2 LEU 85 1.140 9.183 -2.153 651 HD22 LEU 85 1HD2 LEU 85 2.744 9.143 -2.882 652 HD23 LEU 85 2HD2 LEU 85 2.543 9.446 -1.137 653 H PHE 86 H PHE 86 -0.950 7.602 -0.897 654 HA PHE 86 HA PHE 86 -2.161 9.602 -2.760 655 HB2 PHE 86 2HB PHE 86 -3.118 8.798 -0.001 656 HB3 PHE 86 3HB PHE 86 -3.878 9.964 -1.053 657 HD1 PHE 86 HD1 PHE 86 -3.284 6.371 -0.433 658 HD2 PHE 86 HD2 PHE 86 -5.299 9.256 -2.920 659 HE1 PHE 86 HE1 PHE 86 -4.776 4.593 -1.297 660 HE2 PHE 86 HE2 PHE 86 -6.764 7.464 -3.815 661 HZ PHE 86 HZ PHE 86 -6.520 5.131 -2.987 662 H LYS 87 H LYS 87 -1.967 11.771 -2.253 663 HA LYS 87 HA LYS 87 -0.784 12.533 0.358 664 HB2 LYS 87 2HB LYS 87 0.013 13.849 -2.267 665 HB3 LYS 87 3HB LYS 87 0.271 14.544 -0.671 666 HG2 LYS 87 2HG LYS 87 1.551 12.506 -0.005 667 HG3 LYS 87 3HG LYS 87 1.497 11.928 -1.663 668 HD2 LYS 87 2HD LYS 87 2.664 14.622 -0.821 669 HD3 LYS 87 3HD LYS 87 3.619 13.142 -0.918 670 HE2 LYS 87 2HE LYS 87 3.311 12.938 -3.279 671 HE3 LYS 87 3HE LYS 87 2.082 14.219 -3.306 672 HZ1 LYS 87 3HZ LYS 87 3.813 15.805 -2.671 673 HZ2 LYS 87 1HZ LYS 87 4.251 15.040 -4.040 674 HZ3 LYS 87 2HZ LYS 87 4.948 14.631 -2.622 675 H ASP 88 H ASP 88 -1.930 14.095 1.392 676 HA ASP 88 HA ASP 88 -3.890 15.069 2.001 677 HB2 ASP 88 2HB ASP 88 -2.608 16.874 0.906 678 HB3 ASP 88 3HB ASP 88 -3.482 16.575 -0.595 679 H GLY 89 H GLY 89 -4.465 12.620 1.043 680 HA2 GLY 89 2HA GLY 89 -6.199 11.277 0.454 681 HA3 GLY 89 3HA GLY 89 -7.262 12.684 0.517 682 H GLN 90 H GLN 90 -4.691 12.923 -1.794 683 HA GLN 90 HA GLN 90 -6.500 12.151 -4.046 684 HB2 GLN 90 2HB GLN 90 -4.459 14.379 -3.773 685 HB3 GLN 90 3HB GLN 90 -5.190 13.918 -5.311 686 HG2 GLN 90 2HG GLN 90 -7.299 14.730 -4.743 687 HG3 GLN 90 3HG GLN 90 -7.051 14.548 -3.012 688 HE21 GLN 90 1HE2 GLN 90 -5.897 16.160 -1.812 689 HE22 GLN 90 2HE2 GLN 90 -5.603 17.743 -2.519 690 HA PRO 91 HA PRO 91 -3.417 9.136 -4.874 691 HB2 PRO 91 2HB PRO 91 -3.860 8.468 -7.492 692 HB3 PRO 91 3HB PRO 91 -4.986 8.064 -6.158 693 HG2 PRO 91 2HG PRO 91 -5.128 10.428 -8.061 694 HG3 PRO 91 3HG PRO 91 -6.437 9.285 -7.617 695 HD2 PRO 91 2HD PRO 91 -6.186 11.707 -6.403 696 HD3 PRO 91 3HD PRO 91 -6.686 10.258 -5.477 697 H VAL 92 H VAL 92 -1.362 8.985 -5.409 698 HA VAL 92 HA VAL 92 -0.042 11.094 -7.096 699 HB VAL 92 HB VAL 92 0.686 9.954 -4.375 700 HG11 VAL 92 1HG1 VAL 92 2.418 11.735 -6.142 701 HG12 VAL 92 2HG1 VAL 92 2.724 11.332 -4.435 702 HG13 VAL 92 3HG1 VAL 92 2.794 10.067 -5.648 703 HG21 VAL 92 3HG2 VAL 92 0.694 12.352 -3.766 704 HG22 VAL 92 1HG2 VAL 92 0.210 12.785 -5.415 705 HG23 VAL 92 2HG2 VAL 92 -0.885 11.855 -4.372 706 H LYS 93 H LYS 93 0.122 7.682 -5.998 707 HA LYS 93 HA LYS 93 1.770 7.053 -8.390 708 HB2 LYS 93 2HB LYS 93 3.117 7.544 -6.092 709 HB3 LYS 93 3HB LYS 93 2.628 5.897 -5.732 710 HG2 LYS 93 2HG LYS 93 4.786 5.745 -6.656 711 HG3 LYS 93 3HG LYS 93 3.710 5.208 -7.952 712 HD2 LYS 93 2HD LYS 93 3.877 7.463 -9.011 713 HD3 LYS 93 3HD LYS 93 4.901 8.014 -7.669 714 HE2 LYS 93 2HE LYS 93 6.592 6.304 -8.243 715 HE3 LYS 93 3HE LYS 93 5.575 5.730 -9.574 716 HZ1 LYS 93 3HZ LYS 93 7.256 7.285 -10.375 717 HZ2 LYS 93 1HZ LYS 93 6.756 8.460 -9.351 718 HZ3 LYS 93 2HZ LYS 93 5.784 7.963 -10.575 719 H ARG 94 H ARG 94 1.527 5.025 -9.177 720 HA ARG 94 HA ARG 94 0.296 2.890 -7.525 721 HB2 ARG 94 2HB ARG 94 -0.505 3.569 -10.375 722 HB3 ARG 94 3HB ARG 94 -0.679 1.945 -9.703 723 HG2 ARG 94 2HG ARG 94 -2.133 2.795 -7.903 724 HG3 ARG 94 3HG ARG 94 -2.006 4.441 -8.561 725 HD2 ARG 94 2HD ARG 94 -3.048 3.710 -10.672 726 HD3 ARG 94 3HD ARG 94 -3.035 2.037 -10.129 727 HE ARG 94 HE ARG 94 -4.885 2.387 -8.789 728 HH11 ARG 94 1HH1 ARG 94 -3.917 5.529 -9.989 729 HH12 ARG 94 2HH1 ARG 94 -5.447 6.251 -9.573 730 HH21 ARG 94 1HH2 ARG 94 -6.818 3.353 -8.305 731 HH22 ARG 94 2HH2 ARG 94 -7.021 5.052 -8.619 732 H ILE 95 H ILE 95 1.489 1.103 -7.493 733 HA ILE 95 HA ILE 95 3.569 0.568 -9.578 734 HB ILE 95 HB ILE 95 4.067 0.211 -6.598 735 HG12 ILE 95 2HG1 ILE 95 5.405 2.513 -8.028 736 HG13 ILE 95 3HG1 ILE 95 3.852 2.757 -7.238 737 HG21 ILE 95 1HG2 ILE 95 5.437 -1.177 -8.062 738 HG22 ILE 95 2HG2 ILE 95 5.936 0.247 -9.002 739 HG23 ILE 95 3HG2 ILE 95 6.457 0.047 -7.320 740 HD11 ILE 95 3HD1 ILE 95 5.668 3.353 -5.734 741 HD12 ILE 95 1HD1 ILE 95 4.687 2.024 -5.093 742 HD13 ILE 95 2HD1 ILE 95 6.287 1.689 -5.781 743 H VAL 96 H VAL 96 3.579 -1.461 -10.267 744 HA VAL 96 HA VAL 96 1.961 -3.434 -8.746 745 HB VAL 96 HB VAL 96 0.982 -4.134 -10.709 746 HG11 VAL 96 1HG1 VAL 96 -0.427 -2.284 -11.340 747 HG12 VAL 96 2HG1 VAL 96 -0.049 -2.183 -9.618 748 HG13 VAL 96 3HG1 VAL 96 0.776 -1.111 -10.769 749 HG21 VAL 96 3HG2 VAL 96 1.251 -3.053 -12.932 750 HG22 VAL 96 1HG2 VAL 96 2.582 -2.076 -12.280 751 HG23 VAL 96 2HG2 VAL 96 2.737 -3.844 -12.406 752 H GLY 97 H GLY 97 2.482 -5.550 -8.796 753 HA2 GLY 97 2HA GLY 97 3.776 -7.468 -9.134 754 HA3 GLY 97 3HA GLY 97 4.793 -6.612 -10.288 755 H ALA 98 H ALA 98 5.994 -8.298 -8.539 756 HA ALA 98 HA ALA 98 6.814 -6.912 -6.102 757 HB1 ALA 98 3HB ALA 98 8.037 -8.987 -5.632 758 HB2 ALA 98 1HB ALA 98 6.365 -9.330 -6.113 759 HB3 ALA 98 2HB ALA 98 7.691 -9.585 -7.268 760 H LYS 99 H LYS 99 8.611 -5.816 -5.715 761 HA LYS 99 HA LYS 99 10.993 -6.027 -7.480 762 HB2 LYS 99 2HB LYS 99 9.840 -3.370 -6.529 763 HB3 LYS 99 3HB LYS 99 11.355 -3.620 -7.392 764 HG2 LYS 99 2HG LYS 99 9.959 -4.675 -9.279 765 HG3 LYS 99 3HG LYS 99 8.534 -4.018 -8.444 766 HD2 LYS 99 2HD LYS 99 9.595 -1.724 -8.589 767 HD3 LYS 99 3HD LYS 99 10.921 -2.459 -9.522 768 HE2 LYS 99 2HE LYS 99 9.154 -3.328 -11.146 769 HE3 LYS 99 3HE LYS 99 7.976 -2.340 -10.273 770 HZ1 LYS 99 3HZ LYS 99 10.367 -1.361 -11.744 771 HZ2 LYS 99 1HZ LYS 99 9.476 -0.387 -10.792 772 HZ3 LYS 99 2HZ LYS 99 8.807 -1.073 -12.128 773 H GLY 100 H GLY 100 12.998 -5.343 -6.417 774 HA2 GLY 100 2HA GLY 100 13.096 -6.042 -3.565 775 HA3 GLY 100 3HA GLY 100 14.456 -5.713 -4.637 776 H LYS 101 H LYS 101 14.395 -4.675 -2.140 777 HA LYS 101 HA LYS 101 13.296 -2.226 -1.518 778 HB2 LYS 101 2HB LYS 101 14.896 -3.753 -0.182 779 HB3 LYS 101 3HB LYS 101 16.212 -2.943 -0.998 780 HG2 LYS 101 2HG LYS 101 15.981 -1.973 1.139 781 HG3 LYS 101 3HG LYS 101 15.467 -0.756 -0.027 782 HD2 LYS 101 2HD LYS 101 13.102 -1.205 0.473 783 HD3 LYS 101 3HD LYS 101 13.542 -2.557 1.525 784 HE2 LYS 101 2HE LYS 101 14.214 0.388 1.999 785 HE3 LYS 101 3HE LYS 101 12.937 -0.543 2.782 786 HZ1 LYS 101 3HZ LYS 101 14.824 -0.542 4.251 787 HZ2 LYS 101 1HZ LYS 101 15.847 -1.029 3.074 788 HZ3 LYS 101 2HZ LYS 101 14.715 -2.062 3.643 789 H ALA 102 H ALA 102 16.010 -2.613 -3.675 790 HA ALA 102 HA ALA 102 16.662 0.225 -3.693 791 HB1 ALA 102 3HB ALA 102 17.395 -1.968 -5.692 792 HB2 ALA 102 1HB ALA 102 18.135 -0.356 -5.593 793 HB3 ALA 102 2HB ALA 102 18.329 -1.501 -4.253 794 H ALA 103 H ALA 103 14.867 -1.834 -6.035 795 HA ALA 103 HA ALA 103 14.167 0.434 -7.712 796 HB1 ALA 103 3HB ALA 103 12.863 -1.256 -8.948 797 HB2 ALA 103 1HB ALA 103 14.532 -1.775 -8.653 798 HB3 ALA 103 2HB ALA 103 13.217 -2.451 -7.673 799 H LEU 104 H LEU 104 12.381 -1.450 -5.159 800 HA LEU 104 HA LEU 104 9.932 -0.006 -5.591 801 HB2 LEU 104 2HB LEU 104 10.426 -2.286 -4.338 802 HB3 LEU 104 3HB LEU 104 10.750 -1.251 -2.952 803 HG LEU 104 HG LEU 104 8.395 -0.245 -3.349 804 HD11 LEU 104 1HD1 LEU 104 8.057 -1.095 -5.680 805 HD12 LEU 104 2HD1 LEU 104 6.806 -1.680 -4.585 806 HD13 LEU 104 3HD1 LEU 104 8.119 -2.761 -5.063 807 HD21 LEU 104 3HD2 LEU 104 8.783 -1.792 -1.525 808 HD22 LEU 104 1HD2 LEU 104 8.730 -3.185 -2.634 809 HD23 LEU 104 2HD2 LEU 104 7.266 -2.236 -2.318 810 H LEU 105 H LEU 105 12.712 0.552 -3.313 811 HA LEU 105 HA LEU 105 11.481 2.974 -2.350 812 HB2 LEU 105 2HB LEU 105 13.202 1.762 -1.019 813 HB3 LEU 105 3HB LEU 105 14.419 2.307 -2.171 814 HG LEU 105 HG LEU 105 14.047 4.659 -1.579 815 HD11 LEU 105 1HD1 LEU 105 11.892 3.638 0.335 816 HD12 LEU 105 2HD1 LEU 105 11.644 4.737 -1.042 817 HD13 LEU 105 3HD1 LEU 105 12.576 5.278 0.348 818 HD21 LEU 105 3HD2 LEU 105 14.255 2.919 0.906 819 HD22 LEU 105 1HD2 LEU 105 14.836 4.589 0.709 820 HD23 LEU 105 2HD2 LEU 105 15.580 3.287 -0.225 821 H ARG 106 H ARG 106 13.521 2.394 -5.318 822 HA ARG 106 HA ARG 106 13.744 5.256 -5.758 823 HB2 ARG 106 2HB ARG 106 13.864 2.839 -7.566 824 HB3 ARG 106 3HB ARG 106 13.736 4.442 -8.288 825 HG2 ARG 106 2HG ARG 106 15.845 3.792 -6.196 826 HG3 ARG 106 3HG ARG 106 16.112 3.532 -7.925 827 HD2 ARG 106 2HD ARG 106 15.887 5.849 -8.442 828 HD3 ARG 106 3HD ARG 106 15.220 6.248 -6.866 829 HE ARG 106 HE ARG 106 18.053 5.776 -7.531 830 HH11 ARG 106 2HH1 ARG 106 15.759 6.399 -4.864 831 HH12 ARG 106 1HH1 ARG 106 17.129 6.687 -3.787 832 HH21 ARG 106 1HH2 ARG 106 19.605 6.305 -5.964 833 HH22 ARG 106 2HH2 ARG 106 19.031 6.743 -4.352 834 H GLU 107 H GLU 107 11.245 2.979 -6.831 835 HA GLU 107 HA GLU 107 9.505 4.878 -8.023 836 HB2 GLU 107 2HB GLU 107 9.295 2.084 -6.994 837 HB3 GLU 107 3HB GLU 107 7.808 3.005 -6.915 838 HG2 GLU 107 2HG GLU 107 7.757 1.892 -8.972 839 HG3 GLU 107 3HG GLU 107 8.005 3.594 -9.312 840 H LEU 108 H LEU 108 9.855 4.062 -4.577 841 HA LEU 108 HA LEU 108 7.741 6.010 -3.856 842 HB2 LEU 108 2HB LEU 108 9.402 4.058 -2.237 843 HB3 LEU 108 3HB LEU 108 8.165 5.110 -1.549 844 HG LEU 108 HG LEU 108 7.574 3.170 -3.819 845 HD11 LEU 108 1HD1 LEU 108 7.252 2.680 -0.841 846 HD12 LEU 108 2HD1 LEU 108 8.399 1.869 -1.940 847 HD13 LEU 108 3HD1 LEU 108 6.667 1.622 -2.148 848 HD21 LEU 108 3HD2 LEU 108 5.787 4.554 -1.765 849 HD22 LEU 108 1HD2 LEU 108 5.233 3.363 -2.959 850 HD23 LEU 108 2HD2 LEU 108 5.863 4.921 -3.503 851 H SER 109 H SER 109 11.238 5.986 -3.932 852 HA SER 109 HA SER 109 11.559 8.246 -2.188 853 HB2 SER 109 2HB SER 109 13.790 8.441 -2.728 854 HB3 SER 109 3HB SER 109 13.444 6.743 -2.549 855 HG SER 109 HG SER 109 14.001 8.248 -4.900 856 H ASP 110 H ASP 110 10.776 7.832 -5.573 857 HA ASP 110 HA ASP 110 10.870 10.499 -6.532 858 HB2 ASP 110 2HB ASP 110 10.150 8.452 -7.771 859 HB3 ASP 110 3HB ASP 110 8.660 8.430 -6.826 860 H VAL 111 H VAL 111 8.740 9.138 -4.019 861 HA VAL 111 HA VAL 111 7.365 11.740 -3.598 862 HB VAL 111 HB VAL 111 6.847 8.945 -2.505 863 HG11 VAL 111 1HG1 VAL 111 5.311 11.538 -2.085 864 HG12 VAL 111 2HG1 VAL 111 4.741 9.916 -1.633 865 HG13 VAL 111 3HG1 VAL 111 6.156 10.585 -0.838 866 HG21 VAL 111 3HG2 VAL 111 6.222 9.174 -4.885 867 HG22 VAL 111 1HG2 VAL 111 4.790 9.069 -3.874 868 HG23 VAL 111 2HG2 VAL 111 5.302 10.646 -4.511 869 H VAL 112 H VAL 112 9.601 9.452 -2.092 870 HA VAL 112 HA VAL 112 9.957 11.190 0.302 871 HB VAL 112 HB VAL 112 10.695 8.263 -0.055 872 HG11 VAL 112 1HG1 VAL 112 10.826 8.348 2.453 873 HG12 VAL 112 2HG1 VAL 112 12.079 9.314 1.686 874 HG13 VAL 112 3HG1 VAL 112 10.653 10.113 2.377 875 HG21 VAL 112 3HG2 VAL 112 8.795 7.835 1.455 876 HG22 VAL 112 1HG2 VAL 112 8.337 9.554 1.388 877 HG23 VAL 112 2HG2 VAL 112 8.247 8.533 -0.065 878 HA PRO 113 HA PRO 113 13.888 11.925 -2.084 879 HB2 PRO 113 2HB PRO 113 14.227 14.561 -1.429 880 HB3 PRO 113 3HB PRO 113 13.179 14.005 -2.769 881 HG2 PRO 113 2HG PRO 113 12.349 14.694 0.073 882 HG3 PRO 113 3HG PRO 113 11.632 15.287 -1.462 883 HD2 PRO 113 2HD PRO 113 10.541 13.210 -0.128 884 HD3 PRO 113 3HD PRO 113 10.639 13.187 -1.916 885 H ASN 114 H ASN 114 12.868 12.213 1.207 886 HA ASN 114 HA ASN 114 15.287 12.874 2.517 887 HB2 ASN 114 2HB ASN 114 12.824 12.914 3.307 888 HB3 ASN 114 3HB ASN 114 12.997 11.185 3.598 889 HD21 ASN 114 2HD2 ASN 114 12.336 11.953 5.782 890 HD22 ASN 114 1HD2 ASN 114 13.595 12.574 6.862 891 H LEU 115 H LEU 115 14.377 9.815 1.040 892 HA LEU 115 HA LEU 115 16.982 8.745 1.887 893 HB2 LEU 115 2HB LEU 115 15.109 7.862 3.384 894 HB3 LEU 115 3HB LEU 115 14.482 7.027 1.961 895 HG LEU 115 HG LEU 115 16.627 5.718 1.836 896 HD11 LEU 115 1HD1 LEU 115 17.306 7.203 4.409 897 HD12 LEU 115 2HD1 LEU 115 18.218 7.253 2.883 898 HD13 LEU 115 3HD1 LEU 115 18.148 5.756 3.809 899 HD21 LEU 115 3HD2 LEU 115 15.335 5.645 4.591 900 HD22 LEU 115 1HD2 LEU 115 16.199 4.323 3.779 901 HD23 LEU 115 2HD2 LEU 115 14.655 4.894 3.130 902 H ASN 116 H ASN 116 16.459 10.053 -0.437 903 HA ASN 116 HA ASN 116 16.118 8.076 -2.598 904 HB2 ASN 116 2HB ASN 116 15.085 10.280 -2.828 905 HB3 ASN 116 3HB ASN 116 16.653 11.070 -2.675 906 HD21 ASN 116 2HD2 ASN 116 18.315 10.307 -4.343 907 HD22 ASN 116 1HD2 ASN 116 17.700 10.156 -5.998 Start of MODEL 13 1 H1 MET 1 1H MET 1 10.000 11.029 25.241 2 H2 MET 1 2H MET 1 8.505 11.448 25.767 3 HA MET 1 HA MET 1 9.151 9.286 26.634 4 HB2 MET 1 2HB MET 1 6.834 9.272 24.645 5 HB3 MET 1 3HB MET 1 7.193 7.945 25.746 6 HG2 MET 1 2HG MET 1 5.485 9.202 26.756 7 HG3 MET 1 3HG MET 1 6.950 9.476 27.688 8 HE1 MET 1 3HE MET 1 4.261 11.150 28.000 9 HE2 MET 1 1HE MET 1 5.729 11.450 28.959 10 HE3 MET 1 2HE MET 1 4.910 12.799 28.141 11 H THR 2 H THR 2 9.607 7.032 26.210 12 HA THR 2 HA THR 2 11.369 6.587 23.917 13 HB THR 2 HB THR 2 11.592 4.295 24.954 14 HG1 THR 2 HG1 THR 2 10.760 4.058 27.032 15 HG21 THR 2 3HG2 THR 2 12.918 5.056 26.864 16 HG22 THR 2 1HG2 THR 2 12.124 6.647 26.827 17 HG23 THR 2 2HG2 THR 2 13.170 6.135 25.483 18 H ASP 3 H ASP 3 11.208 4.695 22.533 19 HA ASP 3 HA ASP 3 8.507 3.609 22.006 20 HB2 ASP 3 2HB ASP 3 8.632 5.655 20.642 21 HB3 ASP 3 3HB ASP 3 10.168 5.123 19.950 22 H SER 4 H SER 4 8.500 1.656 20.861 23 HA SER 4 HA SER 4 10.840 0.007 21.234 24 HB2 SER 4 2HB SER 4 8.204 -0.707 19.912 25 HB3 SER 4 3HB SER 4 9.404 -1.825 20.585 26 HG SER 4 HG SER 4 7.686 -1.456 22.051 27 H GLU 5 H GLU 5 10.210 2.021 18.642 28 HA GLU 5 HA GLU 5 10.863 2.194 16.520 29 HB2 GLU 5 2HB GLU 5 13.062 0.229 17.217 30 HB3 GLU 5 3HB GLU 5 13.017 1.313 15.829 31 HG2 GLU 5 2HG GLU 5 12.944 3.234 17.360 32 HG3 GLU 5 3HG GLU 5 13.136 2.129 18.719 33 H LYS 6 H LYS 6 8.759 0.395 17.008 34 HA LYS 6 HA LYS 6 8.959 -1.892 15.236 35 HB2 LYS 6 2HB LYS 6 6.728 -2.372 15.755 36 HB3 LYS 6 3HB LYS 6 7.474 -1.840 17.245 37 HG2 LYS 6 2HG LYS 6 5.738 -0.017 15.503 38 HG3 LYS 6 3HG LYS 6 5.090 -1.087 16.734 39 HD2 LYS 6 2HD LYS 6 6.378 0.061 18.487 40 HD3 LYS 6 3HD LYS 6 7.034 1.197 17.280 41 HE2 LYS 6 2HE LYS 6 4.843 2.044 16.752 42 HE3 LYS 6 3HE LYS 6 4.050 0.781 17.702 43 HZ1 LYS 6 3HZ LYS 6 4.940 1.754 19.708 44 HZ2 LYS 6 1HZ LYS 6 4.183 2.937 18.877 45 HZ3 LYS 6 2HZ LYS 6 5.819 2.862 18.894 46 H SER 7 H SER 7 7.508 -2.321 13.436 47 HA SER 7 HA SER 7 7.768 -0.499 11.286 48 HB2 SER 7 2HB SER 7 5.721 -2.731 11.485 49 HB3 SER 7 3HB SER 7 6.472 -2.064 10.024 50 HG SER 7 HG SER 7 8.488 -2.851 10.816 51 H ALA 8 H ALA 8 6.496 1.176 10.501 52 HA ALA 8 HA ALA 8 4.119 1.922 11.982 53 HB1 ALA 8 3HB ALA 8 5.767 3.583 11.233 54 HB2 ALA 8 1HB ALA 8 5.337 3.239 9.537 55 HB3 ALA 8 2HB ALA 8 4.134 3.929 10.638 56 H THR 9 H THR 9 3.306 -0.382 11.267 57 HA THR 9 HA THR 9 1.927 -0.332 8.648 58 HB THR 9 HB THR 9 1.561 -2.781 9.087 59 HG1 THR 9 HG1 THR 9 2.020 -2.794 11.316 60 HG21 THR 9 3HG2 THR 9 3.324 -1.920 7.569 61 HG22 THR 9 1HG2 THR 9 3.814 -3.405 8.406 62 HG23 THR 9 2HG2 THR 9 4.446 -1.838 8.948 63 H ILE 10 H ILE 10 -0.196 -0.419 8.371 64 HA ILE 10 HA ILE 10 -2.064 -1.001 10.618 65 HB ILE 10 HB ILE 10 -3.500 0.867 9.989 66 HG12 ILE 10 2HG1 ILE 10 -1.264 1.849 8.164 67 HG13 ILE 10 3HG1 ILE 10 -2.755 1.081 7.609 68 HG21 ILE 10 1HG2 ILE 10 -0.726 1.926 10.635 69 HG22 ILE 10 2HG2 ILE 10 -2.292 2.629 11.082 70 HG23 ILE 10 3HG2 ILE 10 -1.784 1.099 11.799 71 HD11 ILE 10 3HD1 ILE 10 -2.977 3.467 7.380 72 HD12 ILE 10 1HD1 ILE 10 -4.085 2.899 8.645 73 HD13 ILE 10 2HD1 ILE 10 -2.574 3.730 9.083 74 H LYS 11 H LYS 11 -4.399 -1.196 9.713 75 HA LYS 11 HA LYS 11 -4.444 -2.195 6.899 76 HB2 LYS 11 2HB LYS 11 -6.037 -3.516 9.119 77 HB3 LYS 11 3HB LYS 11 -5.946 -3.971 7.414 78 HG2 LYS 11 2HG LYS 11 -3.373 -4.275 7.867 79 HG3 LYS 11 3HG LYS 11 -3.823 -4.227 9.570 80 HD2 LYS 11 2HD LYS 11 -3.718 -6.508 9.027 81 HD3 LYS 11 3HD LYS 11 -5.453 -6.152 9.063 82 HE2 LYS 11 2HE LYS 11 -5.469 -5.971 6.582 83 HE3 LYS 11 3HE LYS 11 -3.717 -6.187 6.546 84 HZ1 LYS 11 3HZ LYS 11 -4.064 -8.417 7.524 85 HZ2 LYS 11 1HZ LYS 11 -4.746 -8.270 6.053 86 HZ3 LYS 11 2HZ LYS 11 -5.685 -8.232 7.404 87 H VAL 12 H VAL 12 -6.222 -1.705 5.699 88 HA VAL 12 HA VAL 12 -8.353 0.025 6.852 89 HB VAL 12 HB VAL 12 -8.109 1.688 5.074 90 HG11 VAL 12 1HG1 VAL 12 -5.487 1.410 6.595 91 HG12 VAL 12 2HG1 VAL 12 -6.198 2.889 5.929 92 HG13 VAL 12 3HG1 VAL 12 -6.999 2.058 7.271 93 HG21 VAL 12 3HG2 VAL 12 -6.988 0.425 3.305 94 HG22 VAL 12 1HG2 VAL 12 -6.005 1.824 3.735 95 HG23 VAL 12 2HG2 VAL 12 -5.544 0.216 4.314 96 H THR 13 H THR 13 -10.286 0.095 5.628 97 HA THR 13 HA THR 13 -10.496 -1.594 3.193 98 HB THR 13 HB THR 13 -12.588 -2.605 4.031 99 HG1 THR 13 HG1 THR 13 -12.975 -2.532 6.278 100 HG21 THR 13 3HG2 THR 13 -11.647 -4.289 5.501 101 HG22 THR 13 1HG2 THR 13 -10.250 -3.253 5.870 102 HG23 THR 13 2HG2 THR 13 -10.484 -3.895 4.227 103 H ASP 14 H ASP 14 -12.422 -1.236 1.985 104 HA ASP 14 HA ASP 14 -12.979 1.308 1.248 105 HB2 ASP 14 2HB ASP 14 -13.496 -0.779 0.035 106 HB3 ASP 14 3HB ASP 14 -14.854 -1.090 1.105 107 H ALA 15 H ALA 15 -14.673 -0.342 3.895 108 HA ALA 15 HA ALA 15 -16.905 1.438 4.124 109 HB1 ALA 15 3HB ALA 15 -16.833 -0.851 5.047 110 HB2 ALA 15 1HB ALA 15 -15.559 -0.358 6.189 111 HB3 ALA 15 2HB ALA 15 -17.188 0.338 6.314 112 H SER 16 H SER 16 -13.581 1.855 5.096 113 HA SER 16 HA SER 16 -14.231 4.441 6.448 114 HB2 SER 16 2HB SER 16 -12.239 2.384 7.477 115 HB3 SER 16 3HB SER 16 -12.582 3.965 8.196 116 HG SER 16 HG SER 16 -14.734 3.243 8.583 117 H PHE 17 H PHE 17 -12.825 3.303 3.797 118 HA PHE 17 HA PHE 17 -10.097 3.890 3.955 119 HB2 PHE 17 2HB PHE 17 -11.380 2.573 2.208 120 HB3 PHE 17 3HB PHE 17 -11.825 4.091 1.458 121 HD1 PHE 17 HD2 PHE 17 -9.956 5.573 0.492 122 HD2 PHE 17 HD1 PHE 17 -9.273 1.548 1.891 123 HE1 PHE 17 HE2 PHE 17 -7.849 5.472 -0.816 124 HE2 PHE 17 HE1 PHE 17 -7.186 1.443 0.557 125 HZ PHE 17 HZ PHE 17 -6.472 3.403 -0.795 126 H ALA 18 H ALA 18 -12.722 6.069 2.799 127 HA ALA 18 HA ALA 18 -10.976 8.261 2.229 128 HB1 ALA 18 3HB ALA 18 -13.952 8.232 2.889 129 HB2 ALA 18 1HB ALA 18 -13.061 9.573 2.135 130 HB3 ALA 18 2HB ALA 18 -13.232 8.033 1.272 131 H THR 19 H THR 19 -12.592 7.223 5.200 132 HA THR 19 HA THR 19 -11.948 9.598 6.728 133 HB THR 19 HB THR 19 -12.649 7.006 8.083 134 HG1 THR 19 HG1 THR 19 -14.833 7.274 7.490 135 HG21 THR 19 3HG2 THR 19 -14.228 8.456 9.319 136 HG22 THR 19 1HG2 THR 19 -13.808 9.829 8.268 137 HG23 THR 19 2HG2 THR 19 -12.598 9.136 9.369 138 H ASP 20 H ASP 20 -10.012 6.934 5.854 139 HA ASP 20 HA ASP 20 -8.154 7.450 8.156 140 HB2 ASP 20 2HB ASP 20 -9.375 5.221 8.074 141 HB3 ASP 20 3HB ASP 20 -8.381 4.834 6.669 142 H VAL 21 H VAL 21 -8.174 6.393 4.716 143 HA VAL 21 HA VAL 21 -5.315 6.974 4.408 144 HB VAL 21 HB VAL 21 -7.352 6.207 2.282 145 HG11 VAL 21 1HG1 VAL 21 -5.424 5.443 1.016 146 HG12 VAL 21 2HG1 VAL 21 -5.208 7.149 1.411 147 HG13 VAL 21 3HG1 VAL 21 -4.325 5.904 2.328 148 HG21 VAL 21 3HG2 VAL 21 -5.521 4.428 3.949 149 HG22 VAL 21 1HG2 VAL 21 -7.302 4.436 3.989 150 HG23 VAL 21 2HG2 VAL 21 -6.464 3.908 2.535 151 H LEU 22 H LEU 22 -8.369 8.265 3.002 152 HA LEU 22 HA LEU 22 -6.891 10.436 1.724 153 HB2 LEU 22 2HB LEU 22 -9.890 10.130 1.823 154 HB3 LEU 22 3HB LEU 22 -8.937 11.072 0.692 155 HG LEU 22 HG LEU 22 -8.972 8.030 0.875 156 HD11 LEU 22 1HD1 LEU 22 -10.037 9.908 -1.267 157 HD12 LEU 22 2HD1 LEU 22 -11.026 9.023 -0.087 158 HD13 LEU 22 3HD1 LEU 22 -10.090 8.131 -1.297 159 HD21 LEU 22 3HD2 LEU 22 -7.525 9.805 -1.121 160 HD22 LEU 22 1HD2 LEU 22 -7.664 8.040 -1.198 161 HD23 LEU 22 2HD2 LEU 22 -6.754 8.785 0.114 162 H SER 23 H SER 23 -8.282 10.106 4.824 163 HA SER 23 HA SER 23 -8.753 12.921 5.354 164 HB2 SER 23 2HB SER 23 -9.015 12.222 7.653 165 HB3 SER 23 3HB SER 23 -9.914 11.146 6.567 166 HG SER 23 HG SER 23 -8.757 9.921 8.060 167 H SER 24 H SER 24 -5.889 10.865 5.324 168 HA SER 24 HA SER 24 -4.372 12.215 7.330 169 HB2 SER 24 2HB SER 24 -3.721 10.209 5.145 170 HB3 SER 24 3HB SER 24 -2.510 10.879 6.229 171 HG SER 24 HG SER 24 -4.753 9.280 6.906 172 H ASN 25 H ASN 25 -3.292 14.065 7.224 173 HA ASN 25 HA ASN 25 -2.611 15.385 4.700 174 HB2 ASN 25 2HB ASN 25 -1.748 16.038 7.543 175 HB3 ASN 25 3HB ASN 25 -1.584 17.078 6.127 176 HD21 ASN 25 1HD2 ASN 25 -3.840 17.427 4.900 177 HD22 ASN 25 2HD2 ASN 25 -5.149 17.815 6.017 178 H LYS 26 H LYS 26 -1.077 13.131 6.844 179 HA LYS 26 HA LYS 26 1.662 13.413 5.871 180 HB2 LYS 26 2HB LYS 26 1.056 12.586 8.151 181 HB3 LYS 26 3HB LYS 26 0.270 11.186 7.416 182 HG2 LYS 26 2HG LYS 26 2.517 10.530 6.439 183 HG3 LYS 26 3HG LYS 26 3.245 11.865 7.357 184 HD2 LYS 26 2HD LYS 26 2.432 10.808 9.467 185 HD3 LYS 26 3HD LYS 26 1.658 9.528 8.508 186 HE2 LYS 26 2HE LYS 26 3.979 9.050 7.521 187 HE3 LYS 26 3HE LYS 26 4.636 10.108 8.778 188 HZ1 LYS 26 3HZ LYS 26 3.568 8.612 10.426 189 HZ2 LYS 26 1HZ LYS 26 4.655 7.805 9.513 190 HZ3 LYS 26 2HZ LYS 26 3.046 7.631 9.216 191 HA PRO 27 HA PRO 27 1.092 10.854 2.207 192 HB2 PRO 27 2HB PRO 27 3.858 9.841 2.739 193 HB3 PRO 27 3HB PRO 27 3.175 10.501 1.224 194 HG2 PRO 27 2HG PRO 27 4.851 11.988 2.770 195 HG3 PRO 27 3HG PRO 27 3.414 12.734 2.009 196 HD2 PRO 27 2HD PRO 27 3.738 11.791 4.855 197 HD3 PRO 27 3HD PRO 27 3.002 13.299 4.230 198 H VAL 28 H VAL 28 0.297 8.804 1.858 199 HA VAL 28 HA VAL 28 0.848 6.659 3.834 200 HB VAL 28 HB VAL 28 -1.087 7.743 4.695 201 HG11 VAL 28 1HG1 VAL 28 -1.961 8.893 2.710 202 HG12 VAL 28 2HG1 VAL 28 -2.444 7.334 2.005 203 HG13 VAL 28 3HG1 VAL 28 -3.204 7.921 3.496 204 HG21 VAL 28 3HG2 VAL 28 -1.008 5.271 4.808 205 HG22 VAL 28 1HG2 VAL 28 -2.661 5.899 4.767 206 HG23 VAL 28 2HG2 VAL 28 -1.959 5.175 3.308 207 H LEU 29 H LEU 29 1.092 4.745 3.033 208 HA LEU 29 HA LEU 29 0.788 4.327 0.088 209 HB2 LEU 29 2HB LEU 29 3.084 4.548 1.201 210 HB3 LEU 29 3HB LEU 29 2.730 3.055 2.053 211 HG LEU 29 HG LEU 29 3.109 3.475 -0.935 212 HD11 LEU 29 1HD1 LEU 29 5.135 3.401 0.445 213 HD12 LEU 29 2HD1 LEU 29 5.014 1.951 -0.569 214 HD13 LEU 29 3HD1 LEU 29 4.621 1.855 1.157 215 HD21 LEU 29 3HD2 LEU 29 2.289 0.911 0.503 216 HD22 LEU 29 1HD2 LEU 29 2.987 0.961 -1.129 217 HD23 LEU 29 2HD2 LEU 29 1.437 1.726 -0.837 218 H VAL 30 H VAL 30 -0.826 2.875 -0.393 219 HA VAL 30 HA VAL 30 -1.527 0.807 1.657 220 HB VAL 30 HB VAL 30 -3.477 1.677 -0.460 221 HG11 VAL 30 1HG1 VAL 30 -5.084 0.695 1.121 222 HG12 VAL 30 2HG1 VAL 30 -3.867 -0.481 0.627 223 HG13 VAL 30 3HG1 VAL 30 -3.764 0.284 2.228 224 HG21 VAL 30 3HG2 VAL 30 -4.630 3.042 1.228 225 HG22 VAL 30 1HG2 VAL 30 -3.253 2.864 2.330 226 HG23 VAL 30 2HG2 VAL 30 -3.065 3.729 0.792 227 H ASP 31 H ASP 31 -1.081 -1.191 1.185 228 HA ASP 31 HA ASP 31 -0.566 -2.017 -1.637 229 HB2 ASP 31 2HB ASP 31 1.386 -2.207 -0.384 230 HB3 ASP 31 3HB ASP 31 0.580 -2.910 1.008 231 H PHE 32 H PHE 32 -2.056 -3.076 -2.570 232 HA PHE 32 HA PHE 32 -4.128 -4.631 -1.127 233 HB2 PHE 32 2HB PHE 32 -3.997 -3.944 -4.077 234 HB3 PHE 32 3HB PHE 32 -5.386 -4.502 -3.160 235 HD1 PHE 32 HD2 PHE 32 -6.517 -2.911 -1.533 236 HD2 PHE 32 HD1 PHE 32 -3.359 -1.619 -4.141 237 HE1 PHE 32 HE2 PHE 32 -7.026 -0.550 -0.974 238 HE2 PHE 32 HE1 PHE 32 -3.894 0.724 -3.633 239 HZ PHE 32 HZ PHE 32 -5.719 1.284 -2.026 240 H TRP 33 H TRP 33 -3.606 -6.677 -0.749 241 HA TRP 33 HA TRP 33 -1.854 -8.221 -2.607 242 HB2 TRP 33 2HB TRP 33 -0.167 -8.429 -1.084 243 HB3 TRP 33 3HB TRP 33 -0.695 -6.817 -0.678 244 HD1 TRP 33 HD1 TRP 33 -2.873 -7.112 1.358 245 HE1 TRP 33 HE1 TRP 33 -2.849 -8.549 3.488 246 HE3 TRP 33 HE3 TRP 33 1.245 -9.972 0.341 247 HZ2 TRP 33 HZ2 TRP 33 -1.223 -10.634 4.610 248 HZ3 TRP 33 HZ3 TRP 33 1.959 -11.735 1.916 249 HH2 TRP 33 HH2 TRP 33 0.744 -12.075 4.058 250 H ALA 34 H ALA 34 -1.552 -10.557 -1.759 251 HA ALA 34 HA ALA 34 -3.331 -11.335 0.397 252 HB1 ALA 34 3HB ALA 34 -4.846 -11.781 -1.492 253 HB2 ALA 34 1HB ALA 34 -3.584 -12.734 -2.311 254 HB3 ALA 34 2HB ALA 34 -4.296 -13.301 -0.783 255 H THR 35 H THR 35 -2.601 -13.024 1.591 256 HA THR 35 HA THR 35 0.172 -13.604 1.463 257 HB THR 35 HB THR 35 -1.304 -13.527 3.490 258 HG1 THR 35 HG1 THR 35 -0.066 -15.036 4.557 259 HG21 THR 35 3HG2 THR 35 -3.085 -15.113 2.725 260 HG22 THR 35 1HG2 THR 35 -2.374 -15.540 4.288 261 HG23 THR 35 2HG2 THR 35 -1.905 -16.442 2.834 262 H TRP 36 H TRP 36 -2.420 -15.267 -0.153 263 HA TRP 36 HA TRP 36 -0.923 -17.741 -0.572 264 HB2 TRP 36 2HB TRP 36 -2.773 -18.340 -2.041 265 HB3 TRP 36 3HB TRP 36 -3.292 -17.857 -0.446 266 HD1 TRP 36 HD1 TRP 36 -5.214 -16.212 -0.312 267 HE1 TRP 36 HE1 TRP 36 -6.697 -15.030 -1.997 268 HE3 TRP 36 HE3 TRP 36 -2.353 -16.833 -4.549 269 HZ2 TRP 36 HZ2 TRP 36 -6.519 -14.108 -4.722 270 HZ3 TRP 36 HZ3 TRP 36 -3.024 -15.716 -6.659 271 HH2 TRP 36 HH2 TRP 36 -5.113 -14.382 -6.768 272 H CYS 37 H CYS 37 -0.639 -14.646 -1.999 273 HA CYS 37 HA CYS 37 0.112 -15.727 -4.669 274 HB2 CYS 37 2HB CYS 37 -1.562 -13.996 -4.634 275 HB3 CYS 37 3HB CYS 37 -0.534 -12.937 -3.673 276 HG CYS 37 HG CYS 37 -0.726 -12.163 -6.231 277 H GLY 38 H GLY 38 2.159 -15.869 -5.352 278 HA2 GLY 38 2HA GLY 38 4.367 -15.719 -3.610 279 HA3 GLY 38 3HA GLY 38 4.462 -15.841 -5.367 280 HA PRO 39 HA PRO 39 5.776 -11.565 -5.759 281 HB2 PRO 39 2HB PRO 39 3.099 -10.839 -6.951 282 HB3 PRO 39 3HB PRO 39 4.727 -10.349 -7.509 283 HG2 PRO 39 2HG PRO 39 3.469 -12.358 -8.768 284 HG3 PRO 39 3HG PRO 39 5.192 -12.573 -8.304 285 HD2 PRO 39 2HD PRO 39 2.721 -13.606 -6.900 286 HD3 PRO 39 3HD PRO 39 4.258 -14.446 -7.240 287 H CYS 40 H CYS 40 2.486 -11.868 -4.365 288 HA CYS 40 HA CYS 40 2.523 -9.326 -2.951 289 HB2 CYS 40 2HB CYS 40 0.949 -11.899 -2.557 290 HB3 CYS 40 3HB CYS 40 0.696 -10.450 -1.603 291 HG CYS 40 HG CYS 40 0.536 -10.706 -4.896 292 H LYS 41 H LYS 41 3.330 -12.694 -1.975 293 HA LYS 41 HA LYS 41 4.311 -12.088 0.653 294 HB2 LYS 41 2HB LYS 41 3.736 -14.377 -0.464 295 HB3 LYS 41 3HB LYS 41 5.333 -14.284 -1.187 296 HG2 LYS 41 2HG LYS 41 5.808 -15.534 0.686 297 HG3 LYS 41 3HG LYS 41 6.174 -13.930 1.291 298 HD2 LYS 41 2HD LYS 41 4.925 -14.964 3.005 299 HD3 LYS 41 3HD LYS 41 3.751 -13.890 2.222 300 HE2 LYS 41 2HE LYS 41 2.890 -15.814 0.895 301 HE3 LYS 41 3HE LYS 41 4.120 -16.864 1.606 302 HZ1 LYS 41 3HZ LYS 41 1.874 -15.576 3.071 303 HZ2 LYS 41 1HZ LYS 41 3.064 -16.453 3.794 304 HZ3 LYS 41 2HZ LYS 41 2.028 -17.147 2.734 305 H MET 42 H MET 42 5.882 -11.968 -2.520 306 HA MET 42 HA MET 42 8.548 -11.535 -1.613 307 HB2 MET 42 2HB MET 42 7.824 -12.310 -3.881 308 HB3 MET 42 3HB MET 42 7.294 -10.662 -4.241 309 HG2 MET 42 2HG MET 42 9.638 -9.872 -3.818 310 HG3 MET 42 3HG MET 42 10.130 -11.554 -3.615 311 HE1 MET 42 3HE MET 42 9.680 -13.012 -7.241 312 HE2 MET 42 1HE MET 42 10.133 -13.349 -5.557 313 HE3 MET 42 2HE MET 42 8.429 -13.062 -5.985 314 H VAL 43 H VAL 43 6.025 -9.097 -2.558 315 HA VAL 43 HA VAL 43 7.870 -6.911 -1.930 316 HB VAL 43 HB VAL 43 6.124 -6.872 -3.726 317 HG11 VAL 43 1HG1 VAL 43 3.878 -6.049 -3.151 318 HG12 VAL 43 2HG1 VAL 43 4.162 -7.664 -2.483 319 HG13 VAL 43 3HG1 VAL 43 4.218 -6.234 -1.431 320 HG21 VAL 43 3HG2 VAL 43 5.753 -4.497 -3.568 321 HG22 VAL 43 1HG2 VAL 43 6.071 -4.510 -1.824 322 HG23 VAL 43 2HG2 VAL 43 7.378 -4.869 -2.970 323 H ALA 44 H ALA 44 5.471 -8.628 -0.025 324 HA ALA 44 HA ALA 44 4.844 -6.789 1.945 325 HB1 ALA 44 3HB ALA 44 5.350 -9.778 2.242 326 HB2 ALA 44 1HB ALA 44 4.469 -8.758 3.396 327 HB3 ALA 44 2HB ALA 44 3.833 -8.998 1.758 328 HA PRO 45 HA PRO 45 8.698 -7.521 4.658 329 HB2 PRO 45 2HB PRO 45 11.031 -8.495 3.588 330 HB3 PRO 45 3HB PRO 45 9.766 -9.528 4.320 331 HG2 PRO 45 2HG PRO 45 10.160 -8.877 1.378 332 HG3 PRO 45 3HG PRO 45 9.939 -10.490 2.135 333 HD2 PRO 45 2HD PRO 45 7.858 -9.197 1.035 334 HD3 PRO 45 3HD PRO 45 7.651 -10.071 2.579 335 H VAL 46 H VAL 46 9.066 -6.543 1.264 336 HA VAL 46 HA VAL 46 11.136 -4.560 1.761 337 HB VAL 46 HB VAL 46 9.247 -4.586 -0.618 338 HG11 VAL 46 1HG1 VAL 46 12.166 -3.857 -0.374 339 HG12 VAL 46 2HG1 VAL 46 11.071 -3.529 -1.748 340 HG13 VAL 46 3HG1 VAL 46 10.879 -2.658 -0.217 341 HG21 VAL 46 3HG2 VAL 46 11.770 -6.257 -0.186 342 HG22 VAL 46 1HG2 VAL 46 10.129 -6.864 -0.502 343 HG23 VAL 46 2HG2 VAL 46 10.992 -5.990 -1.759 344 H LEU 47 H LEU 47 7.588 -4.487 1.433 345 HA LEU 47 HA LEU 47 7.256 -1.684 2.085 346 HB2 LEU 47 2HB LEU 47 5.489 -4.150 2.108 347 HB3 LEU 47 3HB LEU 47 4.890 -2.621 2.735 348 HG LEU 47 HG LEU 47 6.032 -2.840 -0.078 349 HD11 LEU 47 1HD1 LEU 47 4.181 -4.412 0.135 350 HD12 LEU 47 2HD1 LEU 47 3.684 -3.010 -0.821 351 HD13 LEU 47 3HD1 LEU 47 3.178 -3.156 0.883 352 HD21 LEU 47 3HD2 LEU 47 5.833 -0.535 0.870 353 HD22 LEU 47 1HD2 LEU 47 4.127 -0.850 1.244 354 HD23 LEU 47 2HD2 LEU 47 4.683 -0.806 -0.440 355 H GLU 48 H GLU 48 7.404 -4.645 4.129 356 HA GLU 48 HA GLU 48 6.806 -3.295 6.578 357 HB2 GLU 48 2HB GLU 48 6.826 -5.803 6.101 358 HB3 GLU 48 3HB GLU 48 8.589 -5.739 6.270 359 HG2 GLU 48 2HG GLU 48 8.278 -4.809 8.574 360 HG3 GLU 48 3HG GLU 48 6.525 -4.909 8.346 361 H GLU 49 H GLU 49 9.983 -3.916 4.962 362 HA GLU 49 HA GLU 49 11.600 -2.460 6.808 363 HB2 GLU 49 2HB GLU 49 11.836 -3.042 3.839 364 HB3 GLU 49 3HB GLU 49 12.954 -1.945 4.653 365 HG2 GLU 49 2HG GLU 49 13.529 -3.709 6.284 366 HG3 GLU 49 3HG GLU 49 12.443 -4.829 5.470 367 H ILE 50 H ILE 50 9.851 -1.168 3.848 368 HA ILE 50 HA ILE 50 10.753 1.467 4.529 369 HB ILE 50 HB ILE 50 9.638 0.420 2.270 370 HG12 ILE 50 2HG1 ILE 50 9.580 2.894 1.518 371 HG13 ILE 50 3HG1 ILE 50 10.053 3.296 3.162 372 HG21 ILE 50 1HG2 ILE 50 7.538 2.367 3.299 373 HG22 ILE 50 2HG2 ILE 50 7.597 1.576 1.716 374 HG23 ILE 50 3HG2 ILE 50 7.311 0.602 3.156 375 HD11 ILE 50 3HD1 ILE 50 12.105 1.856 2.868 376 HD12 ILE 50 1HD1 ILE 50 11.574 1.508 1.206 377 HD13 ILE 50 2HD1 ILE 50 12.001 3.165 1.682 378 H ALA 51 H ALA 51 7.833 -0.244 5.567 379 HA ALA 51 HA ALA 51 6.544 1.918 6.899 380 HB1 ALA 51 3HB ALA 51 6.676 -0.999 7.801 381 HB2 ALA 51 1HB ALA 51 5.384 0.179 8.103 382 HB3 ALA 51 2HB ALA 51 5.665 -0.451 6.466 383 H THR 52 H THR 52 9.109 -0.289 7.949 384 HA THR 52 HA THR 52 9.271 0.798 10.654 385 HB THR 52 HB THR 52 11.356 -0.886 9.182 386 HG1 THR 52 HG1 THR 52 9.495 -2.010 9.106 387 HG21 THR 52 3HG2 THR 52 11.861 -1.717 11.469 388 HG22 THR 52 1HG2 THR 52 10.697 -0.557 12.146 389 HG23 THR 52 2HG2 THR 52 12.169 0.020 11.332 390 H GLU 53 H GLU 53 11.355 1.154 7.755 391 HA GLU 53 HA GLU 53 13.195 2.914 9.169 392 HB2 GLU 53 2HB GLU 53 13.127 2.034 6.260 393 HB3 GLU 53 3HB GLU 53 14.452 2.874 7.075 394 HG2 GLU 53 2HG GLU 53 14.485 0.924 8.751 395 HG3 GLU 53 3HG GLU 53 13.458 0.051 7.636 396 H ARG 54 H ARG 54 10.465 3.504 7.072 397 HA ARG 54 HA ARG 54 11.016 6.447 7.197 398 HB2 ARG 54 2HB ARG 54 9.602 4.875 5.002 399 HB3 ARG 54 3HB ARG 54 9.545 6.614 5.128 400 HG2 ARG 54 2HG ARG 54 12.094 5.020 4.688 401 HG3 ARG 54 3HG ARG 54 11.144 5.861 3.465 402 HD2 ARG 54 2HD ARG 54 12.780 7.407 3.893 403 HD3 ARG 54 3HD ARG 54 11.463 7.994 4.916 404 HE ARG 54 HE ARG 54 13.215 6.173 6.337 405 HH11 ARG 54 1HH1 ARG 54 12.682 9.613 5.798 406 HH12 ARG 54 2HH1 ARG 54 13.877 10.018 6.992 407 HH21 ARG 54 1HH2 ARG 54 14.394 6.782 7.963 408 HH22 ARG 54 2HH2 ARG 54 14.814 8.457 8.226 409 H ALA 55 H ALA 55 9.774 4.839 9.246 410 HA ALA 55 HA ALA 55 7.011 5.126 9.445 411 HB1 ALA 55 3HB ALA 55 9.163 5.522 11.582 412 HB2 ALA 55 1HB ALA 55 7.449 5.190 11.900 413 HB3 ALA 55 2HB ALA 55 8.447 3.972 11.084 414 H THR 56 H THR 56 9.410 7.734 9.658 415 HA THR 56 HA THR 56 7.560 9.761 10.657 416 HB THR 56 HB THR 56 9.517 11.278 10.079 417 HG1 THR 56 HG1 THR 56 11.449 10.217 9.596 418 HG21 THR 56 3HG2 THR 56 10.932 10.480 11.909 419 HG22 THR 56 1HG2 THR 56 10.164 8.877 11.851 420 HG23 THR 56 2HG2 THR 56 9.225 10.303 12.346 421 H ASP 57 H ASP 57 8.589 8.682 7.450 422 HA ASP 57 HA ASP 57 7.425 11.115 6.161 423 HB2 ASP 57 2HB ASP 57 9.277 8.932 5.146 424 HB3 ASP 57 3HB ASP 57 8.575 10.173 4.118 425 H LEU 58 H LEU 58 6.882 7.662 6.454 426 HA LEU 58 HA LEU 58 4.463 7.837 4.705 427 HB2 LEU 58 2HB LEU 58 6.395 5.500 5.004 428 HB3 LEU 58 3HB LEU 58 4.916 5.494 4.049 429 HG LEU 58 HG LEU 58 7.353 7.211 3.444 430 HD11 LEU 58 1HD1 LEU 58 7.824 4.819 3.170 431 HD12 LEU 58 2HD1 LEU 58 7.726 5.627 1.599 432 HD13 LEU 58 3HD1 LEU 58 6.368 4.629 2.168 433 HD21 LEU 58 3HD2 LEU 58 5.306 8.196 2.546 434 HD22 LEU 58 1HD2 LEU 58 4.822 6.636 1.842 435 HD23 LEU 58 2HD2 LEU 58 6.258 7.499 1.236 436 H THR 59 H THR 59 2.676 6.766 5.441 437 HA THR 59 HA THR 59 2.991 4.865 7.747 438 HB THR 59 HB THR 59 0.460 6.310 6.887 439 HG1 THR 59 HG1 THR 59 0.632 7.123 9.007 440 HG21 THR 59 3HG2 THR 59 -0.529 5.196 8.893 441 HG22 THR 59 1HG2 THR 59 0.955 4.234 9.077 442 HG23 THR 59 2HG2 THR 59 -0.082 4.030 7.645 443 H VAL 60 H VAL 60 2.648 2.741 7.230 444 HA VAL 60 HA VAL 60 2.002 2.186 4.361 445 HB VAL 60 HB VAL 60 3.790 0.687 6.302 446 HG11 VAL 60 1HG1 VAL 60 2.593 -0.978 4.923 447 HG12 VAL 60 2HG1 VAL 60 2.939 -0.037 3.451 448 HG13 VAL 60 3HG1 VAL 60 4.256 -0.810 4.360 449 HG21 VAL 60 3HG2 VAL 60 4.294 2.130 3.660 450 HG22 VAL 60 1HG2 VAL 60 4.802 2.683 5.269 451 HG23 VAL 60 2HG2 VAL 60 5.491 1.208 4.582 452 H ALA 61 H ALA 61 0.263 1.015 3.864 453 HA ALA 61 HA ALA 61 -1.303 -0.241 6.062 454 HB1 ALA 61 3HB ALA 61 -3.299 0.701 5.004 455 HB2 ALA 61 1HB ALA 61 -2.142 1.985 5.417 456 HB3 ALA 61 2HB ALA 61 -2.284 1.438 3.742 457 H LYS 62 H LYS 62 -2.480 -2.063 5.642 458 HA LYS 62 HA LYS 62 -1.953 -3.512 3.064 459 HB2 LYS 62 2HB LYS 62 -2.290 -4.568 5.891 460 HB3 LYS 62 3HB LYS 62 -2.071 -5.575 4.470 461 HG2 LYS 62 2HG LYS 62 -0.034 -3.524 5.475 462 HG3 LYS 62 3HG LYS 62 -0.024 -5.219 5.915 463 HD2 LYS 62 2HD LYS 62 0.253 -4.216 3.047 464 HD3 LYS 62 3HD LYS 62 1.595 -4.630 4.124 465 HE2 LYS 62 2HE LYS 62 0.590 -6.941 4.393 466 HE3 LYS 62 3HE LYS 62 -0.596 -6.512 3.151 467 HZ1 LYS 62 3HZ LYS 62 1.284 -7.678 2.185 468 HZ2 LYS 62 1HZ LYS 62 2.341 -6.554 2.746 469 HZ3 LYS 62 2HZ LYS 62 1.242 -6.147 1.600 470 H LEU 63 H LEU 63 -3.562 -4.324 1.932 471 HA LEU 63 HA LEU 63 -6.236 -4.818 3.189 472 HB2 LEU 63 2HB LEU 63 -6.354 -2.748 1.911 473 HB3 LEU 63 3HB LEU 63 -5.610 -3.503 0.519 474 HG LEU 63 HG LEU 63 -8.012 -3.050 0.316 475 HD11 LEU 63 1HD1 LEU 63 -8.671 -4.957 -0.868 476 HD12 LEU 63 2HD1 LEU 63 -7.763 -6.053 0.164 477 HD13 LEU 63 3HD1 LEU 63 -6.899 -4.996 -0.959 478 HD21 LEU 63 3HD2 LEU 63 -8.453 -5.285 2.336 479 HD22 LEU 63 1HD2 LEU 63 -9.695 -4.433 1.402 480 HD23 LEU 63 2HD2 LEU 63 -8.750 -3.554 2.601 481 H ASP 64 H ASP 64 -6.588 -6.879 3.196 482 HA ASP 64 HA ASP 64 -5.253 -8.744 1.375 483 HB2 ASP 64 2HB ASP 64 -7.021 -8.967 3.806 484 HB3 ASP 64 3HB ASP 64 -6.814 -10.340 2.727 485 H VAL 65 H VAL 65 -6.006 -8.753 -0.679 486 HA VAL 65 HA VAL 65 -8.690 -8.092 -1.425 487 HB VAL 65 HB VAL 65 -8.155 -8.749 -3.652 488 HG11 VAL 65 1HG1 VAL 65 -6.227 -7.361 -4.098 489 HG12 VAL 65 2HG1 VAL 65 -7.149 -6.649 -2.764 490 HG13 VAL 65 3HG1 VAL 65 -5.649 -7.529 -2.430 491 HG21 VAL 65 3HG2 VAL 65 -6.977 -10.907 -3.275 492 HG22 VAL 65 1HG2 VAL 65 -6.104 -9.821 -4.355 493 HG23 VAL 65 2HG2 VAL 65 -5.565 -10.004 -2.681 494 H ASP 66 H ASP 66 -7.384 -11.048 -0.297 495 HA ASP 66 HA ASP 66 -9.325 -12.872 -1.415 496 HB2 ASP 66 2HB ASP 66 -6.974 -13.378 -0.594 497 HB3 ASP 66 3HB ASP 66 -7.573 -13.192 1.055 498 H THR 67 H THR 67 -9.285 -10.819 1.476 499 HA THR 67 HA THR 67 -11.818 -12.088 2.454 500 HB THR 67 HB THR 67 -11.286 -11.155 4.648 501 HG1 THR 67 HG1 THR 67 -9.249 -10.297 5.004 502 HG21 THR 67 3HG2 THR 67 -8.962 -12.806 3.562 503 HG22 THR 67 1HG2 THR 67 -10.534 -13.463 4.069 504 HG23 THR 67 2HG2 THR 67 -9.483 -12.670 5.255 505 H ASN 68 H ASN 68 -10.434 -9.024 1.362 506 HA ASN 68 HA ASN 68 -13.241 -8.011 1.303 507 HB2 ASN 68 2HB ASN 68 -11.989 -6.957 3.181 508 HB3 ASN 68 3HB ASN 68 -10.838 -6.306 2.018 509 HD21 ASN 68 1HD2 ASN 68 -13.878 -5.801 3.562 510 HD22 ASN 68 2HD2 ASN 68 -14.394 -4.460 2.551 511 HA PRO 69 HA PRO 69 -11.682 -7.736 -2.990 512 HB2 PRO 69 2HB PRO 69 -14.587 -8.287 -3.508 513 HB3 PRO 69 3HB PRO 69 -13.143 -8.990 -4.301 514 HG2 PRO 69 2HG PRO 69 -14.569 -10.437 -2.503 515 HG3 PRO 69 3HG PRO 69 -12.773 -10.477 -2.464 516 HD2 PRO 69 2HD PRO 69 -14.644 -8.782 -0.771 517 HD3 PRO 69 3HD PRO 69 -13.280 -9.818 -0.250 518 H GLU 70 H GLU 70 -14.182 -6.082 -1.166 519 HA GLU 70 HA GLU 70 -15.215 -4.396 -3.220 520 HB2 GLU 70 2HB GLU 70 -15.134 -3.808 -0.233 521 HB3 GLU 70 3HB GLU 70 -16.255 -3.155 -1.421 522 HG2 GLU 70 2HG GLU 70 -16.098 -6.013 -0.382 523 HG3 GLU 70 3HG GLU 70 -17.386 -4.846 -0.118 524 H THR 71 H THR 71 -12.639 -3.823 -0.825 525 HA THR 71 HA THR 71 -12.024 -1.124 -1.645 526 HB THR 71 HB THR 71 -10.001 -2.998 -0.467 527 HG1 THR 71 HG1 THR 71 -11.825 -3.254 0.806 528 HG21 THR 71 3HG2 THR 71 -9.277 -0.959 0.727 529 HG22 THR 71 1HG2 THR 71 -10.623 -0.045 0.014 530 HG23 THR 71 2HG2 THR 71 -9.313 -0.644 -1.019 531 H ALA 72 H ALA 72 -10.897 -4.300 -2.788 532 HA ALA 72 HA ALA 72 -8.859 -3.287 -4.562 533 HB1 ALA 72 3HB ALA 72 -8.960 -5.618 -3.702 534 HB2 ALA 72 1HB ALA 72 -10.397 -5.906 -4.702 535 HB3 ALA 72 2HB ALA 72 -8.843 -5.525 -5.469 536 H ARG 73 H ARG 73 -12.288 -4.171 -5.063 537 HA ARG 73 HA ARG 73 -12.205 -3.644 -7.866 538 HB2 ARG 73 2HB ARG 73 -13.821 -5.124 -6.482 539 HB3 ARG 73 3HB ARG 73 -14.718 -3.636 -6.150 540 HG2 ARG 73 2HG ARG 73 -14.807 -3.341 -8.738 541 HG3 ARG 73 3HG ARG 73 -14.198 -4.996 -8.827 542 HD2 ARG 73 2HD ARG 73 -16.841 -4.003 -7.715 543 HD3 ARG 73 3HD ARG 73 -16.577 -5.077 -9.077 544 HE ARG 73 HE ARG 73 -15.980 -6.873 -7.575 545 HH11 ARG 73 2HH2 ARG 73 -17.356 -4.120 -5.881 546 HH12 ARG 73 1HH2 ARG 73 -17.637 -5.049 -4.422 547 HH21 ARG 73 1HH1 ARG 73 -16.364 -7.973 -5.656 548 HH22 ARG 73 2HH1 ARG 73 -16.986 -7.091 -4.270 549 H ASN 74 H ASN 74 -13.339 -1.572 -5.163 550 HA ASN 74 HA ASN 74 -14.630 0.363 -6.742 551 HB2 ASN 74 2HB ASN 74 -14.790 0.029 -4.245 552 HB3 ASN 74 3HB ASN 74 -13.230 0.832 -4.073 553 HD21 ASN 74 1HD2 ASN 74 -14.759 2.179 -2.625 554 HD22 ASN 74 2HD2 ASN 74 -15.536 3.543 -3.435 555 H PHE 75 H PHE 75 -11.183 0.267 -5.809 556 HA PHE 75 HA PHE 75 -10.628 2.690 -7.447 557 HB2 PHE 75 2HB PHE 75 -8.731 1.138 -5.680 558 HB3 PHE 75 3HB PHE 75 -8.491 2.743 -6.358 559 HD1 PHE 75 HD1 PHE 75 -10.631 4.416 -5.742 560 HD2 PHE 75 HD2 PHE 75 -9.191 1.098 -3.388 561 HE1 PHE 75 HE1 PHE 75 -11.684 5.391 -3.714 562 HE2 PHE 75 HE2 PHE 75 -10.243 2.079 -1.369 563 HZ PHE 75 HZ PHE 75 -11.501 4.216 -1.529 564 H GLN 76 H GLN 76 -11.156 -0.302 -8.330 565 HA GLN 76 HA GLN 76 -10.282 -1.962 -9.530 566 HB2 GLN 76 2HB GLN 76 -9.855 -1.515 -11.809 567 HB3 GLN 76 3HB GLN 76 -11.208 -0.556 -11.214 568 HG2 GLN 76 2HG GLN 76 -9.847 1.447 -11.123 569 HG3 GLN 76 3HG GLN 76 -8.391 0.508 -11.461 570 HE21 GLN 76 1HE2 GLN 76 -8.247 -0.539 -13.683 571 HE22 GLN 76 2HE2 GLN 76 -9.088 0.262 -15.003 572 H VAL 77 H VAL 77 -8.539 -1.413 -7.503 573 HA VAL 77 HA VAL 77 -5.783 -1.790 -8.545 574 HB VAL 77 HB VAL 77 -5.113 -1.698 -6.164 575 HG11 VAL 77 1HG1 VAL 77 -6.702 0.720 -7.074 576 HG12 VAL 77 2HG1 VAL 77 -5.362 0.696 -5.917 577 HG13 VAL 77 3HG1 VAL 77 -5.063 0.299 -7.612 578 HG21 VAL 77 3HG2 VAL 77 -6.775 -0.653 -4.553 579 HG22 VAL 77 1HG2 VAL 77 -8.064 -1.111 -5.657 580 HG23 VAL 77 2HG2 VAL 77 -7.021 -2.354 -4.921 581 H VAL 78 H VAL 78 -7.404 -3.665 -9.420 582 HA VAL 78 HA VAL 78 -7.688 -5.925 -7.602 583 HB VAL 78 HB VAL 78 -8.851 -6.999 -9.501 584 HG11 VAL 78 1HG1 VAL 78 -9.831 -4.187 -8.882 585 HG12 VAL 78 2HG1 VAL 78 -10.809 -5.547 -9.469 586 HG13 VAL 78 3HG1 VAL 78 -10.071 -5.622 -7.861 587 HG21 VAL 78 3HG2 VAL 78 -8.437 -4.368 -10.996 588 HG22 VAL 78 1HG2 VAL 78 -7.659 -5.916 -11.400 589 HG23 VAL 78 2HG2 VAL 78 -9.415 -5.751 -11.510 590 H SER 79 H SER 79 -5.215 -5.014 -9.771 591 HA SER 79 HA SER 79 -4.214 -7.703 -10.363 592 HB2 SER 79 2HB SER 79 -3.723 -5.671 -11.768 593 HB3 SER 79 3HB SER 79 -2.677 -5.086 -10.456 594 HG SER 79 HG SER 79 -1.615 -6.368 -12.147 595 H ILE 80 H ILE 80 -2.169 -8.537 -9.471 596 HA ILE 80 HA ILE 80 -1.933 -7.850 -6.595 597 HB ILE 80 HB ILE 80 -1.830 -10.346 -6.139 598 HG12 ILE 80 2HG1 ILE 80 -3.243 -10.506 -8.841 599 HG13 ILE 80 3HG1 ILE 80 -1.650 -11.166 -8.465 600 HG21 ILE 80 1HG2 ILE 80 -4.214 -10.403 -5.766 601 HG22 ILE 80 2HG2 ILE 80 -3.644 -8.761 -5.489 602 HG23 ILE 80 3HG2 ILE 80 -4.492 -9.154 -7.000 603 HD11 ILE 80 3HD1 ILE 80 -3.221 -12.963 -8.403 604 HD12 ILE 80 1HD1 ILE 80 -2.748 -12.635 -6.724 605 HD13 ILE 80 2HD1 ILE 80 -4.321 -12.073 -7.343 606 HA PRO 81 HA PRO 81 -0.709 -7.228 -5.088 607 HB2 PRO 81 2HB PRO 81 1.417 -5.696 -4.415 608 HB3 PRO 81 3HB PRO 81 1.260 -7.395 -3.881 609 HG2 PRO 81 2HG PRO 81 2.793 -6.326 -6.272 610 HG3 PRO 81 3HG PRO 81 3.399 -7.431 -4.995 611 HD2 PRO 81 2HD PRO 81 2.500 -8.422 -7.341 612 HD3 PRO 81 3HD PRO 81 2.114 -9.233 -5.798 613 H THR 82 H THR 82 -1.255 -4.961 -4.996 614 HA THR 82 HA THR 82 -0.197 -3.159 -7.141 615 HB THR 82 HB THR 82 -3.090 -3.174 -6.163 616 HG1 THR 82 HG1 THR 82 -2.846 -4.632 -7.768 617 HG21 THR 82 3HG2 THR 82 -1.571 -1.230 -7.955 618 HG22 THR 82 1HG2 THR 82 -2.468 -0.863 -6.466 619 HG23 THR 82 2HG2 THR 82 -3.336 -1.354 -7.926 620 H LEU 83 H LEU 83 0.610 -1.324 -6.337 621 HA LEU 83 HA LEU 83 0.098 -0.614 -3.470 622 HB2 LEU 83 2HB LEU 83 2.569 -0.167 -5.165 623 HB3 LEU 83 3HB LEU 83 2.276 0.579 -3.611 624 HG LEU 83 HG LEU 83 2.343 -1.628 -2.502 625 HD11 LEU 83 1HD1 LEU 83 3.099 -2.680 -5.270 626 HD12 LEU 83 2HD1 LEU 83 1.773 -3.242 -4.219 627 HD13 LEU 83 3HD1 LEU 83 3.431 -3.537 -3.745 628 HD21 LEU 83 3HD2 LEU 83 4.782 -1.895 -2.744 629 HD22 LEU 83 1HD2 LEU 83 4.348 -0.180 -2.763 630 HD23 LEU 83 2HD2 LEU 83 4.743 -1.007 -4.281 631 H ILE 84 H ILE 84 -0.833 1.280 -3.148 632 HA ILE 84 HA ILE 84 -0.650 3.401 -5.236 633 HB ILE 84 HB ILE 84 -2.986 2.428 -4.841 634 HG12 ILE 84 2HG1 ILE 84 -4.067 4.787 -4.612 635 HG13 ILE 84 3HG1 ILE 84 -2.415 5.399 -4.659 636 HG21 ILE 84 1HG2 ILE 84 -4.230 3.123 -2.909 637 HG22 ILE 84 2HG2 ILE 84 -2.758 2.304 -2.366 638 HG23 ILE 84 3HG2 ILE 84 -2.862 4.070 -2.282 639 HD11 ILE 84 3HD1 ILE 84 -3.311 5.407 -6.909 640 HD12 ILE 84 1HD1 ILE 84 -2.137 4.074 -6.831 641 HD13 ILE 84 2HD1 ILE 84 -3.871 3.727 -6.757 642 H LEU 85 H LEU 85 -0.051 5.462 -4.506 643 HA LEU 85 HA LEU 85 0.242 5.806 -1.555 644 HB2 LEU 85 2HB LEU 85 2.455 5.478 -2.634 645 HB3 LEU 85 3HB LEU 85 2.201 6.956 -3.565 646 HG LEU 85 HG LEU 85 1.952 7.084 -0.554 647 HD11 LEU 85 1HD1 LEU 85 4.400 7.524 -0.419 648 HD12 LEU 85 2HD1 LEU 85 4.568 6.977 -2.101 649 HD13 LEU 85 3HD1 LEU 85 4.014 5.851 -0.846 650 HD21 LEU 85 3HD2 LEU 85 1.509 9.133 -1.942 651 HD22 LEU 85 1HD2 LEU 85 3.148 9.014 -2.593 652 HD23 LEU 85 2HD2 LEU 85 2.881 9.322 -0.862 653 H PHE 86 H PHE 86 -0.736 7.485 -0.729 654 HA PHE 86 HA PHE 86 -1.709 9.682 -2.502 655 HB2 PHE 86 2HB PHE 86 -2.877 8.747 0.140 656 HB3 PHE 86 3HB PHE 86 -3.460 10.088 -0.820 657 HD1 PHE 86 HD1 PHE 86 -4.738 9.709 -2.910 658 HD2 PHE 86 HD2 PHE 86 -3.365 6.435 -0.470 659 HE1 PHE 86 HE1 PHE 86 -6.317 8.185 -4.072 660 HE2 PHE 86 HE2 PHE 86 -4.995 4.936 -1.578 661 HZ PHE 86 HZ PHE 86 -6.462 5.789 -3.389 662 H LYS 87 H LYS 87 -1.276 11.770 -1.882 663 HA LYS 87 HA LYS 87 0.137 12.266 0.693 664 HB2 LYS 87 2HB LYS 87 1.762 12.257 -1.149 665 HB3 LYS 87 3HB LYS 87 0.855 13.563 -1.947 666 HG2 LYS 87 2HG LYS 87 1.462 15.155 -0.328 667 HG3 LYS 87 3HG LYS 87 1.826 13.935 0.886 668 HD2 LYS 87 2HD LYS 87 3.898 14.963 0.067 669 HD3 LYS 87 3HD LYS 87 3.842 13.243 -0.282 670 HE2 LYS 87 2HE LYS 87 4.794 14.308 -2.179 671 HE3 LYS 87 3HE LYS 87 3.199 13.729 -2.643 672 HZ1 LYS 87 3HZ LYS 87 2.367 16.023 -2.354 673 HZ2 LYS 87 1HZ LYS 87 3.602 16.007 -3.419 674 HZ3 LYS 87 2HZ LYS 87 3.849 16.542 -1.901 675 H ASP 88 H ASP 88 -0.872 13.773 1.892 676 HA ASP 88 HA ASP 88 -2.661 14.921 2.624 677 HB2 ASP 88 2HB ASP 88 -1.237 16.676 1.535 678 HB3 ASP 88 3HB ASP 88 -2.314 16.620 0.140 679 H GLY 89 H GLY 89 -3.392 12.592 1.318 680 HA2 GLY 89 2HA GLY 89 -5.204 11.421 0.605 681 HA3 GLY 89 3HA GLY 89 -6.206 12.845 0.837 682 H GLN 90 H GLN 90 -3.675 13.475 -1.428 683 HA GLN 90 HA GLN 90 -5.467 12.913 -3.751 684 HB2 GLN 90 2HB GLN 90 -3.077 14.775 -3.507 685 HB3 GLN 90 3HB GLN 90 -4.010 14.478 -4.982 686 HG2 GLN 90 2HG GLN 90 -6.062 15.331 -3.843 687 HG3 GLN 90 3HG GLN 90 -5.108 15.689 -2.402 688 HE21 GLN 90 1HE2 GLN 90 -6.344 17.848 -3.170 689 HE22 GLN 90 2HE2 GLN 90 -5.318 18.912 -4.124 690 HA PRO 91 HA PRO 91 -2.760 9.545 -4.687 691 HB2 PRO 91 2HB PRO 91 -3.249 9.056 -7.335 692 HB3 PRO 91 3HB PRO 91 -4.427 8.723 -6.029 693 HG2 PRO 91 2HG PRO 91 -4.278 11.171 -7.821 694 HG3 PRO 91 3HG PRO 91 -5.714 10.170 -7.435 695 HD2 PRO 91 2HD PRO 91 -5.192 12.492 -6.115 696 HD3 PRO 91 3HD PRO 91 -5.875 11.076 -5.258 697 H VAL 92 H VAL 92 -0.716 9.190 -5.209 698 HA VAL 92 HA VAL 92 0.827 11.163 -6.877 699 HB VAL 92 HB VAL 92 1.478 9.935 -4.176 700 HG11 VAL 92 1HG1 VAL 92 3.571 9.927 -5.452 701 HG12 VAL 92 2HG1 VAL 92 3.288 11.606 -5.973 702 HG13 VAL 92 3HG1 VAL 92 3.604 11.226 -4.265 703 HG21 VAL 92 3HG2 VAL 92 0.078 11.924 -4.018 704 HG22 VAL 92 1HG2 VAL 92 1.733 12.346 -3.560 705 HG23 VAL 92 2HG2 VAL 92 1.122 12.801 -5.159 706 H LYS 93 H LYS 93 0.581 7.761 -5.832 707 HA LYS 93 HA LYS 93 2.244 6.917 -8.172 708 HB2 LYS 93 2HB LYS 93 3.621 7.187 -5.980 709 HB3 LYS 93 3HB LYS 93 2.696 5.806 -5.395 710 HG2 LYS 93 2HG LYS 93 4.754 4.973 -6.234 711 HG3 LYS 93 3HG LYS 93 3.465 4.476 -7.328 712 HD2 LYS 93 2HD LYS 93 5.471 5.083 -8.542 713 HD3 LYS 93 3HD LYS 93 4.146 6.156 -8.981 714 HE2 LYS 93 2HE LYS 93 5.045 7.938 -7.549 715 HE3 LYS 93 3HE LYS 93 6.283 6.842 -6.915 716 HZ1 LYS 93 3HZ LYS 93 6.088 7.709 -9.743 717 HZ2 LYS 93 1HZ LYS 93 7.209 6.671 -9.143 718 HZ3 LYS 93 2HZ LYS 93 7.180 8.262 -8.658 719 H ARG 94 H ARG 94 1.583 5.135 -9.133 720 HA ARG 94 HA ARG 94 -0.112 3.120 -7.774 721 HB2 ARG 94 2HB ARG 94 -1.680 4.678 -8.973 722 HB3 ARG 94 3HB ARG 94 -0.834 4.344 -10.479 723 HG2 ARG 94 2HG ARG 94 -1.420 1.943 -10.304 724 HG3 ARG 94 3HG ARG 94 -2.242 2.238 -8.762 725 HD2 ARG 94 2HD ARG 94 -3.923 3.607 -9.845 726 HD3 ARG 94 3HD ARG 94 -3.017 3.618 -11.361 727 HE ARG 94 HE ARG 94 -3.409 1.220 -11.608 728 HH11 ARG 94 1HH1 ARG 94 -5.658 2.814 -9.451 729 HH12 ARG 94 2HH1 ARG 94 -6.826 1.530 -9.547 730 HH21 ARG 94 1HH2 ARG 94 -4.849 -0.381 -11.684 731 HH22 ARG 94 2HH2 ARG 94 -6.319 -0.325 -10.771 732 H ILE 95 H ILE 95 1.074 1.290 -7.944 733 HA ILE 95 HA ILE 95 2.080 0.423 -10.585 734 HB ILE 95 HB ILE 95 4.090 -0.433 -9.491 735 HG12 ILE 95 2HG1 ILE 95 3.439 -0.228 -7.127 736 HG13 ILE 95 3HG1 ILE 95 5.077 0.252 -7.535 737 HG21 ILE 95 1HG2 ILE 95 3.995 2.603 -9.597 738 HG22 ILE 95 2HG2 ILE 95 5.452 1.598 -9.711 739 HG23 ILE 95 3HG2 ILE 95 4.213 1.508 -10.974 740 HD11 ILE 95 3HD1 ILE 95 4.600 2.566 -7.258 741 HD12 ILE 95 1HD1 ILE 95 2.874 2.229 -6.917 742 HD13 ILE 95 2HD1 ILE 95 4.137 1.672 -5.810 743 H VAL 96 H VAL 96 2.347 -1.716 -10.920 744 HA VAL 96 HA VAL 96 1.022 -3.514 -8.971 745 HB VAL 96 HB VAL 96 -0.036 -4.609 -10.715 746 HG11 VAL 96 1HG1 VAL 96 -1.143 -2.557 -9.874 747 HG12 VAL 96 2HG1 VAL 96 -0.500 -1.662 -11.262 748 HG13 VAL 96 3HG1 VAL 96 -1.639 -2.997 -11.514 749 HG21 VAL 96 3HG2 VAL 96 1.591 -4.469 -12.562 750 HG22 VAL 96 1HG2 VAL 96 0.005 -3.911 -13.098 751 HG23 VAL 96 2HG2 VAL 96 1.273 -2.728 -12.722 752 H GLY 97 H GLY 97 1.620 -5.723 -9.026 753 HA2 GLY 97 2HA GLY 97 3.101 -7.520 -9.229 754 HA3 GLY 97 3HA GLY 97 4.058 -6.632 -10.407 755 H ALA 98 H ALA 98 5.324 -8.122 -8.415 756 HA ALA 98 HA ALA 98 5.862 -6.681 -6.015 757 HB1 ALA 98 3HB ALA 98 6.176 -9.100 -6.233 758 HB2 ALA 98 1HB ALA 98 7.495 -8.851 -7.399 759 HB3 ALA 98 2HB ALA 98 7.677 -8.331 -5.711 760 H LYS 99 H LYS 99 7.797 -5.731 -5.262 761 HA LYS 99 HA LYS 99 9.865 -4.910 -7.214 762 HB2 LYS 99 2HB LYS 99 8.612 -3.011 -5.182 763 HB3 LYS 99 3HB LYS 99 10.174 -2.763 -5.952 764 HG2 LYS 99 2HG LYS 99 8.928 -1.532 -7.386 765 HG3 LYS 99 3HG LYS 99 8.845 -3.088 -8.205 766 HD2 LYS 99 2HD LYS 99 6.599 -3.397 -6.805 767 HD3 LYS 99 3HD LYS 99 6.760 -1.672 -6.503 768 HE2 LYS 99 2HE LYS 99 5.353 -1.856 -8.371 769 HE3 LYS 99 3HE LYS 99 6.914 -1.342 -9.037 770 HZ1 LYS 99 3HZ LYS 99 5.791 -4.091 -9.010 771 HZ2 LYS 99 1HZ LYS 99 7.276 -3.741 -9.604 772 HZ3 LYS 99 2HZ LYS 99 5.919 -3.157 -10.337 773 H GLY 100 H GLY 100 11.938 -4.891 -6.347 774 HA2 GLY 100 2HA GLY 100 12.421 -6.003 -3.633 775 HA3 GLY 100 3HA GLY 100 13.631 -5.679 -4.875 776 H LYS 101 H LYS 101 13.993 -4.785 -2.284 777 HA LYS 101 HA LYS 101 13.132 -2.236 -1.545 778 HB2 LYS 101 2HB LYS 101 14.939 -4.090 -0.566 779 HB3 LYS 101 3HB LYS 101 16.015 -2.775 -0.988 780 HG2 LYS 101 2HG LYS 101 13.615 -2.684 0.900 781 HG3 LYS 101 3HG LYS 101 15.318 -2.761 1.333 782 HD2 LYS 101 2HD LYS 101 15.667 -0.499 0.326 783 HD3 LYS 101 3HD LYS 101 13.939 -0.427 -0.057 784 HE2 LYS 101 2HE LYS 101 14.396 0.818 1.970 785 HE3 LYS 101 3HE LYS 101 13.331 -0.549 2.298 786 HZ1 LYS 101 3HZ LYS 101 15.195 -1.763 3.242 787 HZ2 LYS 101 1HZ LYS 101 15.150 -0.305 3.970 788 HZ3 LYS 101 2HZ LYS 101 16.262 -0.587 2.813 789 H ALA 102 H ALA 102 15.621 -2.902 -3.924 790 HA ALA 102 HA ALA 102 16.567 -0.182 -4.147 791 HB1 ALA 102 3HB ALA 102 17.570 -0.961 -6.264 792 HB2 ALA 102 1HB ALA 102 17.870 -2.105 -4.943 793 HB3 ALA 102 2HB ALA 102 16.634 -2.468 -6.169 794 H ALA 103 H ALA 103 14.203 -2.001 -6.206 795 HA ALA 103 HA ALA 103 13.520 0.353 -7.745 796 HB1 ALA 103 3HB ALA 103 12.148 -2.366 -7.493 797 HB2 ALA 103 1HB ALA 103 11.826 -1.150 -8.748 798 HB3 ALA 103 2HB ALA 103 13.416 -1.932 -8.664 799 H LEU 104 H LEU 104 11.965 -1.269 -4.905 800 HA LEU 104 HA LEU 104 9.686 0.474 -4.900 801 HB2 LEU 104 2HB LEU 104 9.954 -1.723 -3.589 802 HB3 LEU 104 3HB LEU 104 11.005 -0.839 -2.482 803 HG LEU 104 HG LEU 104 9.082 0.785 -2.112 804 HD11 LEU 104 1HD1 LEU 104 7.461 -1.368 -3.530 805 HD12 LEU 104 2HD1 LEU 104 7.706 0.299 -4.107 806 HD13 LEU 104 3HD1 LEU 104 6.804 0.012 -2.625 807 HD21 LEU 104 3HD2 LEU 104 9.544 -0.896 -0.445 808 HD22 LEU 104 1HD2 LEU 104 8.601 -2.114 -1.355 809 HD23 LEU 104 2HD2 LEU 104 7.802 -0.707 -0.617 810 H LEU 105 H LEU 105 12.989 0.826 -3.398 811 HA LEU 105 HA LEU 105 12.251 3.430 -2.411 812 HB2 LEU 105 2HB LEU 105 14.021 2.074 -1.354 813 HB3 LEU 105 3HB LEU 105 15.049 2.349 -2.767 814 HG LEU 105 HG LEU 105 15.048 4.793 -2.306 815 HD11 LEU 105 1HD1 LEU 105 14.138 5.653 -0.163 816 HD12 LEU 105 2HD1 LEU 105 13.403 4.074 0.165 817 HD13 LEU 105 3HD1 LEU 105 12.838 5.078 -1.189 818 HD21 LEU 105 3HD2 LEU 105 16.744 3.326 -1.287 819 HD22 LEU 105 1HD2 LEU 105 15.722 3.155 0.159 820 HD23 LEU 105 2HD2 LEU 105 16.387 4.743 -0.293 821 H ARG 106 H ARG 106 13.482 2.448 -5.657 822 HA ARG 106 HA ARG 106 13.924 5.191 -6.513 823 HB2 ARG 106 2HB ARG 106 12.746 2.870 -8.113 824 HB3 ARG 106 3HB ARG 106 13.192 4.437 -8.774 825 HG2 ARG 106 2HG ARG 106 15.546 4.074 -8.120 826 HG3 ARG 106 3HG ARG 106 15.130 2.497 -7.455 827 HD2 ARG 106 2HD ARG 106 14.323 1.764 -9.685 828 HD3 ARG 106 3HD ARG 106 14.795 3.341 -10.355 829 HE ARG 106 HE ARG 106 17.061 2.243 -9.049 830 HH11 ARG 106 1HH1 ARG 106 15.157 1.520 -11.900 831 HH12 ARG 106 2HH1 ARG 106 16.493 0.749 -12.710 832 HH21 ARG 106 1HH2 ARG 106 18.724 1.251 -10.140 833 HH22 ARG 106 2HH2 ARG 106 18.458 0.606 -11.734 834 H GLU 107 H GLU 107 10.933 3.231 -6.606 835 HA GLU 107 HA GLU 107 9.319 5.451 -7.438 836 HB2 GLU 107 2HB GLU 107 8.542 2.759 -6.279 837 HB3 GLU 107 3HB GLU 107 7.397 3.916 -6.937 838 HG2 GLU 107 2HG GLU 107 9.603 2.453 -8.419 839 HG3 GLU 107 3HG GLU 107 7.865 2.303 -8.632 840 H LEU 108 H LEU 108 10.080 4.373 -4.169 841 HA LEU 108 HA LEU 108 8.189 6.372 -3.049 842 HB2 LEU 108 2HB LEU 108 9.996 4.362 -1.674 843 HB3 LEU 108 3HB LEU 108 8.837 5.427 -0.878 844 HG LEU 108 HG LEU 108 8.146 3.249 -2.887 845 HD11 LEU 108 1HD1 LEU 108 7.252 2.057 -0.967 846 HD12 LEU 108 2HD1 LEU 108 7.627 3.426 0.107 847 HD13 LEU 108 3HD1 LEU 108 8.935 2.484 -0.640 848 HD21 LEU 108 3HD2 LEU 108 6.323 5.062 -1.258 849 HD22 LEU 108 1HD2 LEU 108 5.793 3.637 -2.183 850 HD23 LEU 108 2HD2 LEU 108 6.466 5.023 -3.032 851 H SER 109 H SER 109 11.723 6.074 -3.496 852 HA SER 109 HA SER 109 12.243 8.382 -1.849 853 HB2 SER 109 2HB SER 109 14.032 6.817 -2.426 854 HB3 SER 109 3HB SER 109 14.030 7.459 -4.086 855 HG SER 109 HG SER 109 14.290 9.091 -1.763 856 H ASP 110 H ASP 110 11.191 7.903 -5.212 857 HA ASP 110 HA ASP 110 11.271 10.588 -6.148 858 HB2 ASP 110 2HB ASP 110 10.686 8.579 -7.463 859 HB3 ASP 110 3HB ASP 110 9.185 8.418 -6.552 860 H VAL 111 H VAL 111 9.253 9.213 -3.598 861 HA VAL 111 HA VAL 111 7.668 11.704 -3.284 862 HB VAL 111 HB VAL 111 7.419 8.970 -1.953 863 HG11 VAL 111 1HG1 VAL 111 5.576 11.387 -1.895 864 HG12 VAL 111 2HG1 VAL 111 5.205 9.776 -1.233 865 HG13 VAL 111 3HG1 VAL 111 6.502 10.727 -0.523 866 HG21 VAL 111 3HG2 VAL 111 5.355 8.775 -3.365 867 HG22 VAL 111 1HG2 VAL 111 5.854 10.245 -4.230 868 HG23 VAL 111 2HG2 VAL 111 6.838 8.769 -4.310 869 H VAL 112 H VAL 112 10.225 9.801 -1.845 870 HA VAL 112 HA VAL 112 10.510 11.624 0.511 871 HB VAL 112 HB VAL 112 11.040 8.624 0.375 872 HG11 VAL 112 1HG1 VAL 112 11.099 8.905 2.874 873 HG12 VAL 112 2HG1 VAL 112 12.446 9.688 2.058 874 HG13 VAL 112 3HG1 VAL 112 11.076 10.662 2.647 875 HG21 VAL 112 3HG2 VAL 112 8.721 10.172 1.621 876 HG22 VAL 112 1HG2 VAL 112 8.617 9.002 0.287 877 HG23 VAL 112 2HG2 VAL 112 9.066 8.448 1.893 878 HA PRO 113 HA PRO 113 14.487 12.031 -1.783 879 HB2 PRO 113 2HB PRO 113 14.296 14.709 -0.409 880 HB3 PRO 113 3HB PRO 113 14.879 14.325 -2.059 881 HG2 PRO 113 2HG PRO 113 12.411 15.369 -1.713 882 HG3 PRO 113 3HG PRO 113 12.637 13.994 -2.847 883 HD2 PRO 113 2HD PRO 113 11.668 13.912 0.031 884 HD3 PRO 113 3HD PRO 113 10.974 13.139 -1.426 885 H ASN 114 H ASN 114 13.588 11.990 1.525 886 HA ASN 114 HA ASN 114 16.048 12.673 2.796 887 HB2 ASN 114 2HB ASN 114 13.703 10.944 3.696 888 HB3 ASN 114 3HB ASN 114 15.019 11.439 4.751 889 HD21 ASN 114 2HD2 ASN 114 12.145 12.094 5.021 890 HD22 ASN 114 1HD2 ASN 114 12.117 13.849 5.012 891 H LEU 115 H LEU 115 15.326 9.785 1.017 892 HA LEU 115 HA LEU 115 17.828 8.516 2.060 893 HB2 LEU 115 2HB LEU 115 15.374 7.226 0.843 894 HB3 LEU 115 3HB LEU 115 16.851 6.372 1.293 895 HG LEU 115 HG LEU 115 14.985 7.779 3.242 896 HD11 LEU 115 1HD1 LEU 115 15.502 4.833 2.640 897 HD12 LEU 115 2HD1 LEU 115 14.010 5.738 2.305 898 HD13 LEU 115 3HD1 LEU 115 14.511 5.441 3.978 899 HD21 LEU 115 3HD2 LEU 115 17.288 7.800 4.109 900 HD22 LEU 115 1HD2 LEU 115 17.461 6.068 3.744 901 HD23 LEU 115 2HD2 LEU 115 16.316 6.621 4.987 902 H ASN 116 H ASN 116 17.260 10.543 -0.258 903 HA ASN 116 HA ASN 116 18.298 9.070 -2.595 904 HB2 ASN 116 2HB ASN 116 16.511 10.733 -2.888 905 HB3 ASN 116 3HB ASN 116 17.539 11.991 -2.204 906 HD21 ASN 116 1HD2 ASN 116 19.701 12.257 -3.367 907 HD22 ASN 116 2HD2 ASN 116 19.597 12.283 -5.137 Start of MODEL 14 1 H1 MET 1 1H MET 1 14.714 -12.871 20.322 2 H2 MET 1 2H MET 1 14.872 -13.207 18.728 3 HA MET 1 HA MET 1 13.893 -11.032 19.039 4 HB2 MET 1 2HB MET 1 13.308 -12.356 17.024 5 HB3 MET 1 3HB MET 1 11.942 -13.071 17.879 6 HG2 MET 1 2HG MET 1 11.262 -11.239 16.377 7 HG3 MET 1 3HG MET 1 10.840 -10.923 18.050 8 HE1 MET 1 3HE MET 1 14.089 -8.696 15.593 9 HE2 MET 1 1HE MET 1 14.283 -10.412 16.003 10 HE3 MET 1 2HE MET 1 12.947 -9.893 14.947 11 H THR 2 H THR 2 12.446 -9.678 20.108 12 HA THR 2 HA THR 2 11.210 -10.723 22.536 13 HB THR 2 HB THR 2 10.562 -8.332 22.893 14 HG1 THR 2 HG1 THR 2 11.579 -6.835 21.477 15 HG21 THR 2 3HG2 THR 2 12.731 -9.227 23.728 16 HG22 THR 2 1HG2 THR 2 12.824 -7.512 23.298 17 HG23 THR 2 2HG2 THR 2 13.508 -8.736 22.206 18 H ASP 3 H ASP 3 9.066 -10.792 23.094 19 HA ASP 3 HA ASP 3 7.107 -11.054 20.938 20 HB2 ASP 3 2HB ASP 3 7.182 -12.664 22.761 21 HB3 ASP 3 3HB ASP 3 6.914 -11.389 23.950 22 H SER 4 H SER 4 6.966 -8.988 20.089 23 HA SER 4 HA SER 4 5.166 -7.098 21.445 24 HB2 SER 4 2HB SER 4 7.538 -6.523 22.171 25 HB3 SER 4 3HB SER 4 7.886 -6.140 20.475 26 HG SER 4 HG SER 4 7.222 -4.311 21.773 27 H GLU 5 H GLU 5 5.090 -5.048 19.811 28 HA GLU 5 HA GLU 5 3.988 -6.083 17.310 29 HB2 GLU 5 2HB GLU 5 2.863 -4.349 18.637 30 HB3 GLU 5 3HB GLU 5 4.215 -3.247 18.379 31 HG2 GLU 5 2HG GLU 5 3.784 -3.208 16.018 32 HG3 GLU 5 3HG GLU 5 2.559 -4.461 16.180 33 H LYS 6 H LYS 6 5.473 -6.767 15.943 34 HA LYS 6 HA LYS 6 8.084 -5.586 15.564 35 HB2 LYS 6 2HB LYS 6 6.699 -7.667 13.840 36 HB3 LYS 6 3HB LYS 6 8.428 -7.388 13.936 37 HG2 LYS 6 2HG LYS 6 6.724 -8.510 16.204 38 HG3 LYS 6 3HG LYS 6 7.617 -9.449 15.034 39 HD2 LYS 6 2HD LYS 6 8.888 -9.451 17.000 40 HD3 LYS 6 3HD LYS 6 9.757 -8.451 15.832 41 HE2 LYS 6 2HE LYS 6 9.083 -6.418 16.983 42 HE3 LYS 6 3HE LYS 6 7.943 -7.313 18.000 43 HZ1 LYS 6 3HZ LYS 6 9.808 -8.435 19.043 44 HZ2 LYS 6 1HZ LYS 6 10.067 -6.833 19.157 45 HZ3 LYS 6 2HZ LYS 6 10.889 -7.705 18.053 46 H SER 7 H SER 7 5.214 -4.626 14.147 47 HA SER 7 HA SER 7 6.607 -3.424 11.775 48 HB2 SER 7 2HB SER 7 5.223 -5.363 11.106 49 HB3 SER 7 3HB SER 7 3.802 -4.587 11.841 50 HG SER 7 HG SER 7 3.800 -4.035 9.690 51 H ALA 8 H ALA 8 5.748 -1.534 10.920 52 HA ALA 8 HA ALA 8 4.101 0.157 12.751 53 HB1 ALA 8 3HB ALA 8 6.405 0.951 12.432 54 HB2 ALA 8 1HB ALA 8 6.160 0.966 10.672 55 HB3 ALA 8 2HB ALA 8 5.238 2.074 11.712 56 H THR 9 H THR 9 3.351 -1.831 10.370 57 HA THR 9 HA THR 9 1.954 -0.011 8.551 58 HB THR 9 HB THR 9 1.069 -2.075 7.502 59 HG1 THR 9 HG1 THR 9 1.863 -4.047 8.184 60 HG21 THR 9 3HG2 THR 9 4.087 -2.141 7.891 61 HG22 THR 9 1HG2 THR 9 3.210 -1.102 6.748 62 HG23 THR 9 2HG2 THR 9 3.166 -2.861 6.553 63 H ILE 10 H ILE 10 -0.282 -0.051 8.098 64 HA ILE 10 HA ILE 10 -2.090 -0.933 10.319 65 HB ILE 10 HB ILE 10 -3.622 0.849 9.735 66 HG12 ILE 10 2HG1 ILE 10 -1.491 1.894 7.817 67 HG13 ILE 10 3HG1 ILE 10 -3.012 1.130 7.344 68 HG21 ILE 10 1HG2 ILE 10 -0.853 1.989 10.299 69 HG22 ILE 10 2HG2 ILE 10 -2.420 2.656 10.801 70 HG23 ILE 10 3HG2 ILE 10 -1.855 1.134 11.491 71 HD11 ILE 10 3HD1 ILE 10 -2.718 3.783 8.795 72 HD12 ILE 10 1HD1 ILE 10 -3.251 3.508 7.130 73 HD13 ILE 10 2HD1 ILE 10 -4.269 2.963 8.478 74 H LYS 11 H LYS 11 -4.205 -1.704 9.714 75 HA LYS 11 HA LYS 11 -4.347 -2.854 6.941 76 HB2 LYS 11 2HB LYS 11 -5.596 -3.886 9.511 77 HB3 LYS 11 3HB LYS 11 -5.842 -4.565 7.895 78 HG2 LYS 11 2HG LYS 11 -3.423 -5.093 7.726 79 HG3 LYS 11 3HG LYS 11 -3.143 -4.367 9.308 80 HD2 LYS 11 2HD LYS 11 -3.200 -6.717 9.656 81 HD3 LYS 11 3HD LYS 11 -4.668 -6.041 10.346 82 HE2 LYS 11 2HE LYS 11 -5.256 -8.077 9.245 83 HE3 LYS 11 3HE LYS 11 -5.932 -6.759 8.287 84 HZ1 LYS 11 3HZ LYS 11 -4.798 -8.480 6.924 85 HZ2 LYS 11 1HZ LYS 11 -3.366 -8.132 7.648 86 HZ3 LYS 11 2HZ LYS 11 -4.157 -7.041 6.689 87 H VAL 12 H VAL 12 -6.071 -2.418 5.677 88 HA VAL 12 HA VAL 12 -8.232 -0.651 6.764 89 HB VAL 12 HB VAL 12 -8.073 0.829 4.896 90 HG11 VAL 12 1HG1 VAL 12 -5.276 0.506 6.055 91 HG12 VAL 12 2HG1 VAL 12 -6.034 1.987 5.448 92 HG13 VAL 12 3HG1 VAL 12 -6.647 1.219 6.923 93 HG21 VAL 12 3HG2 VAL 12 -5.635 -0.720 3.927 94 HG22 VAL 12 1HG2 VAL 12 -7.218 -0.675 3.121 95 HG23 VAL 12 2HG2 VAL 12 -6.256 0.800 3.259 96 H THR 13 H THR 13 -10.180 -0.525 5.602 97 HA THR 13 HA THR 13 -10.726 -2.452 3.428 98 HB THR 13 HB THR 13 -12.807 -3.201 4.502 99 HG1 THR 13 HG1 THR 13 -13.062 -2.837 6.740 100 HG21 THR 13 3HG2 THR 13 -11.919 -4.803 6.054 101 HG22 THR 13 1HG2 THR 13 -10.482 -3.807 6.365 102 HG23 THR 13 2HG2 THR 13 -10.711 -4.568 4.778 103 H ASP 14 H ASP 14 -12.746 -1.965 2.305 104 HA ASP 14 HA ASP 14 -12.915 0.643 1.505 105 HB2 ASP 14 2HB ASP 14 -13.762 -1.404 0.329 106 HB3 ASP 14 3HB ASP 14 -15.165 -1.402 1.389 107 H ALA 15 H ALA 15 -14.714 -0.719 4.210 108 HA ALA 15 HA ALA 15 -16.723 1.347 4.414 109 HB1 ALA 15 3HB ALA 15 -15.707 -0.688 6.448 110 HB2 ALA 15 1HB ALA 15 -17.216 0.241 6.560 111 HB3 ALA 15 2HB ALA 15 -17.014 -0.954 5.266 112 H SER 16 H SER 16 -13.385 1.296 5.353 113 HA SER 16 HA SER 16 -13.702 3.805 6.953 114 HB2 SER 16 2HB SER 16 -11.939 1.433 7.667 115 HB3 SER 16 3HB SER 16 -12.033 2.971 8.547 116 HG SER 16 HG SER 16 -14.228 2.507 9.009 117 H PHE 17 H PHE 17 -12.372 2.597 4.196 118 HA PHE 17 HA PHE 17 -9.668 3.164 4.210 119 HB2 PHE 17 2HB PHE 17 -11.090 2.046 2.431 120 HB3 PHE 17 3HB PHE 17 -11.565 3.640 1.876 121 HD1 PHE 17 HD1 PHE 17 -9.761 5.203 0.925 122 HD2 PHE 17 HD2 PHE 17 -9.021 1.052 1.833 123 HE1 PHE 17 HE1 PHE 17 -7.773 5.227 -0.563 124 HE2 PHE 17 HE2 PHE 17 -7.051 1.079 0.327 125 HZ PHE 17 HZ PHE 17 -6.427 3.166 -0.875 126 H ALA 18 H ALA 18 -12.317 5.524 3.592 127 HA ALA 18 HA ALA 18 -10.557 7.686 2.983 128 HB1 ALA 18 3HB ALA 18 -13.411 7.726 4.053 129 HB2 ALA 18 1HB ALA 18 -12.561 9.091 3.297 130 HB3 ALA 18 2HB ALA 18 -12.933 7.645 2.339 131 H THR 19 H THR 19 -11.772 6.479 6.097 132 HA THR 19 HA THR 19 -10.690 8.730 7.634 133 HB THR 19 HB THR 19 -11.617 6.024 8.678 134 HG1 THR 19 HG1 THR 19 -13.658 6.977 8.847 135 HG21 THR 19 3HG2 THR 19 -11.605 8.819 9.910 136 HG22 THR 19 1HG2 THR 19 -10.585 7.446 10.398 137 HG23 THR 19 2HG2 THR 19 -12.329 7.375 10.656 138 H ASP 20 H ASP 20 -9.553 5.516 6.686 139 HA ASP 20 HA ASP 20 -7.281 5.663 8.580 140 HB2 ASP 20 2HB ASP 20 -8.136 3.533 6.592 141 HB3 ASP 20 3HB ASP 20 -6.760 3.409 7.688 142 H VAL 21 H VAL 21 -7.745 5.734 5.049 143 HA VAL 21 HA VAL 21 -4.834 6.182 4.617 144 HB VAL 21 HB VAL 21 -7.018 5.735 2.548 145 HG11 VAL 21 1HG1 VAL 21 -4.008 5.501 2.273 146 HG12 VAL 21 2HG1 VAL 21 -5.230 5.292 1.004 147 HG13 VAL 21 3HG1 VAL 21 -4.964 6.888 1.701 148 HG21 VAL 21 3HG2 VAL 21 -5.047 3.758 3.775 149 HG22 VAL 21 1HG2 VAL 21 -6.823 3.717 3.913 150 HG23 VAL 21 2HG2 VAL 21 -6.064 3.446 2.352 151 H LEU 22 H LEU 22 -7.913 7.607 3.387 152 HA LEU 22 HA LEU 22 -6.432 9.800 2.322 153 HB2 LEU 22 2HB LEU 22 -9.444 9.661 2.594 154 HB3 LEU 22 3HB LEU 22 -8.522 10.623 1.453 155 HG LEU 22 HG LEU 22 -8.714 7.589 1.480 156 HD11 LEU 22 1HD1 LEU 22 -9.966 7.862 -0.603 157 HD12 LEU 22 2HD1 LEU 22 -9.818 9.630 -0.482 158 HD13 LEU 22 3HD1 LEU 22 -10.767 8.727 0.719 159 HD21 LEU 22 3HD2 LEU 22 -6.508 8.286 0.598 160 HD22 LEU 22 1HD2 LEU 22 -7.326 9.360 -0.558 161 HD23 LEU 22 2HD2 LEU 22 -7.543 7.608 -0.658 162 H SER 23 H SER 23 -7.728 9.479 5.466 163 HA SER 23 HA SER 23 -7.905 12.350 6.005 164 HB2 SER 23 2HB SER 23 -8.147 9.978 7.825 165 HB3 SER 23 3HB SER 23 -8.341 11.663 8.330 166 HG SER 23 HG SER 23 -9.839 10.367 6.280 167 H SER 24 H SER 24 -5.196 10.351 5.656 168 HA SER 24 HA SER 24 -3.610 10.856 7.907 169 HB2 SER 24 2HB SER 24 -2.817 10.396 4.999 170 HB3 SER 24 3HB SER 24 -1.750 10.283 6.401 171 HG SER 24 HG SER 24 -3.868 8.617 5.641 172 H ASN 25 H ASN 25 -2.116 12.370 8.483 173 HA ASN 25 HA ASN 25 -2.218 15.011 7.213 174 HB2 ASN 25 2HB ASN 25 -1.041 15.783 9.149 175 HB3 ASN 25 3HB ASN 25 -2.354 14.738 9.668 176 HD21 ASN 25 1HD2 ASN 25 -0.410 15.297 11.482 177 HD22 ASN 25 2HD2 ASN 25 0.603 13.878 11.717 178 H LYS 26 H LYS 26 -0.424 12.336 6.540 179 HA LYS 26 HA LYS 26 1.597 13.842 5.019 180 HB2 LYS 26 2HB LYS 26 3.428 12.360 5.758 181 HB3 LYS 26 3HB LYS 26 2.750 13.302 7.074 182 HG2 LYS 26 2HG LYS 26 1.430 11.264 7.785 183 HG3 LYS 26 3HG LYS 26 2.275 10.330 6.539 184 HD2 LYS 26 2HD LYS 26 4.423 10.693 7.627 185 HD3 LYS 26 3HD LYS 26 3.739 11.947 8.663 186 HE2 LYS 26 2HE LYS 26 3.922 10.158 10.109 187 HE3 LYS 26 3HE LYS 26 2.208 10.178 9.669 188 HZ1 LYS 26 3HZ LYS 26 3.159 7.948 9.620 189 HZ2 LYS 26 1HZ LYS 26 4.271 8.374 8.507 190 HZ3 LYS 26 2HZ LYS 26 2.649 8.350 8.132 191 HA PRO 27 HA PRO 27 0.668 11.089 1.718 192 HB2 PRO 27 2HB PRO 27 3.593 10.318 1.628 193 HB3 PRO 27 3HB PRO 27 2.514 10.742 0.267 194 HG2 PRO 27 2HG PRO 27 4.231 12.585 1.232 195 HG3 PRO 27 3HG PRO 27 2.529 13.071 0.931 196 HD2 PRO 27 2HD PRO 27 3.818 12.308 3.552 197 HD3 PRO 27 3HD PRO 27 2.732 13.681 3.182 198 H VAL 28 H VAL 28 0.179 8.907 1.262 199 HA VAL 28 HA VAL 28 1.055 6.857 3.208 200 HB VAL 28 HB VAL 28 -0.898 7.769 4.196 201 HG11 VAL 28 1HG1 VAL 28 -1.985 8.802 2.240 202 HG12 VAL 28 2HG1 VAL 28 -2.384 7.182 1.613 203 HG13 VAL 28 3HG1 VAL 28 -3.090 7.759 3.131 204 HG21 VAL 28 3HG2 VAL 28 -0.627 5.285 4.300 205 HG22 VAL 28 1HG2 VAL 28 -2.310 5.811 4.401 206 HG23 VAL 28 2HG2 VAL 28 -1.685 5.128 2.889 207 H LEU 29 H LEU 29 1.343 4.926 2.487 208 HA LEU 29 HA LEU 29 0.925 4.317 -0.408 209 HB2 LEU 29 2HB LEU 29 3.254 4.625 0.694 210 HB3 LEU 29 3HB LEU 29 2.908 3.160 1.586 211 HG LEU 29 HG LEU 29 3.373 3.509 -1.396 212 HD11 LEU 29 1HD1 LEU 29 4.634 1.761 0.769 213 HD12 LEU 29 2HD1 LEU 29 5.306 3.280 0.149 214 HD13 LEU 29 3HD1 LEU 29 5.163 1.870 -0.920 215 HD21 LEU 29 3HD2 LEU 29 3.090 1.030 -1.610 216 HD22 LEU 29 1HD2 LEU 29 1.577 1.894 -1.378 217 HD23 LEU 29 2HD2 LEU 29 2.320 1.007 -0.016 218 H VAL 30 H VAL 30 -0.725 2.875 -0.728 219 HA VAL 30 HA VAL 30 -1.326 0.873 1.415 220 HB VAL 30 HB VAL 30 -3.193 1.587 -0.834 221 HG11 VAL 30 1HG1 VAL 30 -3.595 0.319 1.917 222 HG12 VAL 30 2HG1 VAL 30 -4.868 0.637 0.726 223 HG13 VAL 30 3HG1 VAL 30 -3.608 -0.542 0.361 224 HG21 VAL 30 3HG2 VAL 30 -4.453 3.003 0.707 225 HG22 VAL 30 1HG2 VAL 30 -3.173 2.868 1.924 226 HG23 VAL 30 2HG2 VAL 30 -2.863 3.688 0.382 227 H ASP 31 H ASP 31 -0.835 -1.174 1.048 228 HA ASP 31 HA ASP 31 -0.287 -2.125 -1.729 229 HB2 ASP 31 2HB ASP 31 1.600 -2.362 -0.411 230 HB3 ASP 31 3HB ASP 31 0.713 -2.952 0.986 231 H PHE 32 H PHE 32 -1.771 -3.209 -2.694 232 HA PHE 32 HA PHE 32 -4.060 -4.454 -1.274 233 HB2 PHE 32 2HB PHE 32 -3.507 -3.718 -4.168 234 HB3 PHE 32 3HB PHE 32 -4.868 -4.701 -3.672 235 HD1 PHE 32 HD2 PHE 32 -3.427 -1.433 -2.287 236 HD2 PHE 32 HD1 PHE 32 -6.824 -3.514 -3.958 237 HE1 PHE 32 HE2 PHE 32 -4.817 0.575 -1.987 238 HE2 PHE 32 HE1 PHE 32 -8.170 -1.441 -3.730 239 HZ PHE 32 HZ PHE 32 -7.148 0.617 -2.777 240 H TRP 33 H TRP 33 -3.695 -6.468 -0.635 241 HA TRP 33 HA TRP 33 -1.926 -8.270 -2.211 242 HB2 TRP 33 2HB TRP 33 -0.369 -8.397 -0.505 243 HB3 TRP 33 3HB TRP 33 -0.813 -6.707 -0.412 244 HD1 TRP 33 HD1 TRP 33 -2.862 -6.249 1.509 245 HE1 TRP 33 HE1 TRP 33 -3.328 -7.374 3.772 246 HE3 TRP 33 HE3 TRP 33 0.259 -10.287 1.053 247 HZ2 TRP 33 HZ2 TRP 33 -2.338 -9.643 5.255 248 HZ3 TRP 33 HZ3 TRP 33 0.500 -11.897 2.920 249 HH2 TRP 33 HH2 TRP 33 -0.797 -11.597 5.018 250 H ALA 34 H ALA 34 -1.773 -10.474 -1.371 251 HA ALA 34 HA ALA 34 -3.510 -11.246 0.829 252 HB1 ALA 34 3HB ALA 34 -4.542 -13.151 -0.390 253 HB2 ALA 34 1HB ALA 34 -5.087 -11.590 -1.007 254 HB3 ALA 34 2HB ALA 34 -3.876 -12.523 -1.917 255 H THR 35 H THR 35 -2.846 -13.173 1.841 256 HA THR 35 HA THR 35 -0.062 -13.781 1.614 257 HB THR 35 HB THR 35 -1.398 -13.913 3.695 258 HG1 THR 35 HG1 THR 35 -0.284 -15.712 4.448 259 HG21 THR 35 3HG2 THR 35 -2.631 -15.925 4.266 260 HG22 THR 35 1HG2 THR 35 -2.336 -16.629 2.665 261 HG23 THR 35 2HG2 THR 35 -3.375 -15.196 2.837 262 H TRP 36 H TRP 36 -2.768 -15.164 -0.070 263 HA TRP 36 HA TRP 36 -1.391 -17.593 -0.900 264 HB2 TRP 36 2HB TRP 36 -3.312 -17.823 -2.452 265 HB3 TRP 36 3HB TRP 36 -3.709 -17.725 -0.757 266 HD1 TRP 36 HD1 TRP 36 -5.631 -16.241 -0.132 267 HE1 TRP 36 HE1 TRP 36 -7.188 -14.662 -1.321 268 HE3 TRP 36 HE3 TRP 36 -2.929 -15.557 -4.463 269 HZ2 TRP 36 HZ2 TRP 36 -7.194 -13.082 -3.742 270 HZ3 TRP 36 HZ3 TRP 36 -3.720 -13.912 -6.149 271 HH2 TRP 36 HH2 TRP 36 -5.863 -12.708 -5.817 272 H CYS 37 H CYS 37 -0.871 -14.380 -1.813 273 HA CYS 37 HA CYS 37 -0.025 -15.104 -4.582 274 HB2 CYS 37 2HB CYS 37 -1.582 -13.226 -4.305 275 HB3 CYS 37 3HB CYS 37 -0.438 -12.423 -3.228 276 HG CYS 37 HG CYS 37 -0.366 -11.225 -5.530 277 H GLY 38 H GLY 38 2.034 -15.744 -4.801 278 HA2 GLY 38 2HA GLY 38 4.086 -15.510 -2.856 279 HA3 GLY 38 3HA GLY 38 4.321 -15.908 -4.554 280 HA PRO 39 HA PRO 39 5.791 -11.681 -5.403 281 HB2 PRO 39 2HB PRO 39 3.098 -10.857 -6.489 282 HB3 PRO 39 3HB PRO 39 4.723 -10.470 -7.141 283 HG2 PRO 39 2HG PRO 39 3.303 -12.463 -8.260 284 HG3 PRO 39 3HG PRO 39 5.036 -12.740 -7.875 285 HD2 PRO 39 2HD PRO 39 2.598 -13.624 -6.326 286 HD3 PRO 39 3HD PRO 39 4.093 -14.528 -6.684 287 H CYS 40 H CYS 40 2.426 -11.540 -3.999 288 HA CYS 40 HA CYS 40 2.841 -9.098 -2.540 289 HB2 CYS 40 2HB CYS 40 1.042 -11.482 -1.950 290 HB3 CYS 40 3HB CYS 40 1.039 -9.971 -1.050 291 HG CYS 40 HG CYS 40 0.566 -8.388 -3.089 292 H LYS 41 H LYS 41 3.443 -12.519 -1.653 293 HA LYS 41 HA LYS 41 4.438 -12.015 0.978 294 HB2 LYS 41 2HB LYS 41 3.673 -14.234 -0.178 295 HB3 LYS 41 3HB LYS 41 5.292 -14.306 -0.840 296 HG2 LYS 41 2HG LYS 41 5.142 -15.705 1.120 297 HG3 LYS 41 3HG LYS 41 6.262 -14.386 1.420 298 HD2 LYS 41 2HD LYS 41 4.831 -14.866 3.383 299 HD3 LYS 41 3HD LYS 41 4.636 -13.224 2.804 300 HE2 LYS 41 2HE LYS 41 2.458 -13.996 3.336 301 HE3 LYS 41 3HE LYS 41 2.543 -13.955 1.572 302 HZ1 LYS 41 3HZ LYS 41 1.514 -15.985 2.502 303 HZ2 LYS 41 1HZ LYS 41 2.922 -16.412 3.205 304 HZ3 LYS 41 2HZ LYS 41 2.806 -16.350 1.567 305 H MET 42 H MET 42 6.047 -11.873 -2.147 306 HA MET 42 HA MET 42 8.728 -11.550 -1.118 307 HB2 MET 42 2HB MET 42 8.185 -12.428 -3.347 308 HB3 MET 42 3HB MET 42 7.564 -10.856 -3.849 309 HG2 MET 42 2HG MET 42 10.403 -11.237 -2.854 310 HG3 MET 42 3HG MET 42 9.943 -11.532 -4.528 311 HE1 MET 42 3HE MET 42 11.901 -9.900 -5.264 312 HE2 MET 42 1HE MET 42 12.036 -8.215 -4.719 313 HE3 MET 42 2HE MET 42 12.277 -9.541 -3.562 314 H VAL 43 H VAL 43 6.299 -9.119 -2.301 315 HA VAL 43 HA VAL 43 8.135 -6.946 -1.626 316 HB VAL 43 HB VAL 43 6.590 -6.925 -3.556 317 HG11 VAL 43 1HG1 VAL 43 4.291 -6.209 -3.316 318 HG12 VAL 43 2HG1 VAL 43 4.531 -7.721 -2.434 319 HG13 VAL 43 3HG1 VAL 43 4.424 -6.191 -1.548 320 HG21 VAL 43 3HG2 VAL 43 6.312 -4.517 -1.737 321 HG22 VAL 43 1HG2 VAL 43 7.727 -4.890 -2.742 322 HG23 VAL 43 2HG2 VAL 43 6.161 -4.555 -3.501 323 H ALA 44 H ALA 44 5.549 -8.504 0.187 324 HA ALA 44 HA ALA 44 4.897 -6.559 2.051 325 HB1 ALA 44 3HB ALA 44 3.774 -8.693 1.938 326 HB2 ALA 44 1HB ALA 44 5.238 -9.559 2.439 327 HB3 ALA 44 2HB ALA 44 4.413 -8.472 3.575 328 HA PRO 45 HA PRO 45 8.581 -7.389 4.982 329 HB2 PRO 45 2HB PRO 45 10.929 -8.453 4.001 330 HB3 PRO 45 3HB PRO 45 9.619 -9.417 4.750 331 HG2 PRO 45 2HG PRO 45 10.094 -8.905 1.795 332 HG3 PRO 45 3HG PRO 45 9.801 -10.477 2.612 333 HD2 PRO 45 2HD PRO 45 7.779 -9.186 1.414 334 HD3 PRO 45 3HD PRO 45 7.518 -9.949 3.004 335 H VAL 46 H VAL 46 9.164 -6.501 1.577 336 HA VAL 46 HA VAL 46 11.187 -4.499 2.178 337 HB VAL 46 HB VAL 46 9.410 -4.479 -0.285 338 HG11 VAL 46 1HG1 VAL 46 11.309 -3.375 -1.279 339 HG12 VAL 46 2HG1 VAL 46 10.938 -2.522 0.227 340 HG13 VAL 46 3HG1 VAL 46 12.285 -3.664 0.195 341 HG21 VAL 46 3HG2 VAL 46 11.956 -6.103 0.186 342 HG22 VAL 46 1HG2 VAL 46 10.337 -6.752 -0.164 343 HG23 VAL 46 2HG2 VAL 46 11.186 -5.829 -1.393 344 H LEU 47 H LEU 47 7.658 -4.394 1.584 345 HA LEU 47 HA LEU 47 7.264 -1.611 2.159 346 HB2 LEU 47 2HB LEU 47 5.545 -4.103 2.243 347 HB3 LEU 47 3HB LEU 47 4.890 -2.555 2.757 348 HG LEU 47 HG LEU 47 6.171 -2.859 0.021 349 HD11 LEU 47 1HD1 LEU 47 3.308 -3.372 0.860 350 HD12 LEU 47 2HD1 LEU 47 4.440 -4.556 0.186 351 HD13 LEU 47 3HD1 LEU 47 3.869 -3.222 -0.828 352 HD21 LEU 47 3HD2 LEU 47 4.702 -0.937 -0.494 353 HD22 LEU 47 1HD2 LEU 47 5.758 -0.546 0.867 354 HD23 LEU 47 2HD2 LEU 47 4.056 -0.965 1.154 355 H GLU 48 H GLU 48 7.398 -4.454 4.343 356 HA GLU 48 HA GLU 48 6.630 -3.078 6.727 357 HB2 GLU 48 2HB GLU 48 6.791 -5.591 6.285 358 HB3 GLU 48 3HB GLU 48 8.538 -5.442 6.524 359 HG2 GLU 48 2HG GLU 48 8.064 -4.496 8.814 360 HG3 GLU 48 3HG GLU 48 6.341 -4.760 8.504 361 H GLU 49 H GLU 49 9.887 -3.597 5.269 362 HA GLU 49 HA GLU 49 11.338 -2.083 7.256 363 HB2 GLU 49 2HB GLU 49 11.920 -2.744 4.345 364 HB3 GLU 49 3HB GLU 49 12.981 -1.757 5.355 365 HG2 GLU 49 2HG GLU 49 13.242 -3.590 6.962 366 HG3 GLU 49 3HG GLU 49 12.155 -4.608 6.015 367 H ILE 50 H ILE 50 9.832 -1.057 4.123 368 HA ILE 50 HA ILE 50 10.532 1.715 4.381 369 HB ILE 50 HB ILE 50 8.224 0.294 3.013 370 HG12 ILE 50 2HG1 ILE 50 10.458 -0.164 2.058 371 HG13 ILE 50 3HG1 ILE 50 9.385 0.654 0.943 372 HG21 ILE 50 1HG2 ILE 50 7.447 2.582 3.465 373 HG22 ILE 50 2HG2 ILE 50 8.894 3.241 2.698 374 HG23 ILE 50 3HG2 ILE 50 7.709 2.298 1.760 375 HD11 ILE 50 3HD1 ILE 50 11.668 1.971 2.485 376 HD12 ILE 50 1HD1 ILE 50 11.693 1.469 0.787 377 HD13 ILE 50 2HD1 ILE 50 10.615 2.773 1.292 378 H ALA 51 H ALA 51 7.638 -0.044 5.630 379 HA ALA 51 HA ALA 51 6.329 2.171 6.796 380 HB1 ALA 51 3HB ALA 51 5.132 0.511 8.087 381 HB2 ALA 51 1HB ALA 51 5.465 -0.208 6.495 382 HB3 ALA 51 2HB ALA 51 6.431 -0.677 7.897 383 H THR 52 H THR 52 8.840 0.045 8.138 384 HA THR 52 HA THR 52 8.858 1.267 10.766 385 HB THR 52 HB THR 52 10.953 -0.500 9.441 386 HG1 THR 52 HG1 THR 52 9.058 -1.590 9.478 387 HG21 THR 52 3HG2 THR 52 11.462 -1.181 11.782 388 HG22 THR 52 1HG2 THR 52 10.359 0.081 12.379 389 HG23 THR 52 2HG2 THR 52 11.839 0.521 11.491 390 H GLU 53 H GLU 53 10.966 1.635 7.898 391 HA GLU 53 HA GLU 53 12.757 3.475 9.333 392 HB2 GLU 53 2HB GLU 53 12.874 2.299 6.530 393 HB3 GLU 53 3HB GLU 53 14.135 3.250 7.305 394 HG2 GLU 53 2HG GLU 53 14.107 1.498 9.197 395 HG3 GLU 53 3HG GLU 53 13.160 0.485 8.131 396 H ARG 54 H ARG 54 10.176 3.859 6.994 397 HA ARG 54 HA ARG 54 10.982 6.714 6.495 398 HB2 ARG 54 2HB ARG 54 9.106 5.070 4.784 399 HB3 ARG 54 3HB ARG 54 9.829 6.614 4.398 400 HG2 ARG 54 2HG ARG 54 11.409 4.011 4.642 401 HG3 ARG 54 3HG ARG 54 10.736 4.648 3.154 402 HD2 ARG 54 2HD ARG 54 13.073 5.159 3.230 403 HD3 ARG 54 3HD ARG 54 12.127 6.653 3.303 404 HE ARG 54 HE ARG 54 12.739 5.796 5.964 405 HH11 ARG 54 2HH1 ARG 54 14.469 7.154 3.250 406 HH12 ARG 54 1HH1 ARG 54 15.552 8.058 4.284 407 HH21 ARG 54 1HH2 ARG 54 14.123 6.842 7.196 408 HH22 ARG 54 2HH2 ARG 54 15.395 7.832 6.503 409 H ALA 55 H ALA 55 9.322 5.460 8.762 410 HA ALA 55 HA ALA 55 6.639 6.140 8.604 411 HB1 ALA 55 3HB ALA 55 7.719 4.868 10.435 412 HB2 ALA 55 1HB ALA 55 8.496 6.356 11.017 413 HB3 ALA 55 2HB ALA 55 6.728 6.192 11.068 414 H THR 56 H THR 56 9.322 8.399 9.080 415 HA THR 56 HA THR 56 7.817 10.717 9.903 416 HB THR 56 HB THR 56 9.961 11.881 9.021 417 HG1 THR 56 HG1 THR 56 10.742 10.311 7.628 418 HG21 THR 56 3HG2 THR 56 11.307 11.084 10.911 419 HG22 THR 56 1HG2 THR 56 10.244 9.674 11.108 420 HG23 THR 56 2HG2 THR 56 9.619 11.313 11.399 421 H ASP 57 H ASP 57 8.295 9.226 6.805 422 HA ASP 57 HA ASP 57 7.464 11.690 5.313 423 HB2 ASP 57 2HB ASP 57 9.108 9.272 4.457 424 HB3 ASP 57 3HB ASP 57 8.685 10.646 3.445 425 H LEU 58 H LEU 58 6.816 8.272 5.802 426 HA LEU 58 HA LEU 58 4.399 8.391 4.066 427 HB2 LEU 58 2HB LEU 58 6.376 6.104 4.418 428 HB3 LEU 58 3HB LEU 58 4.839 5.980 3.562 429 HG LEU 58 HG LEU 58 7.140 7.772 2.708 430 HD11 LEU 58 1HD1 LEU 58 6.187 5.084 1.638 431 HD12 LEU 58 2HD1 LEU 58 7.702 5.393 2.515 432 HD13 LEU 58 3HD1 LEU 58 7.450 6.108 0.917 433 HD21 LEU 58 3HD2 LEU 58 5.869 7.881 0.564 434 HD22 LEU 58 1HD2 LEU 58 4.994 8.620 1.906 435 HD23 LEU 58 2HD2 LEU 58 4.526 7.002 1.337 436 H THR 59 H THR 59 2.615 7.373 4.808 437 HA THR 59 HA THR 59 2.784 5.623 7.251 438 HB THR 59 HB THR 59 0.328 6.754 5.855 439 HG1 THR 59 HG1 THR 59 0.125 7.914 7.769 440 HG21 THR 59 3HG2 THR 59 0.586 5.077 8.396 441 HG22 THR 59 1HG2 THR 59 -0.185 4.562 6.876 442 HG23 THR 59 2HG2 THR 59 -0.902 5.865 7.826 443 H VAL 60 H VAL 60 2.453 3.380 6.896 444 HA VAL 60 HA VAL 60 2.009 2.583 4.039 445 HB VAL 60 HB VAL 60 3.797 1.178 6.026 446 HG11 VAL 60 1HG1 VAL 60 4.379 -0.250 4.065 447 HG12 VAL 60 2HG1 VAL 60 2.677 -0.435 4.487 448 HG13 VAL 60 3HG1 VAL 60 3.136 0.571 3.097 449 HG21 VAL 60 3HG2 VAL 60 4.405 2.739 3.474 450 HG22 VAL 60 1HG2 VAL 60 4.858 3.206 5.128 451 HG23 VAL 60 2HG2 VAL 60 5.566 1.762 4.393 452 H ALA 61 H ALA 61 0.366 1.314 3.630 453 HA ALA 61 HA ALA 61 -1.174 0.082 5.860 454 HB1 ALA 61 3HB ALA 61 -2.092 2.270 5.202 455 HB2 ALA 61 1HB ALA 61 -2.165 1.735 3.516 456 HB3 ALA 61 2HB ALA 61 -3.200 0.961 4.735 457 H LYS 62 H LYS 62 -2.597 -1.597 5.311 458 HA LYS 62 HA LYS 62 -1.922 -3.209 2.865 459 HB2 LYS 62 2HB LYS 62 -2.516 -4.091 5.719 460 HB3 LYS 62 3HB LYS 62 -2.205 -5.174 4.377 461 HG2 LYS 62 2HG LYS 62 -0.191 -3.142 5.465 462 HG3 LYS 62 3HG LYS 62 -0.288 -4.808 5.992 463 HD2 LYS 62 2HD LYS 62 0.265 -4.004 3.103 464 HD3 LYS 62 3HD LYS 62 1.513 -4.340 4.314 465 HE2 LYS 62 2HE LYS 62 0.512 -6.615 4.678 466 HE3 LYS 62 3HE LYS 62 -0.639 -6.281 3.381 467 HZ1 LYS 62 3HZ LYS 62 1.235 -6.052 1.844 468 HZ2 LYS 62 1HZ LYS 62 1.245 -7.529 2.549 469 HZ3 LYS 62 2HZ LYS 62 2.304 -6.375 3.045 470 H LEU 63 H LEU 63 -3.595 -3.638 1.591 471 HA LEU 63 HA LEU 63 -6.347 -3.882 2.762 472 HB2 LEU 63 2HB LEU 63 -6.214 -2.036 1.180 473 HB3 LEU 63 3HB LEU 63 -5.496 -3.059 -0.044 474 HG LEU 63 HG LEU 63 -7.871 -2.462 -0.383 475 HD11 LEU 63 1HD1 LEU 63 -6.850 -4.532 -1.404 476 HD12 LEU 63 2HD1 LEU 63 -8.619 -4.488 -1.298 477 HD13 LEU 63 3HD1 LEU 63 -7.703 -5.469 -0.157 478 HD21 LEU 63 3HD2 LEU 63 -9.646 -3.681 0.845 479 HD22 LEU 63 1HD2 LEU 63 -8.738 -2.569 1.880 480 HD23 LEU 63 2HD2 LEU 63 -8.445 -4.324 1.961 481 H ASP 64 H ASP 64 -6.799 -5.866 3.119 482 HA ASP 64 HA ASP 64 -5.433 -8.096 1.841 483 HB2 ASP 64 2HB ASP 64 -7.609 -7.833 3.950 484 HB3 ASP 64 3HB ASP 64 -6.989 -9.374 3.369 485 H VAL 65 H VAL 65 -6.068 -8.343 -0.336 486 HA VAL 65 HA VAL 65 -8.760 -7.848 -1.227 487 HB VAL 65 HB VAL 65 -8.172 -8.734 -3.360 488 HG11 VAL 65 1HG1 VAL 65 -6.318 -7.276 -3.931 489 HG12 VAL 65 2HG1 VAL 65 -7.397 -6.492 -2.775 490 HG13 VAL 65 3HG1 VAL 65 -5.841 -7.152 -2.226 491 HG21 VAL 65 3HG2 VAL 65 -5.509 -9.676 -2.249 492 HG22 VAL 65 1HG2 VAL 65 -6.846 -10.743 -2.727 493 HG23 VAL 65 2HG2 VAL 65 -6.040 -9.732 -3.930 494 H ASP 66 H ASP 66 -7.453 -10.579 0.326 495 HA ASP 66 HA ASP 66 -9.328 -12.559 -0.671 496 HB2 ASP 66 2HB ASP 66 -7.031 -12.980 0.326 497 HB3 ASP 66 3HB ASP 66 -7.710 -12.583 1.905 498 H THR 67 H THR 67 -9.483 -10.093 1.848 499 HA THR 67 HA THR 67 -12.111 -11.198 2.788 500 HB THR 67 HB THR 67 -11.716 -10.101 4.929 501 HG1 THR 67 HG1 THR 67 -9.654 -9.322 5.388 502 HG21 THR 67 3HG2 THR 67 -11.032 -12.481 4.618 503 HG22 THR 67 1HG2 THR 67 -10.055 -11.630 5.826 504 HG23 THR 67 2HG2 THR 67 -9.390 -11.937 4.207 505 H ASN 68 H ASN 68 -10.462 -8.234 1.649 506 HA ASN 68 HA ASN 68 -13.198 -7.121 1.279 507 HB2 ASN 68 2HB ASN 68 -12.007 -6.118 3.268 508 HB3 ASN 68 3HB ASN 68 -10.816 -5.453 2.147 509 HD21 ASN 68 1HD2 ASN 68 -14.308 -5.510 2.963 510 HD22 ASN 68 2HD2 ASN 68 -14.648 -3.951 2.235 511 HA PRO 69 HA PRO 69 -11.115 -6.950 -2.860 512 HB2 PRO 69 2HB PRO 69 -13.116 -8.145 -4.282 513 HB3 PRO 69 3HB PRO 69 -11.832 -9.076 -3.455 514 HG2 PRO 69 2HG PRO 69 -14.623 -8.449 -2.433 515 HG3 PRO 69 3HG PRO 69 -13.802 -10.043 -2.493 516 HD2 PRO 69 2HD PRO 69 -13.835 -8.536 -0.236 517 HD3 PRO 69 3HD PRO 69 -12.390 -9.487 -0.684 518 H GLU 70 H GLU 70 -13.975 -5.913 -1.220 519 HA GLU 70 HA GLU 70 -15.280 -4.291 -3.108 520 HB2 GLU 70 2HB GLU 70 -14.867 -3.781 -0.139 521 HB3 GLU 70 3HB GLU 70 -16.079 -3.005 -1.153 522 HG2 GLU 70 2HG GLU 70 -15.946 -5.990 -0.522 523 HG3 GLU 70 3HG GLU 70 -17.019 -4.820 0.233 524 H THR 71 H THR 71 -12.418 -3.437 -1.068 525 HA THR 71 HA THR 71 -12.199 -0.748 -2.097 526 HB THR 71 HB THR 71 -9.920 -2.441 -1.113 527 HG1 THR 71 HG1 THR 71 -11.533 -2.352 0.483 528 HG21 THR 71 3HG2 THR 71 -10.386 0.572 -0.937 529 HG22 THR 71 1HG2 THR 71 -9.374 -0.181 -2.179 530 HG23 THR 71 2HG2 THR 71 -8.924 -0.325 -0.477 531 H ALA 72 H ALA 72 -10.784 -3.872 -3.194 532 HA ALA 72 HA ALA 72 -9.088 -2.782 -5.205 533 HB1 ALA 72 3HB ALA 72 -8.900 -5.053 -4.205 534 HB2 ALA 72 1HB ALA 72 -10.371 -5.542 -5.079 535 HB3 ALA 72 2HB ALA 72 -8.914 -5.075 -5.975 536 H ARG 73 H ARG 73 -12.518 -3.832 -5.428 537 HA ARG 73 HA ARG 73 -12.623 -3.054 -8.257 538 HB2 ARG 73 2HB ARG 73 -14.884 -3.713 -8.282 539 HB3 ARG 73 3HB ARG 73 -13.961 -4.924 -7.395 540 HG2 ARG 73 2HG ARG 73 -14.786 -3.924 -5.251 541 HG3 ARG 73 3HG ARG 73 -15.768 -2.782 -6.186 542 HD2 ARG 73 2HD ARG 73 -16.882 -4.796 -7.279 543 HD3 ARG 73 3HD ARG 73 -15.997 -5.817 -6.148 544 HE ARG 73 HE ARG 73 -17.378 -5.149 -4.390 545 HH11 ARG 73 1HH2 ARG 73 -18.247 -3.237 -7.214 546 HH12 ARG 73 2HH2 ARG 73 -19.664 -2.590 -6.437 547 HH21 ARG 73 1HH1 ARG 73 -19.104 -4.188 -3.433 548 HH22 ARG 73 2HH1 ARG 73 -20.159 -3.148 -4.366 549 H ASN 74 H ASN 74 -13.627 -1.432 -5.224 550 HA ASN 74 HA ASN 74 -14.984 0.718 -6.540 551 HB2 ASN 74 2HB ASN 74 -15.280 0.014 -4.159 552 HB3 ASN 74 3HB ASN 74 -13.677 0.647 -3.786 553 HD21 ASN 74 1HD2 ASN 74 -14.861 1.950 -2.178 554 HD22 ASN 74 2HD2 ASN 74 -15.645 3.435 -2.732 555 H PHE 75 H PHE 75 -11.570 0.355 -5.570 556 HA PHE 75 HA PHE 75 -10.885 3.004 -6.740 557 HB2 PHE 75 2HB PHE 75 -9.320 1.046 -5.036 558 HB3 PHE 75 3HB PHE 75 -8.596 2.441 -5.809 559 HD1 PHE 75 HD2 PHE 75 -11.166 1.442 -3.281 560 HD2 PHE 75 HD1 PHE 75 -8.841 4.661 -4.961 561 HE1 PHE 75 HE2 PHE 75 -11.897 2.929 -1.437 562 HE2 PHE 75 HE1 PHE 75 -9.570 6.147 -3.110 563 HZ PHE 75 HZ PHE 75 -11.110 5.288 -1.355 564 H GLN 76 H GLN 76 -11.605 0.267 -8.107 565 HA GLN 76 HA GLN 76 -11.259 -0.813 -9.971 566 HB2 GLN 76 2HB GLN 76 -11.561 1.530 -10.735 567 HB3 GLN 76 3HB GLN 76 -9.810 1.690 -10.903 568 HG2 GLN 76 2HG GLN 76 -9.772 0.005 -12.664 569 HG3 GLN 76 3HG GLN 76 -11.478 -0.383 -12.392 570 HE21 GLN 76 1HE2 GLN 76 -13.106 1.333 -12.968 571 HE22 GLN 76 2HE2 GLN 76 -12.653 2.517 -14.185 572 H VAL 77 H VAL 77 -8.435 -0.194 -8.237 573 HA VAL 77 HA VAL 77 -6.547 -1.555 -9.949 574 HB VAL 77 HB VAL 77 -5.024 -1.409 -8.038 575 HG11 VAL 77 1HG1 VAL 77 -5.287 0.430 -9.712 576 HG12 VAL 77 2HG1 VAL 77 -6.427 1.227 -8.623 577 HG13 VAL 77 3HG1 VAL 77 -4.745 0.994 -8.121 578 HG21 VAL 77 3HG2 VAL 77 -5.590 -0.132 -6.038 579 HG22 VAL 77 1HG2 VAL 77 -7.254 0.113 -6.599 580 HG23 VAL 77 2HG2 VAL 77 -6.689 -1.508 -6.157 581 H VAL 78 H VAL 78 -8.468 -3.258 -10.029 582 HA VAL 78 HA VAL 78 -8.275 -5.416 -8.093 583 HB VAL 78 HB VAL 78 -10.312 -4.779 -9.358 584 HG11 VAL 78 1HG1 VAL 78 -9.330 -4.483 -11.617 585 HG12 VAL 78 2HG1 VAL 78 -9.044 -6.236 -11.713 586 HG13 VAL 78 3HG1 VAL 78 -10.697 -5.605 -11.611 587 HG21 VAL 78 3HG2 VAL 78 -9.549 -7.698 -9.694 588 HG22 VAL 78 1HG2 VAL 78 -10.127 -6.944 -8.189 589 HG23 VAL 78 2HG2 VAL 78 -11.183 -7.013 -9.609 590 H SER 79 H SER 79 -6.471 -4.627 -10.955 591 HA SER 79 HA SER 79 -5.171 -7.231 -11.229 592 HB2 SER 79 2HB SER 79 -3.461 -5.801 -12.508 593 HB3 SER 79 3HB SER 79 -5.079 -6.041 -13.180 594 HG SER 79 HG SER 79 -4.659 -3.916 -13.396 595 H ILE 80 H ILE 80 -3.499 -8.007 -10.138 596 HA ILE 80 HA ILE 80 -2.339 -6.400 -7.937 597 HB ILE 80 HB ILE 80 -2.791 -8.467 -6.465 598 HG12 ILE 80 2HG1 ILE 80 -4.913 -8.997 -8.590 599 HG13 ILE 80 3HG1 ILE 80 -3.495 -9.999 -8.270 600 HG21 ILE 80 1HG2 ILE 80 -4.890 -7.517 -5.734 601 HG22 ILE 80 2HG2 ILE 80 -3.824 -6.210 -6.235 602 HG23 ILE 80 3HG2 ILE 80 -5.144 -6.728 -7.304 603 HD11 ILE 80 3HD1 ILE 80 -4.361 -10.402 -5.951 604 HD12 ILE 80 1HD1 ILE 80 -5.837 -9.499 -6.394 605 HD13 ILE 80 2HD1 ILE 80 -5.426 -10.990 -7.248 606 HA PRO 81 HA PRO 81 -0.957 -7.105 -5.914 607 HB2 PRO 81 2HB PRO 81 1.912 -6.369 -6.199 608 HB3 PRO 81 3HB PRO 81 1.074 -7.127 -4.821 609 HG2 PRO 81 2HG PRO 81 2.772 -8.514 -6.468 610 HG3 PRO 81 3HG PRO 81 1.320 -9.280 -5.753 611 HD2 PRO 81 2HD PRO 81 1.673 -8.199 -8.543 612 HD3 PRO 81 3HD PRO 81 0.862 -9.690 -7.994 613 H THR 82 H THR 82 -1.156 -4.908 -5.391 614 HA THR 82 HA THR 82 -0.065 -2.870 -7.275 615 HB THR 82 HB THR 82 -2.920 -2.957 -6.260 616 HG1 THR 82 HG1 THR 82 -2.618 -3.768 -8.274 617 HG21 THR 82 3HG2 THR 82 -2.245 -0.691 -5.743 618 HG22 THR 82 1HG2 THR 82 -3.081 -0.630 -7.286 619 HG23 THR 82 2HG2 THR 82 -1.306 -0.568 -7.250 620 H LEU 83 H LEU 83 1.076 -1.423 -6.320 621 HA LEU 83 HA LEU 83 0.635 -0.647 -3.461 622 HB2 LEU 83 2HB LEU 83 3.027 -0.496 -5.326 623 HB3 LEU 83 3HB LEU 83 2.877 0.569 -3.944 624 HG LEU 83 HG LEU 83 2.805 -1.422 -2.426 625 HD11 LEU 83 1HD1 LEU 83 2.053 -3.234 -3.871 626 HD12 LEU 83 2HD1 LEU 83 3.680 -3.599 -3.322 627 HD13 LEU 83 3HD1 LEU 83 3.430 -2.988 -4.973 628 HD21 LEU 83 3HD2 LEU 83 4.884 -0.204 -2.919 629 HD22 LEU 83 1HD2 LEU 83 5.190 -1.255 -4.319 630 HD23 LEU 83 2HD2 LEU 83 5.215 -1.926 -2.674 631 H ILE 84 H ILE 84 -0.652 1.134 -3.352 632 HA ILE 84 HA ILE 84 -0.555 3.148 -5.569 633 HB ILE 84 HB ILE 84 -2.636 1.933 -5.740 634 HG12 ILE 84 2HG1 ILE 84 -4.305 3.750 -5.424 635 HG13 ILE 84 3HG1 ILE 84 -3.102 4.708 -4.561 636 HG21 ILE 84 1HG2 ILE 84 -3.176 2.651 -2.857 637 HG22 ILE 84 2HG2 ILE 84 -4.337 1.924 -3.985 638 HG23 ILE 84 3HG2 ILE 84 -2.888 1.029 -3.519 639 HD11 ILE 84 3HD1 ILE 84 -2.837 3.729 -7.445 640 HD12 ILE 84 1HD1 ILE 84 -3.380 5.346 -6.960 641 HD13 ILE 84 2HD1 ILE 84 -1.727 4.837 -6.601 642 H LEU 85 H LEU 85 0.038 5.078 -5.053 643 HA LEU 85 HA LEU 85 0.435 5.762 -2.182 644 HB2 LEU 85 2HB LEU 85 2.395 5.387 -3.743 645 HB3 LEU 85 3HB LEU 85 1.830 6.776 -4.668 646 HG LEU 85 HG LEU 85 2.098 8.168 -2.548 647 HD11 LEU 85 1HD1 LEU 85 3.601 7.364 -0.827 648 HD12 LEU 85 2HD1 LEU 85 3.708 5.774 -1.607 649 HD13 LEU 85 3HD1 LEU 85 2.173 6.331 -0.894 650 HD21 LEU 85 3HD2 LEU 85 4.546 6.787 -3.733 651 HD22 LEU 85 1HD2 LEU 85 4.576 8.298 -2.805 652 HD23 LEU 85 2HD2 LEU 85 3.743 8.237 -4.371 653 H PHE 86 H PHE 86 -0.770 7.261 -1.321 654 HA PHE 86 HA PHE 86 -2.089 9.357 -2.981 655 HB2 PHE 86 2HB PHE 86 -2.806 8.440 -0.187 656 HB3 PHE 86 3HB PHE 86 -3.672 9.605 -1.158 657 HD1 PHE 86 HD1 PHE 86 -2.776 5.984 -0.869 658 HD2 PHE 86 HD2 PHE 86 -5.404 8.893 -2.654 659 HE1 PHE 86 HE1 PHE 86 -4.251 4.168 -1.683 660 HE2 PHE 86 HE2 PHE 86 -6.843 7.069 -3.519 661 HZ PHE 86 HZ PHE 86 -6.268 4.698 -3.037 662 H LYS 87 H LYS 87 -1.406 11.485 -2.652 663 HA LYS 87 HA LYS 87 0.741 11.857 -0.598 664 HB2 LYS 87 2HB LYS 87 1.072 12.278 -3.078 665 HB3 LYS 87 3HB LYS 87 0.086 13.740 -2.871 666 HG2 LYS 87 2HG LYS 87 1.715 14.498 -1.098 667 HG3 LYS 87 3HG LYS 87 2.688 13.054 -1.416 668 HD2 LYS 87 2HD LYS 87 2.085 15.265 -3.422 669 HD3 LYS 87 3HD LYS 87 3.577 15.095 -2.480 670 HE2 LYS 87 2HE LYS 87 4.026 12.910 -3.544 671 HE3 LYS 87 3HE LYS 87 2.551 13.066 -4.504 672 HZ1 LYS 87 3HZ LYS 87 4.501 13.807 -5.766 673 HZ2 LYS 87 1HZ LYS 87 4.866 14.930 -4.639 674 HZ3 LYS 87 2HZ LYS 87 3.502 15.073 -5.523 675 H ASP 88 H ASP 88 -2.400 13.087 -1.358 676 HA ASP 88 HA ASP 88 -2.641 14.423 1.253 677 HB2 ASP 88 2HB ASP 88 -1.585 16.144 -0.199 678 HB3 ASP 88 3HB ASP 88 -2.907 15.988 -1.350 679 H GLY 89 H GLY 89 -3.952 12.262 0.903 680 HA2 GLY 89 2HA GLY 89 -5.971 11.205 0.788 681 HA3 GLY 89 3HA GLY 89 -6.769 12.768 0.848 682 H GLN 90 H GLN 90 -4.575 12.111 -1.760 683 HA GLN 90 HA GLN 90 -6.663 11.325 -3.680 684 HB2 GLN 90 2HB GLN 90 -6.089 13.141 -5.212 685 HB3 GLN 90 3HB GLN 90 -6.706 13.747 -3.678 686 HG2 GLN 90 2HG GLN 90 -4.136 13.985 -3.041 687 HG3 GLN 90 3HG GLN 90 -3.887 13.885 -4.782 688 HE21 GLN 90 1HE2 GLN 90 -5.402 15.763 -2.141 689 HE22 GLN 90 2HE2 GLN 90 -5.586 17.235 -3.092 690 HA PRO 91 HA PRO 91 -3.264 8.748 -4.818 691 HB2 PRO 91 2HB PRO 91 -4.083 7.691 -7.200 692 HB3 PRO 91 3HB PRO 91 -4.853 7.293 -5.633 693 HG2 PRO 91 2HG PRO 91 -5.754 9.333 -7.693 694 HG3 PRO 91 3HG PRO 91 -6.740 8.084 -6.866 695 HD2 PRO 91 2HD PRO 91 -6.661 10.672 -6.006 696 HD3 PRO 91 3HD PRO 91 -6.772 9.307 -4.855 697 H VAL 92 H VAL 92 -1.348 8.841 -5.841 698 HA VAL 92 HA VAL 92 -0.938 10.835 -8.054 699 HB VAL 92 HB VAL 92 0.774 10.418 -5.574 700 HG11 VAL 92 1HG1 VAL 92 1.178 12.253 -7.980 701 HG12 VAL 92 2HG1 VAL 92 2.094 12.349 -6.464 702 HG13 VAL 92 3HG1 VAL 92 2.243 10.919 -7.476 703 HG21 VAL 92 3HG2 VAL 92 -0.955 12.739 -6.547 704 HG22 VAL 92 1HG2 VAL 92 -1.192 11.777 -5.073 705 HG23 VAL 92 2HG2 VAL 92 0.199 12.858 -5.211 706 H LYS 93 H LYS 93 0.288 7.785 -6.577 707 HA LYS 93 HA LYS 93 1.589 7.153 -9.189 708 HB2 LYS 93 2HB LYS 93 3.154 8.312 -7.458 709 HB3 LYS 93 3HB LYS 93 3.074 6.793 -6.563 710 HG2 LYS 93 2HG LYS 93 3.922 5.608 -8.629 711 HG3 LYS 93 3HG LYS 93 4.049 7.192 -9.418 712 HD2 LYS 93 2HD LYS 93 5.585 7.907 -7.486 713 HD3 LYS 93 3HD LYS 93 5.529 6.233 -6.928 714 HE2 LYS 93 2HE LYS 93 7.529 6.405 -8.161 715 HE3 LYS 93 3HE LYS 93 6.409 5.533 -9.217 716 HZ1 LYS 93 3HZ LYS 93 6.009 7.681 -10.370 717 HZ2 LYS 93 1HZ LYS 93 7.595 7.300 -10.414 718 HZ3 LYS 93 2HZ LYS 93 7.064 8.443 -9.370 719 H ARG 94 H ARG 94 1.372 5.099 -9.794 720 HA ARG 94 HA ARG 94 0.582 3.016 -7.796 721 HB2 ARG 94 2HB ARG 94 -1.261 3.649 -9.399 722 HB3 ARG 94 3HB ARG 94 -0.236 3.077 -10.722 723 HG2 ARG 94 2HG ARG 94 -0.156 0.807 -9.567 724 HG3 ARG 94 3HG ARG 94 -1.315 1.440 -8.383 725 HD2 ARG 94 2HD ARG 94 -2.965 1.794 -10.171 726 HD3 ARG 94 3HD ARG 94 -1.772 1.298 -11.388 727 HE ARG 94 HE ARG 94 -2.210 -0.762 -9.367 728 HH11 ARG 94 1HH1 ARG 94 -3.515 0.426 -12.413 729 HH12 ARG 94 2HH1 ARG 94 -4.274 -1.108 -12.747 730 HH21 ARG 94 2HH2 ARG 94 -3.201 -2.607 -9.854 731 HH22 ARG 94 1HH2 ARG 94 -4.049 -2.818 -11.363 732 H ILE 95 H ILE 95 1.766 1.282 -7.667 733 HA ILE 95 HA ILE 95 3.633 0.483 -9.852 734 HB ILE 95 HB ILE 95 4.415 -0.574 -7.252 735 HG12 ILE 95 2HG1 ILE 95 3.725 1.570 -6.263 736 HG13 ILE 95 3HG1 ILE 95 5.425 1.191 -6.112 737 HG21 ILE 95 1HG2 ILE 95 5.938 0.989 -9.357 738 HG22 ILE 95 2HG2 ILE 95 6.659 0.098 -7.998 739 HG23 ILE 95 3HG2 ILE 95 5.756 -0.773 -9.246 740 HD11 ILE 95 3HD1 ILE 95 4.270 3.233 -8.053 741 HD12 ILE 95 1HD1 ILE 95 5.084 3.561 -6.518 742 HD13 ILE 95 2HD1 ILE 95 5.987 2.840 -7.862 743 H VAL 96 H VAL 96 3.729 -1.631 -10.344 744 HA VAL 96 HA VAL 96 1.702 -3.411 -9.114 745 HB VAL 96 HB VAL 96 1.232 -4.147 -11.465 746 HG11 VAL 96 1HG1 VAL 96 -0.513 -2.473 -11.810 747 HG12 VAL 96 2HG1 VAL 96 -0.369 -2.876 -10.092 748 HG13 VAL 96 3HG1 VAL 96 0.316 -1.355 -10.706 749 HG21 VAL 96 3HG2 VAL 96 3.071 -2.978 -12.648 750 HG22 VAL 96 1HG2 VAL 96 1.471 -2.604 -13.306 751 HG23 VAL 96 2HG2 VAL 96 2.291 -1.422 -12.272 752 H GLY 97 H GLY 97 2.117 -5.575 -9.152 753 HA2 GLY 97 2HA GLY 97 3.512 -7.512 -9.274 754 HA3 GLY 97 3HA GLY 97 4.731 -6.587 -10.131 755 H ALA 98 H ALA 98 6.209 -7.643 -8.635 756 HA ALA 98 HA ALA 98 6.357 -6.376 -5.929 757 HB1 ALA 98 3HB ALA 98 5.736 -8.736 -5.843 758 HB2 ALA 98 1HB ALA 98 7.188 -9.179 -6.771 759 HB3 ALA 98 2HB ALA 98 7.343 -8.477 -5.148 760 H LYS 99 H LYS 99 8.259 -5.549 -5.243 761 HA LYS 99 HA LYS 99 10.698 -5.724 -6.945 762 HB2 LYS 99 2HB LYS 99 9.482 -3.118 -5.926 763 HB3 LYS 99 3HB LYS 99 11.052 -3.306 -6.706 764 HG2 LYS 99 2HG LYS 99 9.732 -4.362 -8.691 765 HG3 LYS 99 3HG LYS 99 8.299 -3.645 -7.930 766 HD2 LYS 99 2HD LYS 99 9.483 -1.401 -8.020 767 HD3 LYS 99 3HD LYS 99 10.808 -2.212 -8.889 768 HE2 LYS 99 2HE LYS 99 9.043 -2.994 -10.581 769 HE3 LYS 99 3HE LYS 99 7.924 -1.885 -9.781 770 HZ1 LYS 99 3HZ LYS 99 10.441 -1.181 -11.190 771 HZ2 LYS 99 1HZ LYS 99 9.673 -0.108 -10.243 772 HZ3 LYS 99 2HZ LYS 99 8.931 -0.705 -11.590 773 H GLY 100 H GLY 100 12.679 -5.168 -5.866 774 HA2 GLY 100 2HA GLY 100 12.768 -5.894 -3.018 775 HA3 GLY 100 3HA GLY 100 14.130 -5.635 -4.104 776 H LYS 101 H LYS 101 14.262 -4.591 -1.648 777 HA LYS 101 HA LYS 101 13.253 -2.089 -1.009 778 HB2 LYS 101 2HB LYS 101 14.771 -3.680 0.337 779 HB3 LYS 101 3HB LYS 101 16.129 -2.964 -0.499 780 HG2 LYS 101 2HG LYS 101 15.960 -1.948 1.628 781 HG3 LYS 101 3HG LYS 101 15.534 -0.722 0.437 782 HD2 LYS 101 2HD LYS 101 13.120 -1.058 0.925 783 HD3 LYS 101 3HD LYS 101 13.520 -2.347 2.067 784 HE2 LYS 101 2HE LYS 101 14.223 0.615 2.315 785 HE3 LYS 101 3HE LYS 101 12.999 -0.282 3.215 786 HZ1 LYS 101 3HZ LYS 101 15.935 -0.657 3.415 787 HZ2 LYS 101 1HZ LYS 101 14.874 -1.715 4.066 788 HZ3 LYS 101 2HZ LYS 101 14.936 -0.167 4.610 789 H ALA 102 H ALA 102 15.920 -2.648 -3.181 790 HA ALA 102 HA ALA 102 16.783 0.124 -3.263 791 HB1 ALA 102 3HB ALA 102 18.097 -0.582 -5.235 792 HB2 ALA 102 1HB ALA 102 18.276 -1.724 -3.890 793 HB3 ALA 102 2HB ALA 102 17.233 -2.134 -5.270 794 H ALA 103 H ALA 103 14.818 -1.810 -5.585 795 HA ALA 103 HA ALA 103 14.181 0.495 -7.199 796 HB1 ALA 103 3HB ALA 103 12.743 -1.081 -8.403 797 HB2 ALA 103 1HB ALA 103 14.356 -1.754 -8.125 798 HB3 ALA 103 2HB ALA 103 12.994 -2.302 -7.128 799 H LEU 104 H LEU 104 12.320 -1.235 -4.561 800 HA LEU 104 HA LEU 104 10.024 0.440 -4.899 801 HB2 LEU 104 2HB LEU 104 9.953 -1.688 -3.669 802 HB3 LEU 104 3HB LEU 104 11.020 -1.032 -2.424 803 HG LEU 104 HG LEU 104 9.325 0.585 -1.737 804 HD11 LEU 104 1HD1 LEU 104 8.201 1.093 -3.867 805 HD12 LEU 104 2HD1 LEU 104 7.036 0.551 -2.675 806 HD13 LEU 104 3HD1 LEU 104 7.577 -0.571 -3.949 807 HD21 LEU 104 3HD2 LEU 104 7.559 -0.935 -0.929 808 HD22 LEU 104 1HD2 LEU 104 9.166 -1.622 -0.719 809 HD23 LEU 104 2HD2 LEU 104 8.130 -2.197 -2.045 810 H LEU 105 H LEU 105 13.011 0.900 -2.832 811 HA LEU 105 HA LEU 105 11.965 3.426 -1.938 812 HB2 LEU 105 2HB LEU 105 13.640 2.210 -0.612 813 HB3 LEU 105 3HB LEU 105 14.856 2.573 -1.839 814 HG LEU 105 HG LEU 105 14.642 4.993 -1.406 815 HD11 LEU 105 1HD1 LEU 105 12.562 4.240 0.701 816 HD12 LEU 105 2HD1 LEU 105 12.275 5.237 -0.747 817 HD13 LEU 105 3HD1 LEU 105 13.321 5.841 0.528 818 HD21 LEU 105 3HD2 LEU 105 16.181 3.657 -0.034 819 HD22 LEU 105 1HD2 LEU 105 14.902 3.430 1.181 820 HD23 LEU 105 2HD2 LEU 105 15.545 5.056 0.845 821 H ARG 106 H ARG 106 13.784 2.663 -4.983 822 HA ARG 106 HA ARG 106 14.106 5.512 -5.570 823 HB2 ARG 106 2HB ARG 106 13.776 3.132 -7.448 824 HB3 ARG 106 3HB ARG 106 14.054 4.781 -7.986 825 HG2 ARG 106 2HG ARG 106 15.961 3.031 -6.409 826 HG3 ARG 106 3HG ARG 106 16.150 3.633 -8.047 827 HD2 ARG 106 2HD ARG 106 16.208 5.255 -5.478 828 HD3 ARG 106 3HD ARG 106 17.590 4.841 -6.493 829 HE ARG 106 HE ARG 106 16.141 6.164 -8.306 830 HH11 ARG 106 1HH2 ARG 106 16.812 7.146 -5.009 831 HH12 ARG 106 2HH2 ARG 106 16.747 8.840 -5.408 832 HH21 ARG 106 1HH1 ARG 106 16.024 8.336 -8.730 833 HH22 ARG 106 2HH1 ARG 106 16.291 9.489 -7.458 834 H GLU 107 H GLU 107 11.488 3.265 -6.386 835 HA GLU 107 HA GLU 107 9.778 5.186 -7.598 836 HB2 GLU 107 2HB GLU 107 9.457 2.427 -6.439 837 HB3 GLU 107 3HB GLU 107 8.004 3.399 -6.598 838 HG2 GLU 107 2HG GLU 107 8.165 2.154 -8.582 839 HG3 GLU 107 3HG GLU 107 8.521 3.827 -8.986 840 H LEU 108 H LEU 108 10.215 4.467 -4.158 841 HA LEU 108 HA LEU 108 8.172 6.475 -3.412 842 HB2 LEU 108 2HB LEU 108 10.053 4.768 -1.752 843 HB3 LEU 108 3HB LEU 108 8.810 5.835 -1.098 844 HG LEU 108 HG LEU 108 8.244 3.472 -2.942 845 HD11 LEU 108 1HD1 LEU 108 7.925 3.753 0.062 846 HD12 LEU 108 2HD1 LEU 108 9.175 2.793 -0.758 847 HD13 LEU 108 3HD1 LEU 108 7.477 2.330 -0.912 848 HD21 LEU 108 3HD2 LEU 108 6.348 5.192 -1.295 849 HD22 LEU 108 1HD2 LEU 108 5.916 3.747 -2.242 850 HD23 LEU 108 2HD2 LEU 108 6.480 5.186 -3.070 851 H SER 109 H SER 109 11.704 6.358 -3.677 852 HA SER 109 HA SER 109 12.373 8.684 -2.247 853 HB2 SER 109 2HB SER 109 13.662 7.557 -4.736 854 HB3 SER 109 3HB SER 109 14.241 9.014 -3.920 855 HG SER 109 HG SER 109 13.956 6.443 -2.818 856 H ASP 110 H ASP 110 11.008 8.201 -5.489 857 HA ASP 110 HA ASP 110 10.992 10.791 -6.581 858 HB2 ASP 110 2HB ASP 110 10.184 8.605 -7.569 859 HB3 ASP 110 3HB ASP 110 8.717 8.775 -6.602 860 H VAL 111 H VAL 111 9.236 9.737 -3.735 861 HA VAL 111 HA VAL 111 7.931 12.412 -3.434 862 HB VAL 111 HB VAL 111 7.054 9.630 -2.577 863 HG11 VAL 111 1HG1 VAL 111 5.068 10.708 -1.539 864 HG12 VAL 111 2HG1 VAL 111 6.563 11.056 -0.675 865 HG13 VAL 111 3HG1 VAL 111 5.851 12.297 -1.737 866 HG21 VAL 111 3HG2 VAL 111 6.415 10.190 -4.848 867 HG22 VAL 111 1HG2 VAL 111 4.972 10.355 -3.845 868 HG23 VAL 111 2HG2 VAL 111 5.860 11.801 -4.355 869 H VAL 112 H VAL 112 10.017 9.999 -1.975 870 HA VAL 112 HA VAL 112 10.227 11.466 0.600 871 HB VAL 112 HB VAL 112 11.092 8.647 -0.139 872 HG11 VAL 112 1HG1 VAL 112 12.455 9.433 1.700 873 HG12 VAL 112 2HG1 VAL 112 11.053 10.192 2.490 874 HG13 VAL 112 3HG1 VAL 112 11.182 8.427 2.391 875 HG21 VAL 112 3HG2 VAL 112 9.187 7.970 1.306 876 HG22 VAL 112 1HG2 VAL 112 8.671 9.669 1.411 877 HG23 VAL 112 2HG2 VAL 112 8.641 8.817 -0.138 878 HA PRO 113 HA PRO 113 14.274 12.715 -1.204 879 HB2 PRO 113 2HB PRO 113 14.605 15.057 0.159 880 HB3 PRO 113 3HB PRO 113 13.532 14.915 -1.267 881 HG2 PRO 113 2HG PRO 113 12.751 14.746 1.667 882 HG3 PRO 113 3HG PRO 113 12.019 15.771 0.389 883 HD2 PRO 113 2HD PRO 113 10.942 13.383 1.083 884 HD3 PRO 113 3HD PRO 113 10.968 13.918 -0.626 885 H ASN 114 H ASN 114 13.195 11.817 1.910 886 HA ASN 114 HA ASN 114 15.545 12.273 3.452 887 HB2 ASN 114 2HB ASN 114 13.096 11.999 4.170 888 HB3 ASN 114 3HB ASN 114 13.342 10.260 4.034 889 HD21 ASN 114 1HD2 ASN 114 12.572 10.624 6.340 890 HD22 ASN 114 2HD2 ASN 114 13.840 10.848 7.548 891 H LEU 115 H LEU 115 15.488 10.188 0.914 892 HA LEU 115 HA LEU 115 17.220 8.069 1.910 893 HB2 LEU 115 2HB LEU 115 16.044 7.856 -0.176 894 HB3 LEU 115 3HB LEU 115 16.760 9.318 -0.836 895 HG LEU 115 HG LEU 115 18.618 7.081 0.003 896 HD11 LEU 115 1HD1 LEU 115 17.043 7.088 -2.595 897 HD12 LEU 115 2HD1 LEU 115 16.867 5.921 -1.272 898 HD13 LEU 115 3HD1 LEU 115 18.382 5.989 -2.181 899 HD21 LEU 115 3HD2 LEU 115 18.606 8.984 -2.397 900 HD22 LEU 115 1HD2 LEU 115 19.894 7.835 -1.978 901 HD23 LEU 115 2HD2 LEU 115 19.573 9.215 -0.931 902 H ASN 116 H ASN 116 17.655 11.467 1.042 903 HA ASN 116 HA ASN 116 20.612 11.325 1.184 904 HB2 ASN 116 2HB ASN 116 19.544 12.546 -0.667 905 HB3 ASN 116 3HB ASN 116 18.688 13.580 0.474 906 HD21 ASN 116 2HD2 ASN 116 20.199 14.743 2.070 907 HD22 ASN 116 1HD2 ASN 116 21.621 15.499 1.326 Start of MODEL 15 1 H1 MET 1 1H MET 1 18.126 -4.505 4.178 2 H2 MET 1 2H MET 1 16.550 -4.849 4.487 3 HA MET 1 HA MET 1 17.097 -6.095 6.427 4 HB2 MET 1 2HB MET 1 19.331 -6.852 5.609 5 HB3 MET 1 3HB MET 1 19.972 -5.227 5.888 6 HG2 MET 1 2HG MET 1 19.494 -5.445 8.299 7 HG3 MET 1 3HG MET 1 18.757 -7.030 8.024 8 HE1 MET 1 3HE MET 1 20.974 -6.432 10.221 9 HE2 MET 1 1HE MET 1 20.244 -8.033 9.960 10 HE3 MET 1 2HE MET 1 22.011 -7.865 10.040 11 H THR 2 H THR 2 16.844 -5.025 8.388 12 HA THR 2 HA THR 2 17.671 -2.185 8.612 13 HB THR 2 HB THR 2 15.313 -2.107 7.927 14 HG1 THR 2 HG1 THR 2 15.928 -0.516 9.240 15 HG21 THR 2 3HG2 THR 2 13.518 -2.874 9.354 16 HG22 THR 2 1HG2 THR 2 14.661 -3.568 10.521 17 HG23 THR 2 2HG2 THR 2 14.507 -4.269 8.898 18 H ASP 3 H ASP 3 18.128 -1.493 10.688 19 HA ASP 3 HA ASP 3 18.250 -3.558 12.835 20 HB2 ASP 3 2HB ASP 3 19.937 -2.281 13.870 21 HB3 ASP 3 3HB ASP 3 20.371 -2.443 12.176 22 H SER 4 H SER 4 16.262 -0.992 11.839 23 HA SER 4 HA SER 4 15.548 0.009 14.500 24 HB2 SER 4 2HB SER 4 14.389 0.475 11.739 25 HB3 SER 4 3HB SER 4 13.798 1.262 13.218 26 HG SER 4 HG SER 4 15.361 2.539 12.103 27 H GLU 5 H GLU 5 14.380 -2.480 12.400 28 HA GLU 5 HA GLU 5 12.956 -4.184 12.579 29 HB2 GLU 5 2HB GLU 5 14.467 -4.478 14.505 30 HB3 GLU 5 3HB GLU 5 13.269 -3.723 15.552 31 HG2 GLU 5 2HG GLU 5 11.718 -5.526 15.119 32 HG3 GLU 5 3HG GLU 5 12.843 -6.240 13.962 33 H LYS 6 H LYS 6 11.584 -1.458 14.330 34 HA LYS 6 HA LYS 6 8.970 -2.800 14.620 35 HB2 LYS 6 2HB LYS 6 10.308 -0.334 15.707 36 HB3 LYS 6 3HB LYS 6 8.551 -0.469 15.776 37 HG2 LYS 6 2HG LYS 6 9.483 -1.187 17.862 38 HG3 LYS 6 3HG LYS 6 8.694 -2.545 17.062 39 HD2 LYS 6 2HD LYS 6 10.853 -3.469 16.387 40 HD3 LYS 6 3HD LYS 6 11.715 -2.074 17.050 41 HE2 LYS 6 2HE LYS 6 9.993 -4.016 18.664 42 HE3 LYS 6 3HE LYS 6 11.738 -4.176 18.456 43 HZ1 LYS 6 3HZ LYS 6 11.235 -3.051 20.526 44 HZ2 LYS 6 1HZ LYS 6 10.399 -1.874 19.772 45 HZ3 LYS 6 2HZ LYS 6 12.014 -2.011 19.541 46 H SER 7 H SER 7 7.733 -2.865 12.891 47 HA SER 7 HA SER 7 7.613 -0.983 10.791 48 HB2 SER 7 2HB SER 7 5.353 -2.867 11.488 49 HB3 SER 7 3HB SER 7 5.918 -2.339 9.893 50 HG SER 7 HG SER 7 6.529 -4.511 10.494 51 H ALA 8 H ALA 8 6.470 0.909 10.483 52 HA ALA 8 HA ALA 8 4.229 1.558 12.308 53 HB1 ALA 8 3HB ALA 8 5.580 3.300 10.223 54 HB2 ALA 8 1HB ALA 8 4.380 3.798 11.425 55 HB3 ALA 8 2HB ALA 8 5.982 3.253 11.956 56 H THR 9 H THR 9 3.049 -0.315 11.362 57 HA THR 9 HA THR 9 1.853 0.205 8.689 58 HB THR 9 HB THR 9 1.137 -2.227 8.844 59 HG1 THR 9 HG1 THR 9 1.548 -2.597 11.033 60 HG21 THR 9 3HG2 THR 9 4.117 -1.690 8.804 61 HG22 THR 9 1HG2 THR 9 3.016 -1.437 7.428 62 HG23 THR 9 2HG2 THR 9 3.271 -3.069 8.077 63 H ILE 10 H ILE 10 -0.308 0.050 8.278 64 HA ILE 10 HA ILE 10 -2.211 -0.509 10.496 65 HB ILE 10 HB ILE 10 -3.744 1.211 9.730 66 HG12 ILE 10 2HG1 ILE 10 -1.532 2.199 7.879 67 HG13 ILE 10 3HG1 ILE 10 -3.013 1.379 7.371 68 HG21 ILE 10 1HG2 ILE 10 -1.051 2.469 10.382 69 HG22 ILE 10 2HG2 ILE 10 -2.667 3.103 10.759 70 HG23 ILE 10 3HG2 ILE 10 -2.090 1.644 11.565 71 HD11 ILE 10 3HD1 ILE 10 -3.290 3.735 7.014 72 HD12 ILE 10 1HD1 ILE 10 -4.363 3.241 8.338 73 HD13 ILE 10 2HD1 ILE 10 -2.846 4.113 8.682 74 H LYS 11 H LYS 11 -4.306 -1.286 9.796 75 HA LYS 11 HA LYS 11 -4.359 -2.465 7.029 76 HB2 LYS 11 2HB LYS 11 -5.601 -3.540 9.589 77 HB3 LYS 11 3HB LYS 11 -5.910 -4.169 7.964 78 HG2 LYS 11 2HG LYS 11 -3.512 -4.716 7.692 79 HG3 LYS 11 3HG LYS 11 -3.177 -4.098 9.321 80 HD2 LYS 11 2HD LYS 11 -4.710 -5.798 10.283 81 HD3 LYS 11 3HD LYS 11 -5.025 -6.432 8.650 82 HE2 LYS 11 2HE LYS 11 -2.612 -6.951 8.385 83 HE3 LYS 11 3HE LYS 11 -2.286 -6.299 9.996 84 HZ1 LYS 11 3HZ LYS 11 -2.507 -8.717 10.052 85 HZ2 LYS 11 1HZ LYS 11 -4.016 -8.652 9.435 86 HZ3 LYS 11 2HZ LYS 11 -3.711 -8.047 10.922 87 H VAL 12 H VAL 12 -6.126 -2.128 5.778 88 HA VAL 12 HA VAL 12 -8.312 -0.378 6.838 89 HB VAL 12 HB VAL 12 -8.230 1.013 4.862 90 HG11 VAL 12 1HG1 VAL 12 -6.264 2.315 5.409 91 HG12 VAL 12 2HG1 VAL 12 -6.937 1.640 6.901 92 HG13 VAL 12 3HG1 VAL 12 -5.482 0.925 6.177 93 HG21 VAL 12 3HG2 VAL 12 -7.207 -0.539 3.218 94 HG22 VAL 12 1HG2 VAL 12 -6.354 1.008 3.296 95 HG23 VAL 12 2HG2 VAL 12 -5.656 -0.421 4.078 96 H THR 13 H THR 13 -10.269 -0.340 5.661 97 HA THR 13 HA THR 13 -10.785 -2.404 3.604 98 HB THR 13 HB THR 13 -12.858 -3.105 4.754 99 HG1 THR 13 HG1 THR 13 -13.056 -2.630 6.978 100 HG21 THR 13 3HG2 THR 13 -10.477 -3.600 6.583 101 HG22 THR 13 1HG2 THR 13 -10.743 -4.443 5.044 102 HG23 THR 13 2HG2 THR 13 -11.915 -4.621 6.362 103 H ASP 14 H ASP 14 -12.838 -2.015 2.473 104 HA ASP 14 HA ASP 14 -13.064 0.608 1.602 105 HB2 ASP 14 2HB ASP 14 -13.833 -1.540 0.481 106 HB3 ASP 14 3HB ASP 14 -15.285 -1.465 1.470 107 H ALA 15 H ALA 15 -14.800 -0.779 4.323 108 HA ALA 15 HA ALA 15 -16.859 1.234 4.537 109 HB1 ALA 15 3HB ALA 15 -17.059 -1.048 5.460 110 HB2 ALA 15 1HB ALA 15 -15.721 -0.715 6.588 111 HB3 ALA 15 2HB ALA 15 -17.250 0.177 6.729 112 H SER 16 H SER 16 -13.495 1.252 5.433 113 HA SER 16 HA SER 16 -13.841 3.767 7.031 114 HB2 SER 16 2HB SER 16 -11.966 1.456 7.639 115 HB3 SER 16 3HB SER 16 -12.076 2.986 8.533 116 HG SER 16 HG SER 16 -13.281 1.301 9.530 117 H PHE 17 H PHE 17 -12.397 2.502 4.270 118 HA PHE 17 HA PHE 17 -9.778 3.349 4.254 119 HB2 PHE 17 2HB PHE 17 -11.105 2.032 2.516 120 HB3 PHE 17 3HB PHE 17 -11.683 3.561 1.886 121 HD1 PHE 17 HD1 PHE 17 -9.964 5.207 0.888 122 HD2 PHE 17 HD2 PHE 17 -8.975 1.158 1.997 123 HE1 PHE 17 HE1 PHE 17 -7.948 5.296 -0.562 124 HE2 PHE 17 HE2 PHE 17 -7.009 1.231 0.492 125 HZ PHE 17 HZ PHE 17 -6.486 3.300 -0.784 126 H ALA 18 H ALA 18 -12.639 5.399 3.522 127 HA ALA 18 HA ALA 18 -11.092 7.683 2.795 128 HB1 ALA 18 3HB ALA 18 -13.960 7.501 3.802 129 HB2 ALA 18 1HB ALA 18 -13.227 8.898 2.981 130 HB3 ALA 18 2HB ALA 18 -13.426 7.367 2.108 131 H THR 19 H THR 19 -12.229 6.534 5.954 132 HA THR 19 HA THR 19 -11.407 8.955 7.393 133 HB THR 19 HB THR 19 -12.043 6.211 8.548 134 HG1 THR 19 HG1 THR 19 -13.848 8.306 7.911 135 HG21 THR 19 3HG2 THR 19 -11.211 7.779 10.223 136 HG22 THR 19 1HG2 THR 19 -12.947 7.551 10.450 137 HG23 THR 19 2HG2 THR 19 -12.343 9.032 9.670 138 H ASP 20 H ASP 20 -9.936 5.828 6.614 139 HA ASP 20 HA ASP 20 -7.705 6.294 8.495 140 HB2 ASP 20 2HB ASP 20 -8.328 4.029 6.562 141 HB3 ASP 20 3HB ASP 20 -6.921 4.076 7.622 142 H VAL 21 H VAL 21 -8.091 6.075 4.950 143 HA VAL 21 HA VAL 21 -5.236 6.800 4.553 144 HB VAL 21 HB VAL 21 -7.285 5.968 2.467 145 HG11 VAL 21 1HG1 VAL 21 -4.247 5.941 2.387 146 HG12 VAL 21 2HG1 VAL 21 -5.362 5.490 1.084 147 HG13 VAL 21 3HG1 VAL 21 -5.267 7.172 1.606 148 HG21 VAL 21 3HG2 VAL 21 -5.264 4.257 3.978 149 HG22 VAL 21 1HG2 VAL 21 -7.039 4.104 4.022 150 HG23 VAL 21 2HG2 VAL 21 -6.170 3.743 2.537 151 H LEU 22 H LEU 22 -8.444 7.818 3.240 152 HA LEU 22 HA LEU 22 -7.199 10.065 1.953 153 HB2 LEU 22 2HB LEU 22 -10.173 9.620 2.277 154 HB3 LEU 22 3HB LEU 22 -9.369 10.626 1.087 155 HG LEU 22 HG LEU 22 -9.236 7.588 1.229 156 HD11 LEU 22 1HD1 LEU 22 -10.539 9.450 -0.792 157 HD12 LEU 22 2HD1 LEU 22 -11.393 8.491 0.437 158 HD13 LEU 22 3HD1 LEU 22 -10.508 7.675 -0.862 159 HD21 LEU 22 3HD2 LEU 22 -8.001 9.489 -0.809 160 HD22 LEU 22 1HD2 LEU 22 -8.087 7.725 -0.966 161 HD23 LEU 22 2HD2 LEU 22 -7.111 8.438 0.319 162 H SER 23 H SER 23 -8.577 9.817 5.118 163 HA SER 23 HA SER 23 -8.993 12.681 5.462 164 HB2 SER 23 2HB SER 23 -8.883 10.431 7.451 165 HB3 SER 23 3HB SER 23 -9.218 12.121 7.867 166 HG SER 23 HG SER 23 -10.683 10.575 5.971 167 H SER 24 H SER 24 -6.133 10.816 5.303 168 HA SER 24 HA SER 24 -4.625 12.287 7.336 169 HB2 SER 24 2HB SER 24 -4.219 9.883 6.798 170 HB3 SER 24 3HB SER 24 -3.540 10.399 5.236 171 HG SER 24 HG SER 24 -1.967 10.191 6.952 172 H ASN 25 H ASN 25 -3.513 14.095 7.076 173 HA ASN 25 HA ASN 25 -3.096 15.343 4.439 174 HB2 ASN 25 2HB ASN 25 -3.788 16.676 6.383 175 HB3 ASN 25 3HB ASN 25 -2.335 16.190 7.263 176 HD21 ASN 25 1HD2 ASN 25 -3.352 17.814 4.188 177 HD22 ASN 25 2HD2 ASN 25 -1.993 18.940 4.217 178 H LYS 26 H LYS 26 -1.345 13.227 6.540 179 HA LYS 26 HA LYS 26 1.350 13.799 5.546 180 HB2 LYS 26 2HB LYS 26 0.883 12.932 7.834 181 HB3 LYS 26 3HB LYS 26 0.189 11.470 7.129 182 HG2 LYS 26 2HG LYS 26 2.436 10.953 6.118 183 HG3 LYS 26 3HG LYS 26 3.101 12.360 6.975 184 HD2 LYS 26 2HD LYS 26 2.470 11.316 9.136 185 HD3 LYS 26 3HD LYS 26 1.691 9.982 8.260 186 HE2 LYS 26 2HE LYS 26 3.975 9.570 7.149 187 HE3 LYS 26 3HE LYS 26 4.659 10.663 8.360 188 HZ1 LYS 26 3HZ LYS 26 3.160 8.151 8.908 189 HZ2 LYS 26 1HZ LYS 26 3.732 9.156 10.076 190 HZ3 LYS 26 2HZ LYS 26 4.781 8.362 9.105 191 HA PRO 27 HA PRO 27 1.013 11.183 1.879 192 HB2 PRO 27 2HB PRO 27 3.816 10.337 2.531 193 HB3 PRO 27 3HB PRO 27 3.153 10.908 0.972 194 HG2 PRO 27 2HG PRO 27 4.682 12.541 2.511 195 HG3 PRO 27 3HG PRO 27 3.211 13.188 1.720 196 HD2 PRO 27 2HD PRO 27 3.552 12.283 4.574 197 HD3 PRO 27 3HD PRO 27 2.741 13.745 3.935 198 H VAL 28 H VAL 28 0.197 9.129 1.647 199 HA VAL 28 HA VAL 28 0.871 7.036 3.655 200 HB VAL 28 HB VAL 28 -1.076 8.140 4.513 201 HG11 VAL 28 1HG1 VAL 28 -2.489 7.510 1.897 202 HG12 VAL 28 2HG1 VAL 28 -3.228 8.188 3.361 203 HG13 VAL 28 3HG1 VAL 28 -2.030 9.130 2.471 204 HG21 VAL 28 3HG2 VAL 28 -0.916 5.689 4.782 205 HG22 VAL 28 1HG2 VAL 28 -2.591 6.253 4.725 206 HG23 VAL 28 2HG2 VAL 28 -1.881 5.463 3.305 207 H LEU 29 H LEU 29 1.071 5.053 2.897 208 HA LEU 29 HA LEU 29 0.673 4.625 -0.038 209 HB2 LEU 29 2HB LEU 29 2.966 5.171 0.629 210 HB3 LEU 29 3HB LEU 29 2.991 3.868 1.793 211 HG LEU 29 HG LEU 29 4.203 3.596 -0.431 212 HD11 LEU 29 1HD1 LEU 29 3.777 1.699 1.106 213 HD12 LEU 29 2HD1 LEU 29 3.826 1.241 -0.602 214 HD13 LEU 29 3HD1 LEU 29 2.268 1.351 0.229 215 HD21 LEU 29 3HD2 LEU 29 3.074 2.889 -2.379 216 HD22 LEU 29 1HD2 LEU 29 2.245 4.350 -1.836 217 HD23 LEU 29 2HD2 LEU 29 1.509 2.766 -1.547 218 H VAL 30 H VAL 30 -0.788 3.125 -0.401 219 HA VAL 30 HA VAL 30 -1.331 1.034 1.652 220 HB VAL 30 HB VAL 30 -3.182 1.819 -0.603 221 HG11 VAL 30 1HG1 VAL 30 -4.878 0.875 0.927 222 HG12 VAL 30 2HG1 VAL 30 -3.628 -0.313 0.566 223 HG13 VAL 30 3HG1 VAL 30 -3.626 0.533 2.130 224 HG21 VAL 30 3HG2 VAL 30 -3.181 3.102 2.153 225 HG22 VAL 30 1HG2 VAL 30 -2.853 3.912 0.607 226 HG23 VAL 30 2HG2 VAL 30 -4.449 3.237 0.925 227 H ASP 31 H ASP 31 -0.781 -1.017 1.202 228 HA ASP 31 HA ASP 31 -0.344 -1.831 -1.639 229 HB2 ASP 31 2HB ASP 31 1.603 -2.104 -0.337 230 HB3 ASP 31 3HB ASP 31 0.742 -2.932 0.954 231 H PHE 32 H PHE 32 -1.769 -2.920 -2.613 232 HA PHE 32 HA PHE 32 -3.963 -4.375 -1.268 233 HB2 PHE 32 2HB PHE 32 -3.475 -3.535 -4.148 234 HB3 PHE 32 3HB PHE 32 -4.817 -4.520 -3.618 235 HD1 PHE 32 HD1 PHE 32 -3.308 -1.220 -2.364 236 HD2 PHE 32 HD2 PHE 32 -6.801 -3.357 -3.734 237 HE1 PHE 32 HE1 PHE 32 -4.687 0.778 -1.985 238 HE2 PHE 32 HE2 PHE 32 -8.136 -1.281 -3.473 239 HZ PHE 32 HZ PHE 32 -7.065 0.802 -2.626 240 H TRP 33 H TRP 33 -3.608 -6.470 -0.837 241 HA TRP 33 HA TRP 33 -1.824 -8.126 -2.559 242 HB2 TRP 33 2HB TRP 33 -0.357 -8.593 -0.789 243 HB3 TRP 33 3HB TRP 33 -0.587 -6.862 -0.702 244 HD1 TRP 33 HD1 TRP 33 -2.561 -6.127 1.205 245 HE1 TRP 33 HE1 TRP 33 -3.053 -7.115 3.529 246 HE3 TRP 33 HE3 TRP 33 -0.006 -10.544 0.766 247 HZ2 TRP 33 HZ2 TRP 33 -2.324 -9.457 5.040 248 HZ3 TRP 33 HZ3 TRP 33 0.118 -12.113 2.682 249 HH2 TRP 33 HH2 TRP 33 -1.036 -11.584 4.819 250 H ALA 34 H ALA 34 -1.681 -10.450 -1.671 251 HA ALA 34 HA ALA 34 -3.861 -11.274 0.106 252 HB1 ALA 34 3HB ALA 34 -3.552 -12.524 -2.662 253 HB2 ALA 34 1HB ALA 34 -4.622 -13.097 -1.366 254 HB3 ALA 34 2HB ALA 34 -4.920 -11.529 -2.113 255 H THR 35 H THR 35 -3.522 -13.271 1.128 256 HA THR 35 HA THR 35 -0.823 -14.129 1.591 257 HB THR 35 HB THR 35 -1.957 -16.063 2.759 258 HG1 THR 35 HG1 THR 35 -4.209 -15.940 2.926 259 HG21 THR 35 3HG2 THR 35 -3.044 -13.300 3.466 260 HG22 THR 35 1HG2 THR 35 -1.476 -13.968 3.973 261 HG23 THR 35 2HG2 THR 35 -2.978 -14.716 4.538 262 H TRP 36 H TRP 36 -3.258 -15.207 -0.720 263 HA TRP 36 HA TRP 36 -1.881 -17.662 -1.417 264 HB2 TRP 36 2HB TRP 36 -3.607 -17.782 -3.208 265 HB3 TRP 36 3HB TRP 36 -4.191 -17.700 -1.571 266 HD1 TRP 36 HD1 TRP 36 -6.126 -16.184 -1.143 267 HE1 TRP 36 HE1 TRP 36 -7.489 -14.517 -2.466 268 HE3 TRP 36 HE3 TRP 36 -2.886 -15.414 -5.074 269 HZ2 TRP 36 HZ2 TRP 36 -7.152 -12.853 -4.791 270 HZ3 TRP 36 HZ3 TRP 36 -3.385 -13.612 -6.723 271 HH2 TRP 36 HH2 TRP 36 -5.540 -12.404 -6.647 272 H CYS 37 H CYS 37 -0.923 -14.558 -2.139 273 HA CYS 37 HA CYS 37 -0.151 -15.193 -4.945 274 HB2 CYS 37 2HB CYS 37 -1.645 -13.303 -4.527 275 HB3 CYS 37 3HB CYS 37 -0.436 -12.557 -3.489 276 HG CYS 37 HG CYS 37 -0.277 -13.366 -6.716 277 H GLY 38 H GLY 38 1.836 -15.666 -5.454 278 HA2 GLY 38 2HA GLY 38 4.078 -15.809 -3.772 279 HA3 GLY 38 3HA GLY 38 4.121 -15.798 -5.536 280 HA PRO 39 HA PRO 39 5.927 -11.776 -5.511 281 HB2 PRO 39 2HB PRO 39 4.366 -9.995 -6.956 282 HB3 PRO 39 3HB PRO 39 5.446 -11.240 -7.639 283 HG2 PRO 39 2HG PRO 39 2.465 -11.409 -7.184 284 HG3 PRO 39 3HG PRO 39 3.399 -11.910 -8.626 285 HD2 PRO 39 2HD PRO 39 2.612 -13.720 -6.782 286 HD3 PRO 39 3HD PRO 39 4.222 -13.846 -7.537 287 H CYS 40 H CYS 40 2.547 -11.681 -4.315 288 HA CYS 40 HA CYS 40 2.875 -9.276 -2.723 289 HB2 CYS 40 2HB CYS 40 1.123 -11.730 -2.273 290 HB3 CYS 40 3HB CYS 40 1.090 -10.267 -1.296 291 HG CYS 40 HG CYS 40 0.565 -10.530 -4.563 292 H LYS 41 H LYS 41 3.443 -12.755 -2.013 293 HA LYS 41 HA LYS 41 4.512 -12.395 0.608 294 HB2 LYS 41 2HB LYS 41 3.792 -14.549 -0.859 295 HB3 LYS 41 3HB LYS 41 5.499 -14.587 -1.230 296 HG2 LYS 41 2HG LYS 41 5.090 -16.062 0.609 297 HG3 LYS 41 3HG LYS 41 6.025 -14.700 1.206 298 HD2 LYS 41 2HD LYS 41 4.228 -15.429 2.773 299 HD3 LYS 41 3HD LYS 41 4.093 -13.746 2.307 300 HE2 LYS 41 2HE LYS 41 1.889 -14.703 2.344 301 HE3 LYS 41 3HE LYS 41 2.304 -14.315 0.676 302 HZ1 LYS 41 3HZ LYS 41 1.282 -16.500 0.835 303 HZ2 LYS 41 1HZ LYS 41 2.414 -17.029 1.895 304 HZ3 LYS 41 2HZ LYS 41 2.829 -16.695 0.348 305 H MET 42 H MET 42 6.099 -12.188 -2.545 306 HA MET 42 HA MET 42 8.793 -11.929 -1.525 307 HB2 MET 42 2HB MET 42 7.577 -11.137 -4.193 308 HB3 MET 42 3HB MET 42 9.301 -11.110 -3.838 309 HG2 MET 42 2HG MET 42 9.381 -13.488 -3.507 310 HG3 MET 42 3HG MET 42 7.628 -13.628 -3.579 311 HE1 MET 42 3HE MET 42 8.579 -15.542 -6.796 312 HE2 MET 42 1HE MET 42 9.393 -15.566 -5.216 313 HE3 MET 42 2HE MET 42 7.615 -15.537 -5.302 314 H VAL 43 H VAL 43 6.343 -9.423 -2.400 315 HA VAL 43 HA VAL 43 8.294 -7.296 -1.810 316 HB VAL 43 HB VAL 43 6.655 -7.244 -3.709 317 HG11 VAL 43 1HG1 VAL 43 4.675 -6.337 -1.580 318 HG12 VAL 43 2HG1 VAL 43 4.441 -6.324 -3.333 319 HG13 VAL 43 3HG1 VAL 43 4.598 -7.864 -2.475 320 HG21 VAL 43 3HG2 VAL 43 6.669 -4.808 -1.894 321 HG22 VAL 43 1HG2 VAL 43 7.983 -5.287 -2.989 322 HG23 VAL 43 2HG2 VAL 43 6.399 -4.840 -3.645 323 H ALA 44 H ALA 44 5.783 -8.902 0.021 324 HA ALA 44 HA ALA 44 5.191 -7.042 1.992 325 HB1 ALA 44 3HB ALA 44 4.825 -9.011 3.458 326 HB2 ALA 44 1HB ALA 44 4.131 -9.220 1.841 327 HB3 ALA 44 2HB ALA 44 5.646 -10.041 2.266 328 HA PRO 45 HA PRO 45 9.083 -7.879 4.635 329 HB2 PRO 45 2HB PRO 45 11.391 -8.833 3.468 330 HB3 PRO 45 3HB PRO 45 10.152 -9.866 4.243 331 HG2 PRO 45 2HG PRO 45 10.436 -9.202 1.294 332 HG3 PRO 45 3HG PRO 45 10.236 -10.818 2.050 333 HD2 PRO 45 2HD PRO 45 8.119 -9.531 1.035 334 HD3 PRO 45 3HD PRO 45 7.966 -10.381 2.595 335 H VAL 46 H VAL 46 9.402 -6.791 1.256 336 HA VAL 46 HA VAL 46 11.382 -4.723 1.872 337 HB VAL 46 HB VAL 46 9.565 -5.063 -0.544 338 HG11 VAL 46 1HG1 VAL 46 10.077 -2.721 -0.380 339 HG12 VAL 46 2HG1 VAL 46 11.751 -3.066 0.080 340 HG13 VAL 46 3HG1 VAL 46 11.181 -3.420 -1.577 341 HG21 VAL 46 3HG2 VAL 46 11.299 -6.823 -0.312 342 HG22 VAL 46 1HG2 VAL 46 11.633 -5.749 -1.670 343 HG23 VAL 46 2HG2 VAL 46 12.548 -5.567 -0.153 344 H LEU 47 H LEU 47 7.820 -4.726 1.362 345 HA LEU 47 HA LEU 47 7.404 -1.978 2.041 346 HB2 LEU 47 2HB LEU 47 5.723 -4.490 1.955 347 HB3 LEU 47 3HB LEU 47 5.042 -3.056 2.707 348 HG LEU 47 HG LEU 47 6.186 -2.982 -0.113 349 HD11 LEU 47 1HD1 LEU 47 3.337 -3.443 0.815 350 HD12 LEU 47 2HD1 LEU 47 4.375 -4.628 -0.004 351 HD13 LEU 47 3HD1 LEU 47 3.856 -3.178 -0.872 352 HD21 LEU 47 3HD2 LEU 47 4.270 -1.172 1.442 353 HD22 LEU 47 1HD2 LEU 47 4.691 -0.984 -0.265 354 HD23 LEU 47 2HD2 LEU 47 5.933 -0.764 0.966 355 H GLU 48 H GLU 48 7.587 -4.863 4.145 356 HA GLU 48 HA GLU 48 6.856 -3.590 6.588 357 HB2 GLU 48 2HB GLU 48 7.093 -6.057 6.121 358 HB3 GLU 48 3HB GLU 48 8.851 -5.856 6.166 359 HG2 GLU 48 2HG GLU 48 8.660 -5.048 8.516 360 HG3 GLU 48 3HG GLU 48 6.899 -5.232 8.410 361 H GLU 49 H GLU 49 10.053 -3.811 4.943 362 HA GLU 49 HA GLU 49 11.416 -2.274 7.005 363 HB2 GLU 49 2HB GLU 49 12.197 -2.994 4.159 364 HB3 GLU 49 3HB GLU 49 13.177 -2.003 5.256 365 HG2 GLU 49 2HG GLU 49 13.163 -3.833 6.930 366 HG3 GLU 49 3HG GLU 49 12.279 -4.859 5.802 367 H ILE 50 H ILE 50 9.800 -1.322 3.908 368 HA ILE 50 HA ILE 50 10.509 1.473 4.152 369 HB ILE 50 HB ILE 50 8.021 0.175 2.952 370 HG12 ILE 50 2HG1 ILE 50 10.041 -0.560 1.780 371 HG13 ILE 50 3HG1 ILE 50 9.033 0.450 0.774 372 HG21 ILE 50 1HG2 ILE 50 7.712 2.268 1.682 373 HG22 ILE 50 2HG2 ILE 50 7.512 2.514 3.406 374 HG23 ILE 50 3HG2 ILE 50 9.012 3.035 2.624 375 HD11 ILE 50 3HD1 ILE 50 11.604 1.335 2.161 376 HD12 ILE 50 1HD1 ILE 50 11.409 0.921 0.449 377 HD13 ILE 50 2HD1 ILE 50 10.589 2.347 1.101 378 H ALA 51 H ALA 51 7.722 -0.378 5.480 379 HA ALA 51 HA ALA 51 6.467 1.798 6.817 380 HB1 ALA 51 3HB ALA 51 5.519 -0.517 6.360 381 HB2 ALA 51 1HB ALA 51 6.538 -1.136 7.666 382 HB3 ALA 51 2HB ALA 51 5.288 0.077 8.020 383 H THR 52 H THR 52 9.074 -0.366 7.844 384 HA THR 52 HA THR 52 9.267 0.664 10.560 385 HB THR 52 HB THR 52 11.279 -0.845 8.826 386 HG1 THR 52 HG1 THR 52 9.516 -2.085 9.209 387 HG21 THR 52 3HG2 THR 52 12.283 -1.549 11.000 388 HG22 THR 52 1HG2 THR 52 11.308 -0.302 11.815 389 HG23 THR 52 2HG2 THR 52 12.532 0.155 10.609 390 H GLU 53 H GLU 53 11.179 1.295 7.592 391 HA GLU 53 HA GLU 53 12.933 3.118 9.054 392 HB2 GLU 53 2HB GLU 53 12.981 2.104 6.185 393 HB3 GLU 53 3HB GLU 53 14.221 3.080 6.957 394 HG2 GLU 53 2HG GLU 53 14.299 1.246 8.788 395 HG3 GLU 53 3HG GLU 53 13.424 0.231 7.662 396 H ARG 54 H ARG 54 10.442 3.503 6.533 397 HA ARG 54 HA ARG 54 11.039 6.426 6.440 398 HB2 ARG 54 2HB ARG 54 9.167 4.945 4.577 399 HB3 ARG 54 3HB ARG 54 9.767 6.585 4.439 400 HG2 ARG 54 2HG ARG 54 11.120 4.018 3.756 401 HG3 ARG 54 3HG ARG 54 10.972 5.501 2.829 402 HD2 ARG 54 2HD ARG 54 12.911 4.795 5.020 403 HD3 ARG 54 3HD ARG 54 13.259 5.274 3.360 404 HE ARG 54 HE ARG 54 12.099 7.553 4.433 405 HH11 ARG 54 1HH1 ARG 54 14.846 5.588 5.427 406 HH12 ARG 54 2HH1 ARG 54 15.498 6.880 6.408 407 HH21 ARG 54 1HH2 ARG 54 12.920 9.055 5.677 408 HH22 ARG 54 2HH2 ARG 54 14.433 8.829 6.557 409 H ALA 55 H ALA 55 9.561 4.923 8.642 410 HA ALA 55 HA ALA 55 6.878 5.618 8.778 411 HB1 ALA 55 3HB ALA 55 8.117 4.239 10.419 412 HB2 ALA 55 1HB ALA 55 8.966 5.686 11.005 413 HB3 ALA 55 2HB ALA 55 7.210 5.533 11.223 414 H THR 56 H THR 56 9.616 7.859 9.182 415 HA THR 56 HA THR 56 8.062 10.099 10.156 416 HB THR 56 HB THR 56 10.713 10.196 8.677 417 HG1 THR 56 HG1 THR 56 10.256 9.732 11.439 418 HG21 THR 56 3HG2 THR 56 11.183 12.076 10.249 419 HG22 THR 56 1HG2 THR 56 9.518 11.955 10.868 420 HG23 THR 56 2HG2 THR 56 9.821 12.417 9.178 421 H ASP 57 H ASP 57 8.779 8.879 6.915 422 HA ASP 57 HA ASP 57 7.928 11.417 5.606 423 HB2 ASP 57 2HB ASP 57 9.074 8.888 4.378 424 HB3 ASP 57 3HB ASP 57 8.868 10.450 3.592 425 H LEU 58 H LEU 58 7.012 8.036 5.939 426 HA LEU 58 HA LEU 58 4.484 8.399 4.390 427 HB2 LEU 58 2HB LEU 58 6.296 5.951 4.533 428 HB3 LEU 58 3HB LEU 58 4.776 6.055 3.660 429 HG LEU 58 HG LEU 58 7.335 7.560 2.967 430 HD11 LEU 58 1HD1 LEU 58 7.433 5.141 2.522 431 HD12 LEU 58 2HD1 LEU 58 7.365 6.059 1.012 432 HD13 LEU 58 3HD1 LEU 58 5.911 5.231 1.608 433 HD21 LEU 58 3HD2 LEU 58 4.632 7.464 1.554 434 HD22 LEU 58 1HD2 LEU 58 6.134 8.101 0.840 435 HD23 LEU 58 2HD2 LEU 58 5.440 8.889 2.254 436 H THR 59 H THR 59 2.695 7.272 5.180 437 HA THR 59 HA THR 59 3.118 5.416 7.516 438 HB THR 59 HB THR 59 0.552 6.791 6.649 439 HG1 THR 59 HG1 THR 59 0.728 7.604 8.776 440 HG21 THR 59 3HG2 THR 59 -0.430 5.679 8.659 441 HG22 THR 59 1HG2 THR 59 1.063 4.730 8.850 442 HG23 THR 59 2HG2 THR 59 0.025 4.507 7.420 443 H VAL 60 H VAL 60 2.921 3.273 7.040 444 HA VAL 60 HA VAL 60 2.141 2.586 4.244 445 HB VAL 60 HB VAL 60 3.900 1.080 6.201 446 HG11 VAL 60 1HG1 VAL 60 2.617 -0.569 4.883 447 HG12 VAL 60 2HG1 VAL 60 2.960 0.327 3.386 448 HG13 VAL 60 3HG1 VAL 60 4.269 -0.481 4.271 449 HG21 VAL 60 3HG2 VAL 60 5.589 1.470 4.418 450 HG22 VAL 60 1HG2 VAL 60 4.414 2.447 3.518 451 HG23 VAL 60 2HG2 VAL 60 4.998 2.989 5.106 452 H ALA 61 H ALA 61 0.460 1.387 3.779 453 HA ALA 61 HA ALA 61 -1.191 0.248 5.979 454 HB1 ALA 61 3HB ALA 61 -2.018 2.450 5.272 455 HB2 ALA 61 1HB ALA 61 -2.061 1.903 3.594 456 HB3 ALA 61 2HB ALA 61 -3.157 1.173 4.789 457 H LYS 62 H LYS 62 -2.601 -1.451 5.433 458 HA LYS 62 HA LYS 62 -1.962 -2.995 2.935 459 HB2 LYS 62 2HB LYS 62 -2.195 -3.837 5.842 460 HB3 LYS 62 3HB LYS 62 -2.395 -5.005 4.545 461 HG2 LYS 62 2HG LYS 62 0.102 -3.263 4.754 462 HG3 LYS 62 3HG LYS 62 -0.072 -4.797 5.612 463 HD2 LYS 62 2HD LYS 62 -0.469 -5.985 3.506 464 HD3 LYS 62 3HD LYS 62 -0.287 -4.481 2.582 465 HE2 LYS 62 2HE LYS 62 2.041 -4.287 3.302 466 HE3 LYS 62 3HE LYS 62 1.855 -5.669 4.397 467 HZ1 LYS 62 3HZ LYS 62 1.417 -7.068 2.440 468 HZ2 LYS 62 1HZ LYS 62 2.882 -6.347 2.298 469 HZ3 LYS 62 2HZ LYS 62 1.608 -5.793 1.430 470 H LEU 63 H LEU 63 -3.543 -3.714 1.755 471 HA LEU 63 HA LEU 63 -6.285 -4.059 2.897 472 HB2 LEU 63 2HB LEU 63 -6.235 -2.094 1.460 473 HB3 LEU 63 3HB LEU 63 -5.492 -2.992 0.156 474 HG LEU 63 HG LEU 63 -7.883 -2.443 -0.113 475 HD11 LEU 63 1HD1 LEU 63 -7.584 -5.444 -0.162 476 HD12 LEU 63 2HD1 LEU 63 -6.812 -4.359 -1.333 477 HD13 LEU 63 3HD1 LEU 63 -8.581 -4.420 -1.188 478 HD21 LEU 63 3HD2 LEU 63 -9.618 -3.807 1.004 479 HD22 LEU 63 1HD2 LEU 63 -8.729 -2.781 2.131 480 HD23 LEU 63 2HD2 LEU 63 -8.392 -4.529 2.049 481 H ASP 64 H ASP 64 -6.703 -6.163 3.003 482 HA ASP 64 HA ASP 64 -5.319 -8.147 1.324 483 HB2 ASP 64 2HB ASP 64 -5.868 -8.446 3.805 484 HB3 ASP 64 3HB ASP 64 -7.537 -8.483 3.339 485 H VAL 65 H VAL 65 -6.067 -8.459 -0.753 486 HA VAL 65 HA VAL 65 -8.714 -7.581 -1.537 487 HB VAL 65 HB VAL 65 -8.245 -8.240 -3.742 488 HG11 VAL 65 1HG1 VAL 65 -7.075 -6.223 -2.816 489 HG12 VAL 65 2HG1 VAL 65 -5.620 -7.206 -2.610 490 HG13 VAL 65 3HG1 VAL 65 -6.296 -6.940 -4.233 491 HG21 VAL 65 3HG2 VAL 65 -5.700 -9.624 -2.866 492 HG22 VAL 65 1HG2 VAL 65 -7.183 -10.474 -3.361 493 HG23 VAL 65 2HG2 VAL 65 -6.331 -9.446 -4.514 494 H ASP 66 H ASP 66 -7.733 -10.527 -0.113 495 HA ASP 66 HA ASP 66 -9.885 -12.115 -1.384 496 HB2 ASP 66 2HB ASP 66 -7.526 -12.993 -0.829 497 HB3 ASP 66 3HB ASP 66 -8.051 -13.007 0.855 498 H THR 67 H THR 67 -9.037 -10.657 1.787 499 HA THR 67 HA THR 67 -11.683 -11.459 2.868 500 HB THR 67 HB THR 67 -10.877 -10.680 5.031 501 HG1 THR 67 HG1 THR 67 -8.781 -10.085 5.289 502 HG21 THR 67 3HG2 THR 67 -10.439 -13.028 4.294 503 HG22 THR 67 1HG2 THR 67 -9.210 -12.411 5.410 504 HG23 THR 67 2HG2 THR 67 -8.856 -12.511 3.671 505 H ASN 68 H ASN 68 -10.235 -8.430 1.654 506 HA ASN 68 HA ASN 68 -13.026 -7.462 1.793 507 HB2 ASN 68 2HB ASN 68 -11.626 -6.448 3.674 508 HB3 ASN 68 3HB ASN 68 -10.748 -5.567 2.424 509 HD21 ASN 68 1HD2 ASN 68 -14.068 -6.256 3.644 510 HD22 ASN 68 2HD2 ASN 68 -14.710 -4.688 3.181 511 HA PRO 69 HA PRO 69 -11.261 -7.299 -2.503 512 HB2 PRO 69 2HB PRO 69 -13.535 -8.181 -3.801 513 HB3 PRO 69 3HB PRO 69 -12.306 -9.271 -3.111 514 HG2 PRO 69 2HG PRO 69 -14.906 -8.360 -1.846 515 HG3 PRO 69 3HG PRO 69 -14.255 -10.028 -1.969 516 HD2 PRO 69 2HD PRO 69 -13.959 -8.588 0.283 517 HD3 PRO 69 3HD PRO 69 -12.612 -9.604 -0.311 518 H GLU 70 H GLU 70 -14.038 -5.835 -0.943 519 HA GLU 70 HA GLU 70 -15.062 -4.358 -3.134 520 HB2 GLU 70 2HB GLU 70 -15.152 -3.705 -0.162 521 HB3 GLU 70 3HB GLU 70 -16.143 -2.938 -1.401 522 HG2 GLU 70 2HG GLU 70 -16.203 -5.857 -0.545 523 HG3 GLU 70 3HG GLU 70 -17.437 -4.638 -0.249 524 H THR 71 H THR 71 -12.431 -3.376 -0.848 525 HA THR 71 HA THR 71 -12.127 -0.739 -1.939 526 HB THR 71 HB THR 71 -9.877 -2.431 -0.898 527 HG1 THR 71 HG1 THR 71 -11.721 -0.891 0.586 528 HG21 THR 71 3HG2 THR 71 -10.448 0.561 -0.647 529 HG22 THR 71 1HG2 THR 71 -9.290 -0.156 -1.780 530 HG23 THR 71 2HG2 THR 71 -9.016 -0.310 -0.044 531 H ALA 72 H ALA 72 -10.656 -3.876 -2.860 532 HA ALA 72 HA ALA 72 -8.916 -2.839 -4.900 533 HB1 ALA 72 3HB ALA 72 -8.611 -5.151 -5.469 534 HB2 ALA 72 1HB ALA 72 -8.751 -5.059 -3.711 535 HB3 ALA 72 2HB ALA 72 -10.129 -5.625 -4.677 536 H ARG 73 H ARG 73 -12.272 -3.985 -5.005 537 HA ARG 73 HA ARG 73 -12.566 -3.591 -7.836 538 HB2 ARG 73 2HB ARG 73 -14.012 -5.061 -6.418 539 HB3 ARG 73 3HB ARG 73 -14.646 -3.635 -5.593 540 HG2 ARG 73 2HG ARG 73 -15.579 -2.837 -7.803 541 HG3 ARG 73 3HG ARG 73 -14.982 -4.327 -8.544 542 HD2 ARG 73 2HD ARG 73 -17.330 -4.625 -8.050 543 HD3 ARG 73 3HD ARG 73 -16.399 -5.651 -6.967 544 HE ARG 73 HE ARG 73 -17.202 -4.451 -5.134 545 HH11 ARG 73 1HH2 ARG 73 -17.967 -2.488 -7.958 546 HH12 ARG 73 2HH2 ARG 73 -18.903 -1.378 -6.995 547 HH21 ARG 73 1HH1 ARG 73 -18.324 -3.103 -4.054 548 HH22 ARG 73 2HH1 ARG 73 -19.121 -1.707 -4.788 549 H ASN 74 H ASN 74 -13.409 -1.513 -5.043 550 HA ASN 74 HA ASN 74 -14.585 0.626 -6.467 551 HB2 ASN 74 2HB ASN 74 -14.765 0.115 -4.029 552 HB3 ASN 74 3HB ASN 74 -13.096 0.631 -3.802 553 HD21 ASN 74 1HD2 ASN 74 -14.461 1.906 -2.148 554 HD22 ASN 74 2HD2 ASN 74 -14.985 3.500 -2.709 555 H PHE 75 H PHE 75 -11.142 0.070 -5.671 556 HA PHE 75 HA PHE 75 -10.369 2.578 -7.089 557 HB2 PHE 75 2HB PHE 75 -8.877 0.741 -5.203 558 HB3 PHE 75 3HB PHE 75 -8.083 1.993 -6.141 559 HD1 PHE 75 HD1 PHE 75 -8.436 4.372 -5.738 560 HD2 PHE 75 HD2 PHE 75 -10.409 1.394 -3.327 561 HE1 PHE 75 HE1 PHE 75 -9.042 6.114 -4.073 562 HE2 PHE 75 HE2 PHE 75 -11.004 3.131 -1.662 563 HZ PHE 75 HZ PHE 75 -10.331 5.495 -2.038 564 H GLN 76 H GLN 76 -11.213 -0.258 -8.183 565 HA GLN 76 HA GLN 76 -10.887 -1.565 -9.907 566 HB2 GLN 76 2HB GLN 76 -11.089 0.651 -10.993 567 HB3 GLN 76 3HB GLN 76 -9.330 0.748 -11.112 568 HG2 GLN 76 2HG GLN 76 -9.270 -1.145 -12.636 569 HG3 GLN 76 3HG GLN 76 -10.985 -1.486 -12.358 570 HE21 GLN 76 1HE2 GLN 76 -8.714 0.920 -13.793 571 HE22 GLN 76 2HE2 GLN 76 -9.916 1.587 -14.891 572 H VAL 77 H VAL 77 -8.072 -0.791 -8.212 573 HA VAL 77 HA VAL 77 -6.204 -2.474 -9.645 574 HB VAL 77 HB VAL 77 -4.746 -2.096 -7.659 575 HG11 VAL 77 1HG1 VAL 77 -4.350 0.275 -8.173 576 HG12 VAL 77 2HG1 VAL 77 -4.656 -0.662 -9.648 577 HG13 VAL 77 3HG1 VAL 77 -5.928 0.382 -8.977 578 HG21 VAL 77 3HG2 VAL 77 -6.600 -1.683 -5.971 579 HG22 VAL 77 1HG2 VAL 77 -5.315 -0.468 -5.980 580 HG23 VAL 77 2HG2 VAL 77 -6.874 -0.112 -6.741 581 H VAL 78 H VAL 78 -8.059 -4.146 -9.627 582 HA VAL 78 HA VAL 78 -8.108 -5.995 -7.382 583 HB VAL 78 HB VAL 78 -9.321 -7.500 -8.864 584 HG11 VAL 78 1HG1 VAL 78 -11.324 -6.139 -9.122 585 HG12 VAL 78 2HG1 VAL 78 -10.515 -5.753 -7.597 586 HG13 VAL 78 3HG1 VAL 78 -10.374 -4.646 -8.984 587 HG21 VAL 78 3HG2 VAL 78 -9.020 -5.356 -11.018 588 HG22 VAL 78 1HG2 VAL 78 -8.263 -6.965 -11.042 589 HG23 VAL 78 2HG2 VAL 78 -10.021 -6.815 -11.106 590 H SER 79 H SER 79 -5.892 -5.565 -9.996 591 HA SER 79 HA SER 79 -4.670 -8.240 -9.783 592 HB2 SER 79 2HB SER 79 -4.682 -6.923 -11.916 593 HB3 SER 79 3HB SER 79 -3.584 -5.756 -11.148 594 HG SER 79 HG SER 79 -2.495 -7.426 -12.356 595 H ILE 80 H ILE 80 -2.574 -8.628 -8.890 596 HA ILE 80 HA ILE 80 -1.653 -6.698 -6.850 597 HB ILE 80 HB ILE 80 -1.796 -8.462 -5.091 598 HG12 ILE 80 2HG1 ILE 80 -3.527 -10.061 -6.983 599 HG13 ILE 80 3HG1 ILE 80 -1.860 -10.444 -6.533 600 HG21 ILE 80 1HG2 ILE 80 -4.058 -8.058 -4.508 601 HG22 ILE 80 2HG2 ILE 80 -3.541 -6.642 -5.427 602 HG23 ILE 80 3HG2 ILE 80 -4.554 -7.875 -6.202 603 HD11 ILE 80 3HD1 ILE 80 -4.303 -10.456 -4.767 604 HD12 ILE 80 1HD1 ILE 80 -3.105 -11.724 -5.043 605 HD13 ILE 80 2HD1 ILE 80 -2.671 -10.328 -4.071 606 HA PRO 81 HA PRO 81 -0.254 -6.934 -4.851 607 HB2 PRO 81 2HB PRO 81 2.225 -5.909 -4.392 608 HB3 PRO 81 3HB PRO 81 1.751 -7.543 -3.859 609 HG2 PRO 81 2HG PRO 81 3.274 -6.760 -6.361 610 HG3 PRO 81 3HG PRO 81 3.675 -8.049 -5.189 611 HD2 PRO 81 2HD PRO 81 2.368 -8.591 -7.521 612 HD3 PRO 81 3HD PRO 81 1.959 -9.457 -6.011 613 H THR 82 H THR 82 -0.832 -4.789 -4.863 614 HA THR 82 HA THR 82 0.435 -2.974 -6.859 615 HB THR 82 HB THR 82 -2.569 -3.139 -6.461 616 HG1 THR 82 HG1 THR 82 -2.351 -4.445 -8.070 617 HG21 THR 82 3HG2 THR 82 -1.964 -0.806 -6.789 618 HG22 THR 82 1HG2 THR 82 -2.523 -1.431 -8.348 619 HG23 THR 82 2HG2 THR 82 -0.789 -1.232 -8.056 620 H LEU 83 H LEU 83 1.246 -1.319 -5.932 621 HA LEU 83 HA LEU 83 0.381 -0.426 -3.235 622 HB2 LEU 83 2HB LEU 83 2.843 0.267 -4.865 623 HB3 LEU 83 3HB LEU 83 2.467 0.847 -3.262 624 HG LEU 83 HG LEU 83 2.729 -1.412 -2.321 625 HD11 LEU 83 1HD1 LEU 83 3.588 -2.208 -5.145 626 HD12 LEU 83 2HD1 LEU 83 2.325 -2.968 -4.144 627 HD13 LEU 83 3HD1 LEU 83 4.006 -3.127 -3.681 628 HD21 LEU 83 3HD2 LEU 83 4.621 0.234 -2.505 629 HD22 LEU 83 1HD2 LEU 83 5.100 -0.541 -4.026 630 HD23 LEU 83 2HD2 LEU 83 5.157 -1.453 -2.507 631 H ILE 84 H ILE 84 -0.671 1.494 -3.026 632 HA ILE 84 HA ILE 84 -0.461 3.519 -5.198 633 HB ILE 84 HB ILE 84 -2.615 2.482 -5.519 634 HG12 ILE 84 2HG1 ILE 84 -2.970 5.217 -4.208 635 HG13 ILE 84 3HG1 ILE 84 -2.250 4.969 -5.800 636 HG21 ILE 84 1HG2 ILE 84 -4.388 2.471 -3.860 637 HG22 ILE 84 2HG2 ILE 84 -2.992 1.562 -3.287 638 HG23 ILE 84 3HG2 ILE 84 -3.301 3.188 -2.653 639 HD11 ILE 84 3HD1 ILE 84 -5.106 4.302 -5.001 640 HD12 ILE 84 1HD1 ILE 84 -4.552 5.604 -6.065 641 HD13 ILE 84 2HD1 ILE 84 -4.374 3.912 -6.575 642 H LEU 85 H LEU 85 0.114 5.453 -4.574 643 HA LEU 85 HA LEU 85 0.244 6.056 -1.667 644 HB2 LEU 85 2HB LEU 85 2.330 5.980 -3.215 645 HB3 LEU 85 3HB LEU 85 1.762 7.493 -3.854 646 HG LEU 85 HG LEU 85 2.023 7.233 -0.855 647 HD11 LEU 85 1HD1 LEU 85 4.110 6.277 -1.686 648 HD12 LEU 85 2HD1 LEU 85 4.401 7.875 -0.993 649 HD13 LEU 85 3HD1 LEU 85 4.356 7.670 -2.761 650 HD21 LEU 85 3HD2 LEU 85 1.158 9.360 -1.869 651 HD22 LEU 85 1HD2 LEU 85 2.674 9.521 -2.762 652 HD23 LEU 85 2HD2 LEU 85 2.661 9.581 -0.984 653 H PHE 86 H PHE 86 -0.869 7.709 -0.819 654 HA PHE 86 HA PHE 86 -2.164 9.708 -2.623 655 HB2 PHE 86 2HB PHE 86 -3.179 8.783 0.080 656 HB3 PHE 86 3HB PHE 86 -3.930 9.966 -0.966 657 HD1 PHE 86 HD2 PHE 86 -3.174 6.348 -0.539 658 HD2 PHE 86 HD1 PHE 86 -5.402 9.293 -2.760 659 HE1 PHE 86 HE2 PHE 86 -4.611 4.562 -1.477 660 HE2 PHE 86 HE1 PHE 86 -6.806 7.497 -3.738 661 HZ PHE 86 HZ PHE 86 -6.426 5.126 -3.081 662 H LYS 87 H LYS 87 -2.108 11.839 -2.000 663 HA LYS 87 HA LYS 87 -0.827 12.569 0.587 664 HB2 LYS 87 2HB LYS 87 -0.322 13.934 -2.077 665 HB3 LYS 87 3HB LYS 87 -0.050 14.712 -0.524 666 HG2 LYS 87 2HG LYS 87 1.574 13.057 0.151 667 HG3 LYS 87 3HG LYS 87 1.326 12.108 -1.320 668 HD2 LYS 87 2HD LYS 87 2.210 13.895 -2.715 669 HD3 LYS 87 3HD LYS 87 2.251 15.016 -1.335 670 HE2 LYS 87 2HE LYS 87 3.934 13.520 -0.239 671 HE3 LYS 87 3HE LYS 87 3.928 12.505 -1.690 672 HZ1 LYS 87 3HZ LYS 87 5.744 14.163 -1.719 673 HZ2 LYS 87 1HZ LYS 87 4.678 15.389 -1.620 674 HZ3 LYS 87 2HZ LYS 87 4.711 14.452 -2.956 675 H ASP 88 H ASP 88 -2.126 13.862 1.781 676 HA ASP 88 HA ASP 88 -4.052 14.833 2.472 677 HB2 ASP 88 2HB ASP 88 -2.634 16.637 1.411 678 HB3 ASP 88 3HB ASP 88 -3.723 16.583 0.025 679 H GLY 89 H GLY 89 -4.655 12.498 1.030 680 HA2 GLY 89 2HA GLY 89 -6.525 11.339 0.434 681 HA3 GLY 89 3HA GLY 89 -7.496 12.797 0.594 682 H GLN 90 H GLN 90 -4.897 13.106 -1.706 683 HA GLN 90 HA GLN 90 -6.609 12.093 -3.931 684 HB2 GLN 90 2HB GLN 90 -5.525 13.705 -5.435 685 HB3 GLN 90 3HB GLN 90 -6.562 14.444 -4.212 686 HG2 GLN 90 2HG GLN 90 -4.624 15.157 -2.916 687 HG3 GLN 90 3HG GLN 90 -3.522 14.298 -4.005 688 HE21 GLN 90 1HE2 GLN 90 -2.734 16.754 -3.757 689 HE22 GLN 90 2HE2 GLN 90 -3.278 17.784 -5.076 690 HA PRO 91 HA PRO 91 -3.310 9.267 -4.620 691 HB2 PRO 91 2HB PRO 91 -3.705 8.443 -7.186 692 HB3 PRO 91 3HB PRO 91 -4.832 8.057 -5.849 693 HG2 PRO 91 2HG PRO 91 -5.054 10.317 -7.868 694 HG3 PRO 91 3HG PRO 91 -6.311 9.124 -7.402 695 HD2 PRO 91 2HD PRO 91 -6.209 11.604 -6.289 696 HD3 PRO 91 3HD PRO 91 -6.666 10.173 -5.317 697 H VAL 92 H VAL 92 -1.278 9.064 -5.409 698 HA VAL 92 HA VAL 92 -0.095 11.374 -6.928 699 HB VAL 92 HB VAL 92 0.793 10.085 -4.319 700 HG11 VAL 92 1HG1 VAL 92 2.169 12.268 -5.946 701 HG12 VAL 92 2HG1 VAL 92 2.598 11.791 -4.288 702 HG13 VAL 92 3HG1 VAL 92 2.812 10.645 -5.608 703 HG21 VAL 92 3HG2 VAL 92 -1.020 11.716 -4.039 704 HG22 VAL 92 1HG2 VAL 92 0.497 12.381 -3.453 705 HG23 VAL 92 2HG2 VAL 92 -0.140 12.905 -5.022 706 H LYS 93 H LYS 93 0.410 7.949 -5.975 707 HA LYS 93 HA LYS 93 2.005 7.470 -8.431 708 HB2 LYS 93 2HB LYS 93 3.664 8.220 -6.767 709 HB3 LYS 93 3HB LYS 93 3.051 7.069 -5.594 710 HG2 LYS 93 2HG LYS 93 5.115 6.264 -6.430 711 HG3 LYS 93 3HG LYS 93 3.846 5.182 -6.985 712 HD2 LYS 93 2HD LYS 93 3.933 6.281 -9.247 713 HD3 LYS 93 3HD LYS 93 5.209 7.363 -8.639 714 HE2 LYS 93 2HE LYS 93 6.605 5.374 -8.092 715 HE3 LYS 93 3HE LYS 93 5.346 4.311 -8.732 716 HZ1 LYS 93 3HZ LYS 93 7.139 4.750 -10.319 717 HZ2 LYS 93 1HZ LYS 93 6.791 6.348 -10.339 718 HZ3 LYS 93 2HZ LYS 93 5.698 5.266 -10.915 719 H ARG 94 H ARG 94 1.959 5.344 -9.116 720 HA ARG 94 HA ARG 94 0.847 3.254 -7.331 721 HB2 ARG 94 2HB ARG 94 -0.002 3.721 -10.209 722 HB3 ARG 94 3HB ARG 94 -0.225 2.182 -9.368 723 HG2 ARG 94 2HG ARG 94 -1.530 3.315 -7.594 724 HG3 ARG 94 3HG ARG 94 -1.412 4.847 -8.472 725 HD2 ARG 94 2HD ARG 94 -2.688 2.289 -9.538 726 HD3 ARG 94 3HD ARG 94 -3.570 3.643 -8.813 727 HE ARG 94 HE ARG 94 -2.010 4.718 -10.906 728 HH11 ARG 94 1HH1 ARG 94 -4.763 2.571 -10.625 729 HH12 ARG 94 2HH1 ARG 94 -5.368 2.993 -12.203 730 HH21 ARG 94 1HH2 ARG 94 -2.832 5.204 -12.913 731 HH22 ARG 94 2HH2 ARG 94 -4.300 4.447 -13.457 732 H ILE 95 H ILE 95 1.706 1.269 -7.475 733 HA ILE 95 HA ILE 95 3.849 0.665 -9.454 734 HB ILE 95 HB ILE 95 4.180 0.001 -6.511 735 HG12 ILE 95 2HG1 ILE 95 5.702 2.254 -7.860 736 HG13 ILE 95 3HG1 ILE 95 4.274 2.557 -6.877 737 HG21 ILE 95 1HG2 ILE 95 6.514 -0.482 -7.174 738 HG22 ILE 95 2HG2 ILE 95 5.382 -1.438 -8.111 739 HG23 ILE 95 3HG2 ILE 95 6.142 -0.004 -8.841 740 HD11 ILE 95 3HD1 ILE 95 6.773 1.235 -5.789 741 HD12 ILE 95 1HD1 ILE 95 6.262 2.915 -5.559 742 HD13 ILE 95 2HD1 ILE 95 5.278 1.605 -4.901 743 H VAL 96 H VAL 96 3.672 -1.509 -10.167 744 HA VAL 96 HA VAL 96 2.033 -3.379 -8.553 745 HB VAL 96 HB VAL 96 0.401 -2.619 -10.038 746 HG11 VAL 96 1HG1 VAL 96 1.758 -1.565 -11.805 747 HG12 VAL 96 2HG1 VAL 96 2.308 -3.163 -12.360 748 HG13 VAL 96 3HG1 VAL 96 0.601 -2.695 -12.509 749 HG21 VAL 96 3HG2 VAL 96 -0.282 -4.570 -11.261 750 HG22 VAL 96 1HG2 VAL 96 1.356 -5.248 -11.223 751 HG23 VAL 96 2HG2 VAL 96 0.417 -5.063 -9.721 752 H GLY 97 H GLY 97 2.563 -5.464 -8.597 753 HA2 GLY 97 2HA GLY 97 3.856 -7.379 -9.036 754 HA3 GLY 97 3HA GLY 97 4.831 -6.498 -10.208 755 H ALA 98 H ALA 98 5.997 -8.191 -8.335 756 HA ALA 98 HA ALA 98 6.848 -6.735 -5.968 757 HB1 ALA 98 3HB ALA 98 7.805 -9.382 -7.129 758 HB2 ALA 98 1HB ALA 98 8.175 -8.750 -5.509 759 HB3 ALA 98 2HB ALA 98 6.506 -9.157 -5.938 760 H LYS 99 H LYS 99 8.635 -5.611 -5.600 761 HA LYS 99 HA LYS 99 10.995 -5.771 -7.395 762 HB2 LYS 99 2HB LYS 99 9.812 -3.127 -6.429 763 HB3 LYS 99 3HB LYS 99 11.303 -3.348 -7.339 764 HG2 LYS 99 2HG LYS 99 9.953 -4.383 -9.202 765 HG3 LYS 99 3HG LYS 99 8.481 -3.941 -8.317 766 HD2 LYS 99 2HD LYS 99 9.122 -1.540 -8.460 767 HD3 LYS 99 3HD LYS 99 10.587 -2.004 -9.361 768 HE2 LYS 99 2HE LYS 99 9.062 -3.190 -11.023 769 HE3 LYS 99 3HE LYS 99 7.681 -2.464 -10.193 770 HZ1 LYS 99 3HZ LYS 99 9.875 -0.936 -11.503 771 HZ2 LYS 99 1HZ LYS 99 8.562 -0.256 -10.795 772 HZ3 LYS 99 2HZ LYS 99 8.389 -1.166 -12.132 773 H GLY 100 H GLY 100 13.019 -5.275 -6.307 774 HA2 GLY 100 2HA GLY 100 13.038 -6.126 -3.511 775 HA3 GLY 100 3HA GLY 100 14.430 -5.783 -4.540 776 H LYS 101 H LYS 101 14.373 -4.889 -1.964 777 HA LYS 101 HA LYS 101 13.323 -2.487 -1.194 778 HB2 LYS 101 2HB LYS 101 14.888 -4.028 0.078 779 HB3 LYS 101 3HB LYS 101 16.231 -3.298 -0.770 780 HG2 LYS 101 2HG LYS 101 16.108 -2.352 1.401 781 HG3 LYS 101 3HG LYS 101 15.710 -1.090 0.239 782 HD2 LYS 101 2HD LYS 101 13.293 -1.372 0.737 783 HD3 LYS 101 3HD LYS 101 13.670 -2.679 1.871 784 HE2 LYS 101 2HE LYS 101 14.469 0.262 2.112 785 HE3 LYS 101 3HE LYS 101 13.207 -0.577 3.011 786 HZ1 LYS 101 3HZ LYS 101 16.122 -1.109 3.218 787 HZ2 LYS 101 1HZ LYS 101 15.001 -2.058 3.929 788 HZ3 LYS 101 2HZ LYS 101 15.168 -0.486 4.388 789 H ALA 102 H ALA 102 16.054 -2.744 -3.364 790 HA ALA 102 HA ALA 102 16.704 0.096 -3.301 791 HB1 ALA 102 3HB ALA 102 18.202 -0.451 -5.181 792 HB2 ALA 102 1HB ALA 102 18.375 -1.617 -3.856 793 HB3 ALA 102 2HB ALA 102 17.467 -2.062 -5.320 794 H ALA 103 H ALA 103 14.939 -1.930 -5.683 795 HA ALA 103 HA ALA 103 14.269 0.331 -7.381 796 HB1 ALA 103 3HB ALA 103 14.657 -1.853 -8.338 797 HB2 ALA 103 1HB ALA 103 13.393 -2.581 -7.331 798 HB3 ALA 103 2HB ALA 103 12.960 -1.412 -8.605 799 H LEU 104 H LEU 104 12.498 -1.520 -4.841 800 HA LEU 104 HA LEU 104 9.987 -0.191 -5.233 801 HB2 LEU 104 2HB LEU 104 10.653 -2.403 -3.987 802 HB3 LEU 104 3HB LEU 104 11.010 -1.356 -2.628 803 HG LEU 104 HG LEU 104 8.856 -2.398 -2.383 804 HD11 LEU 104 1HD1 LEU 104 7.431 -0.560 -1.917 805 HD12 LEU 104 2HD1 LEU 104 8.237 0.477 -3.103 806 HD13 LEU 104 3HD1 LEU 104 9.088 -0.012 -1.617 807 HD21 LEU 104 3HD2 LEU 104 8.341 -2.833 -4.738 808 HD22 LEU 104 1HD2 LEU 104 7.969 -1.107 -4.987 809 HD23 LEU 104 2HD2 LEU 104 6.990 -2.095 -3.888 810 H LEU 105 H LEU 105 12.764 0.483 -2.944 811 HA LEU 105 HA LEU 105 11.538 2.931 -2.058 812 HB2 LEU 105 2HB LEU 105 13.261 1.783 -0.753 813 HB3 LEU 105 3HB LEU 105 14.474 2.212 -1.941 814 HG LEU 105 HG LEU 105 14.268 3.521 0.244 815 HD11 LEU 105 1HD1 LEU 105 14.523 5.129 -2.289 816 HD12 LEU 105 2HD1 LEU 105 15.784 4.183 -1.487 817 HD13 LEU 105 3HD1 LEU 105 15.079 5.586 -0.671 818 HD21 LEU 105 3HD2 LEU 105 12.144 5.191 -1.107 819 HD22 LEU 105 1HD2 LEU 105 12.894 5.421 0.473 820 HD23 LEU 105 2HD2 LEU 105 11.850 4.021 0.194 821 H ARG 106 H ARG 106 13.633 2.307 -5.000 822 HA ARG 106 HA ARG 106 13.835 5.105 -5.561 823 HB2 ARG 106 2HB ARG 106 14.086 2.600 -7.169 824 HB3 ARG 106 3HB ARG 106 13.748 4.058 -8.090 825 HG2 ARG 106 2HG ARG 106 15.975 3.940 -6.023 826 HG3 ARG 106 3HG ARG 106 16.223 3.495 -7.719 827 HD2 ARG 106 2HD ARG 106 15.686 5.674 -8.516 828 HD3 ARG 106 3HD ARG 106 14.997 6.171 -6.983 829 HE ARG 106 HE ARG 106 17.915 5.578 -7.291 830 HH11 ARG 106 1HH1 ARG 106 15.438 7.791 -6.061 831 HH12 ARG 106 2HH1 ARG 106 16.636 8.976 -5.632 832 HH21 ARG 106 2HH2 ARG 106 19.345 7.100 -6.578 833 HH22 ARG 106 1HH2 ARG 106 18.773 8.564 -5.839 834 H GLU 107 H GLU 107 11.338 2.829 -6.589 835 HA GLU 107 HA GLU 107 9.629 4.620 -7.970 836 HB2 GLU 107 2HB GLU 107 9.072 2.082 -6.426 837 HB3 GLU 107 3HB GLU 107 7.863 2.925 -7.396 838 HG2 GLU 107 2HG GLU 107 10.484 2.233 -8.728 839 HG3 GLU 107 3HG GLU 107 9.343 0.952 -8.364 840 H LEU 108 H LEU 108 9.827 3.920 -4.456 841 HA LEU 108 HA LEU 108 7.772 5.953 -3.836 842 HB2 LEU 108 2HB LEU 108 9.636 4.356 -2.047 843 HB3 LEU 108 3HB LEU 108 8.349 5.423 -1.488 844 HG LEU 108 HG LEU 108 7.945 2.917 -3.171 845 HD11 LEU 108 1HD1 LEU 108 7.350 3.482 -0.238 846 HD12 LEU 108 2HD1 LEU 108 8.665 2.451 -0.848 847 HD13 LEU 108 3HD1 LEU 108 6.979 1.973 -1.100 848 HD21 LEU 108 3HD2 LEU 108 5.913 4.762 -1.853 849 HD22 LEU 108 1HD2 LEU 108 5.543 3.191 -2.605 850 HD23 LEU 108 2HD2 LEU 108 6.132 4.520 -3.602 851 H SER 109 H SER 109 11.253 5.933 -4.146 852 HA SER 109 HA SER 109 11.882 8.162 -2.586 853 HB2 SER 109 2HB SER 109 13.952 8.383 -3.569 854 HB3 SER 109 3HB SER 109 13.630 6.668 -3.523 855 HG SER 109 HG SER 109 12.871 7.047 -5.817 856 H ASP 110 H ASP 110 10.642 7.824 -5.873 857 HA ASP 110 HA ASP 110 10.619 10.459 -6.878 858 HB2 ASP 110 2HB ASP 110 9.690 8.386 -7.947 859 HB3 ASP 110 3HB ASP 110 8.300 8.489 -6.864 860 H VAL 111 H VAL 111 8.843 9.262 -4.081 861 HA VAL 111 HA VAL 111 7.666 11.964 -3.541 862 HB VAL 111 HB VAL 111 6.738 9.164 -2.876 863 HG11 VAL 111 1HG1 VAL 111 4.905 10.219 -1.518 864 HG12 VAL 111 2HG1 VAL 111 6.490 10.216 -0.747 865 HG13 VAL 111 3HG1 VAL 111 5.877 11.708 -1.484 866 HG21 VAL 111 3HG2 VAL 111 5.993 10.209 -4.995 867 HG22 VAL 111 1HG2 VAL 111 4.658 9.941 -3.877 868 HG23 VAL 111 2HG2 VAL 111 5.327 11.576 -4.078 869 H VAL 112 H VAL 112 9.832 9.509 -2.346 870 HA VAL 112 HA VAL 112 10.495 11.098 0.110 871 HB VAL 112 HB VAL 112 11.090 8.164 -0.467 872 HG11 VAL 112 1HG1 VAL 112 11.192 9.768 2.125 873 HG12 VAL 112 2HG1 VAL 112 11.518 8.031 1.957 874 HG13 VAL 112 3HG1 VAL 112 12.612 9.199 1.224 875 HG21 VAL 112 3HG2 VAL 112 8.662 8.413 -0.247 876 HG22 VAL 112 1HG2 VAL 112 9.319 7.682 1.214 877 HG23 VAL 112 2HG2 VAL 112 8.868 9.401 1.215 878 HA PRO 113 HA PRO 113 13.912 11.669 -3.027 879 HB2 PRO 113 2HB PRO 113 14.280 14.369 -2.809 880 HB3 PRO 113 3HB PRO 113 12.973 13.646 -3.798 881 HG2 PRO 113 2HG PRO 113 12.782 14.663 -0.935 882 HG3 PRO 113 3HG PRO 113 11.735 15.091 -2.330 883 HD2 PRO 113 2HD PRO 113 10.989 13.167 -0.589 884 HD3 PRO 113 3HD PRO 113 10.729 12.957 -2.352 885 H ASN 114 H ASN 114 13.548 12.279 0.336 886 HA ASN 114 HA ASN 114 16.357 12.754 0.968 887 HB2 ASN 114 2HB ASN 114 15.566 12.453 3.296 888 HB3 ASN 114 3HB ASN 114 14.612 13.627 2.400 889 HD21 ASN 114 1HD2 ASN 114 14.537 10.484 3.988 890 HD22 ASN 114 2HD2 ASN 114 12.782 10.334 3.894 891 H LEU 115 H LEU 115 14.818 9.995 -0.193 892 HA LEU 115 HA LEU 115 15.399 7.867 -0.429 893 HB2 LEU 115 2HB LEU 115 17.527 9.336 -1.080 894 HB3 LEU 115 3HB LEU 115 18.255 8.511 0.284 895 HG LEU 115 HG LEU 115 17.578 6.302 -0.894 896 HD11 LEU 115 1HD1 LEU 115 15.896 7.260 -2.464 897 HD12 LEU 115 2HD1 LEU 115 17.205 6.446 -3.326 898 HD13 LEU 115 3HD1 LEU 115 17.172 8.221 -3.229 899 HD21 LEU 115 3HD2 LEU 115 19.477 6.413 -2.457 900 HD22 LEU 115 1HD2 LEU 115 19.882 7.171 -0.909 901 HD23 LEU 115 2HD2 LEU 115 19.502 8.186 -2.318 902 H ASN 116 H ASN 116 17.598 6.385 0.954 903 HA ASN 116 HA ASN 116 16.587 6.133 3.715 904 HB2 ASN 116 2HB ASN 116 15.170 4.689 2.183 905 HB3 ASN 116 3HB ASN 116 16.625 3.789 1.762 906 HD21 ASN 116 1HD2 ASN 116 16.983 1.968 3.043 907 HD22 ASN 116 2HD2 ASN 116 16.181 1.726 4.608 Start of MODEL 16 1 H1 MET 1 1H MET 1 -2.092 1.677 19.685 2 H2 MET 1 2H MET 1 -1.722 0.130 19.287 3 HA MET 1 HA MET 1 -0.934 2.515 17.750 4 HB2 MET 1 2HB MET 1 0.281 2.345 19.893 5 HB3 MET 1 3HB MET 1 0.783 0.696 19.499 6 HG2 MET 1 2HG MET 1 2.075 1.514 17.587 7 HG3 MET 1 3HG MET 1 1.490 3.162 17.860 8 HE1 MET 1 3HE MET 1 4.541 2.303 17.453 9 HE2 MET 1 1HE MET 1 4.002 3.983 17.679 10 HE3 MET 1 2HE MET 1 5.328 3.333 18.669 11 H THR 2 H THR 2 -0.159 2.177 15.750 12 HA THR 2 HA THR 2 0.042 1.137 13.727 13 HB THR 2 HB THR 2 2.084 -0.207 13.545 14 HG1 THR 2 HG1 THR 2 3.271 -0.638 15.367 15 HG21 THR 2 3HG2 THR 2 2.258 2.263 15.329 16 HG22 THR 2 1HG2 THR 2 2.282 2.214 13.554 17 HG23 THR 2 2HG2 THR 2 3.624 1.529 14.488 18 H ASP 3 H ASP 3 1.071 -1.966 14.736 19 HA ASP 3 HA ASP 3 -1.538 -3.234 14.674 20 HB2 ASP 3 2HB ASP 3 -1.244 -2.879 12.242 21 HB3 ASP 3 3HB ASP 3 0.322 -3.693 12.303 22 H SER 4 H SER 4 2.017 -3.734 14.388 23 HA SER 4 HA SER 4 1.790 -6.117 16.172 24 HB2 SER 4 2HB SER 4 3.345 -7.326 14.858 25 HB3 SER 4 3HB SER 4 2.090 -6.737 13.763 26 HG SER 4 HG SER 4 4.143 -6.426 12.881 27 H GLU 5 H GLU 5 3.837 -6.761 17.198 28 HA GLU 5 HA GLU 5 5.258 -4.543 18.416 29 HB2 GLU 5 2HB GLU 5 4.742 -6.730 19.504 30 HB3 GLU 5 3HB GLU 5 5.886 -7.522 18.421 31 HG2 GLU 5 2HG GLU 5 7.711 -6.285 19.377 32 HG3 GLU 5 3HG GLU 5 6.595 -5.304 20.328 33 H LYS 6 H LYS 6 5.765 -6.429 15.523 34 HA LYS 6 HA LYS 6 8.631 -5.899 15.319 35 HB2 LYS 6 2HB LYS 6 7.465 -8.027 14.550 36 HB3 LYS 6 3HB LYS 6 6.752 -7.075 13.241 37 HG2 LYS 6 2HG LYS 6 9.159 -6.473 12.549 38 HG3 LYS 6 3HG LYS 6 9.703 -7.670 13.737 39 HD2 LYS 6 2HD LYS 6 8.383 -9.417 12.501 40 HD3 LYS 6 3HD LYS 6 7.875 -8.166 11.345 41 HE2 LYS 6 2HE LYS 6 10.410 -7.713 11.009 42 HE3 LYS 6 3HE LYS 6 10.675 -9.256 11.835 43 HZ1 LYS 6 3HZ LYS 6 9.118 -8.807 9.343 44 HZ2 LYS 6 1HZ LYS 6 9.233 -10.274 10.087 45 HZ3 LYS 6 2HZ LYS 6 10.563 -9.571 9.438 46 H SER 7 H SER 7 5.763 -4.648 13.829 47 HA SER 7 HA SER 7 7.413 -2.912 12.041 48 HB2 SER 7 2HB SER 7 5.983 -3.284 10.271 49 HB3 SER 7 3HB SER 7 6.110 -4.874 11.030 50 HG SER 7 HG SER 7 4.096 -4.460 12.056 51 H ALA 8 H ALA 8 6.517 -0.991 11.149 52 HA ALA 8 HA ALA 8 4.476 0.344 12.862 53 HB1 ALA 8 3HB ALA 8 6.682 1.470 12.721 54 HB2 ALA 8 1HB ALA 8 6.428 1.658 10.970 55 HB3 ALA 8 2HB ALA 8 5.339 2.458 12.114 56 H THR 9 H THR 9 3.665 -1.667 10.959 57 HA THR 9 HA THR 9 2.406 -0.168 8.740 58 HB THR 9 HB THR 9 1.437 -2.256 8.028 59 HG1 THR 9 HG1 THR 9 2.812 -3.529 10.143 60 HG21 THR 9 3HG2 THR 9 3.672 -1.806 7.216 61 HG22 THR 9 1HG2 THR 9 3.460 -3.542 7.492 62 HG23 THR 9 2HG2 THR 9 4.396 -2.572 8.648 63 H ILE 10 H ILE 10 0.137 -0.220 8.335 64 HA ILE 10 HA ILE 10 -1.660 -0.893 10.615 65 HB ILE 10 HB ILE 10 -3.193 0.890 10.031 66 HG12 ILE 10 2HG1 ILE 10 -1.068 1.962 8.126 67 HG13 ILE 10 3HG1 ILE 10 -2.563 1.156 7.643 68 HG21 ILE 10 1HG2 ILE 10 -0.433 2.039 10.609 69 HG22 ILE 10 2HG2 ILE 10 -2.006 2.710 11.091 70 HG23 ILE 10 3HG2 ILE 10 -1.452 1.190 11.793 71 HD11 ILE 10 3HD1 ILE 10 -2.369 3.815 9.100 72 HD12 ILE 10 1HD1 ILE 10 -2.861 3.534 7.424 73 HD13 ILE 10 2HD1 ILE 10 -3.887 2.951 8.748 74 H LYS 11 H LYS 11 -3.924 -1.424 9.828 75 HA LYS 11 HA LYS 11 -3.947 -2.418 7.013 76 HB2 LYS 11 2HB LYS 11 -4.809 -3.989 9.462 77 HB3 LYS 11 3HB LYS 11 -5.447 -4.294 7.849 78 HG2 LYS 11 2HG LYS 11 -3.747 -5.831 7.952 79 HG3 LYS 11 3HG LYS 11 -3.011 -4.514 7.051 80 HD2 LYS 11 2HD LYS 11 -1.864 -3.795 9.215 81 HD3 LYS 11 3HD LYS 11 -2.580 -5.215 9.985 82 HE2 LYS 11 2HE LYS 11 -1.395 -6.687 8.419 83 HE3 LYS 11 3HE LYS 11 -0.757 -5.292 7.536 84 HZ1 LYS 11 3HZ LYS 11 0.552 -4.685 9.475 85 HZ2 LYS 11 1HZ LYS 11 0.837 -6.258 9.160 86 HZ3 LYS 11 2HZ LYS 11 -0.157 -5.849 10.394 87 H VAL 12 H VAL 12 -5.743 -2.129 5.853 88 HA VAL 12 HA VAL 12 -7.921 -0.445 7.030 89 HB VAL 12 HB VAL 12 -7.717 1.166 5.216 90 HG11 VAL 12 1HG1 VAL 12 -6.540 1.578 7.363 91 HG12 VAL 12 2HG1 VAL 12 -5.056 0.892 6.670 92 HG13 VAL 12 3HG1 VAL 12 -5.759 2.366 5.980 93 HG21 VAL 12 3HG2 VAL 12 -5.689 1.280 3.794 94 HG22 VAL 12 1HG2 VAL 12 -5.174 -0.310 4.398 95 HG23 VAL 12 2HG2 VAL 12 -6.661 -0.151 3.441 96 H THR 13 H THR 13 -9.871 -0.349 5.863 97 HA THR 13 HA THR 13 -10.227 -2.116 3.498 98 HB THR 13 HB THR 13 -12.261 -3.089 4.441 99 HG1 THR 13 HG1 THR 13 -12.661 -2.837 6.676 100 HG21 THR 13 3HG2 THR 13 -11.325 -4.631 6.070 101 HG22 THR 13 1HG2 THR 13 -9.940 -3.563 6.358 102 HG23 THR 13 2HG2 THR 13 -10.148 -4.347 4.776 103 H ASP 14 H ASP 14 -12.212 -1.694 2.327 104 HA ASP 14 HA ASP 14 -12.743 0.890 1.674 105 HB2 ASP 14 2HB ASP 14 -13.438 -1.212 0.486 106 HB3 ASP 14 3HB ASP 14 -14.784 -1.368 1.601 107 H ALA 15 H ALA 15 -14.338 -0.793 4.361 108 HA ALA 15 HA ALA 15 -16.502 1.039 4.757 109 HB1 ALA 15 3HB ALA 15 -15.123 -0.877 6.689 110 HB2 ALA 15 1HB ALA 15 -16.725 -0.142 6.911 111 HB3 ALA 15 2HB ALA 15 -16.459 -1.287 5.584 112 H SER 16 H SER 16 -13.131 1.329 5.594 113 HA SER 16 HA SER 16 -13.662 3.813 7.179 114 HB2 SER 16 2HB SER 16 -11.610 1.666 7.821 115 HB3 SER 16 3HB SER 16 -11.822 3.205 8.681 116 HG SER 16 HG SER 16 -12.886 1.460 9.733 117 H PHE 17 H PHE 17 -12.393 2.793 4.345 118 HA PHE 17 HA PHE 17 -9.731 3.565 4.276 119 HB2 PHE 17 2HB PHE 17 -11.180 2.315 2.563 120 HB3 PHE 17 3HB PHE 17 -11.663 3.884 1.948 121 HD1 PHE 17 HD1 PHE 17 -9.892 5.388 0.890 122 HD2 PHE 17 HD2 PHE 17 -9.045 1.355 2.158 123 HE1 PHE 17 HE1 PHE 17 -7.818 5.382 -0.487 124 HE2 PHE 17 HE2 PHE 17 -7.039 1.322 0.709 125 HZ PHE 17 HZ PHE 17 -6.412 3.346 -0.605 126 H ALA 18 H ALA 18 -12.577 5.677 3.700 127 HA ALA 18 HA ALA 18 -11.026 7.977 3.009 128 HB1 ALA 18 3HB ALA 18 -13.852 7.776 4.120 129 HB2 ALA 18 1HB ALA 18 -13.133 9.203 3.339 130 HB3 ALA 18 2HB ALA 18 -13.384 7.719 2.401 131 H THR 19 H THR 19 -12.031 6.658 6.132 132 HA THR 19 HA THR 19 -11.192 8.984 7.692 133 HB THR 19 HB THR 19 -11.797 6.166 8.679 134 HG1 THR 19 HG1 THR 19 -13.924 6.898 8.898 135 HG21 THR 19 3HG2 THR 19 -12.056 8.907 10.000 136 HG22 THR 19 1HG2 THR 19 -10.902 7.626 10.438 137 HG23 THR 19 2HG2 THR 19 -12.628 7.374 10.702 138 H ASP 20 H ASP 20 -9.674 5.963 6.657 139 HA ASP 20 HA ASP 20 -7.366 6.397 8.476 140 HB2 ASP 20 2HB ASP 20 -8.137 4.109 6.632 141 HB3 ASP 20 3HB ASP 20 -6.681 4.149 7.624 142 H VAL 21 H VAL 21 -8.006 6.441 4.979 143 HA VAL 21 HA VAL 21 -5.099 6.927 4.435 144 HB VAL 21 HB VAL 21 -7.216 5.920 2.509 145 HG11 VAL 21 1HG1 VAL 21 -4.186 5.843 2.319 146 HG12 VAL 21 2HG1 VAL 21 -5.349 5.299 1.099 147 HG13 VAL 21 3HG1 VAL 21 -5.217 7.017 1.465 148 HG21 VAL 21 3HG2 VAL 21 -6.125 3.700 2.752 149 HG22 VAL 21 1HG2 VAL 21 -5.142 4.337 4.089 150 HG23 VAL 21 2HG2 VAL 21 -6.911 4.208 4.240 151 H LEU 22 H LEU 22 -8.346 7.918 3.198 152 HA LEU 22 HA LEU 22 -7.170 10.143 1.758 153 HB2 LEU 22 2HB LEU 22 -10.111 9.775 2.306 154 HB3 LEU 22 3HB LEU 22 -9.357 10.696 1.019 155 HG LEU 22 HG LEU 22 -9.276 7.666 1.290 156 HD11 LEU 22 1HD1 LEU 22 -10.754 9.438 -0.688 157 HD12 LEU 22 2HD1 LEU 22 -11.492 8.551 0.661 158 HD13 LEU 22 3HD1 LEU 22 -10.739 7.660 -0.672 159 HD21 LEU 22 3HD2 LEU 22 -8.330 7.654 -0.986 160 HD22 LEU 22 1HD2 LEU 22 -7.242 8.468 0.140 161 HD23 LEU 22 2HD2 LEU 22 -8.254 9.421 -0.972 162 H SER 23 H SER 23 -8.035 9.825 5.011 163 HA SER 23 HA SER 23 -8.671 12.541 5.712 164 HB2 SER 23 2HB SER 23 -8.193 11.733 7.998 165 HB3 SER 23 3HB SER 23 -9.270 10.647 7.101 166 HG SER 23 HG SER 23 -7.730 9.386 8.046 167 H SER 24 H SER 24 -5.659 11.041 4.796 168 HA SER 24 HA SER 24 -3.853 12.233 6.561 169 HB2 SER 24 2HB SER 24 -2.193 11.457 4.938 170 HB3 SER 24 3HB SER 24 -3.395 10.216 5.278 171 HG SER 24 HG SER 24 -4.187 10.384 3.308 172 H ASN 25 H ASN 25 -2.482 13.934 6.464 173 HA ASN 25 HA ASN 25 -2.500 15.722 4.064 174 HB2 ASN 25 2HB ASN 25 -3.205 16.851 6.114 175 HB3 ASN 25 3HB ASN 25 -1.725 16.341 6.935 176 HD21 ASN 25 1HD2 ASN 25 -2.636 18.018 3.819 177 HD22 ASN 25 2HD2 ASN 25 -1.421 19.275 4.046 178 H LYS 26 H LYS 26 -0.714 13.387 5.782 179 HA LYS 26 HA LYS 26 1.882 14.053 4.490 180 HB2 LYS 26 2HB LYS 26 2.855 12.343 5.890 181 HB3 LYS 26 3HB LYS 26 1.925 13.449 6.890 182 HG2 LYS 26 2HG LYS 26 0.073 11.827 7.019 183 HG3 LYS 26 3HG LYS 26 0.924 10.714 5.950 184 HD2 LYS 26 2HD LYS 26 1.920 11.590 8.695 185 HD3 LYS 26 3HD LYS 26 1.035 10.106 8.342 186 HE2 LYS 26 2HE LYS 26 2.920 9.576 6.643 187 HE3 LYS 26 3HE LYS 26 3.840 10.865 7.439 188 HZ1 LYS 26 3HZ LYS 26 2.762 8.400 8.695 189 HZ2 LYS 26 1HZ LYS 26 3.469 9.605 9.562 190 HZ3 LYS 26 2HZ LYS 26 4.353 8.740 8.499 191 HA PRO 27 HA PRO 27 1.397 10.828 1.379 192 HB2 PRO 27 2HB PRO 27 3.978 9.684 2.365 193 HB3 PRO 27 3HB PRO 27 3.479 10.018 0.678 194 HG2 PRO 27 2HG PRO 27 5.206 11.677 1.960 195 HG3 PRO 27 3HG PRO 27 3.876 12.365 0.981 196 HD2 PRO 27 2HD PRO 27 3.994 11.976 3.983 197 HD3 PRO 27 3HD PRO 27 3.447 13.405 3.056 198 H VAL 28 H VAL 28 0.379 8.837 1.355 199 HA VAL 28 HA VAL 28 0.949 6.886 3.475 200 HB VAL 28 HB VAL 28 -0.945 7.966 4.390 201 HG11 VAL 28 1HG1 VAL 28 -1.962 8.958 2.373 202 HG12 VAL 28 2HG1 VAL 28 -2.480 7.340 1.848 203 HG13 VAL 28 3HG1 VAL 28 -3.130 8.049 3.338 204 HG21 VAL 28 3HG2 VAL 28 -2.447 6.088 4.678 205 HG22 VAL 28 1HG2 VAL 28 -1.845 5.308 3.204 206 HG23 VAL 28 2HG2 VAL 28 -0.782 5.492 4.612 207 H LEU 29 H LEU 29 1.331 4.994 2.733 208 HA LEU 29 HA LEU 29 0.851 4.314 -0.125 209 HB2 LEU 29 2HB LEU 29 3.166 4.437 1.124 210 HB3 LEU 29 3HB LEU 29 2.663 2.932 1.869 211 HG LEU 29 HG LEU 29 3.229 3.491 -1.066 212 HD11 LEU 29 1HD1 LEU 29 5.152 3.127 0.440 213 HD12 LEU 29 2HD1 LEU 29 4.971 1.773 -0.691 214 HD13 LEU 29 3HD1 LEU 29 4.446 1.595 0.994 215 HD21 LEU 29 3HD2 LEU 29 1.404 1.919 -1.180 216 HD22 LEU 29 1HD2 LEU 29 2.072 0.952 0.167 217 HD23 LEU 29 2HD2 LEU 29 2.889 1.007 -1.404 218 H VAL 30 H VAL 30 -0.670 2.731 -0.567 219 HA VAL 30 HA VAL 30 -1.421 0.824 1.607 220 HB VAL 30 HB VAL 30 -3.331 1.660 -0.580 221 HG11 VAL 30 1HG1 VAL 30 -3.769 -0.508 0.500 222 HG12 VAL 30 2HG1 VAL 30 -3.640 0.239 2.107 223 HG13 VAL 30 3HG1 VAL 30 -4.967 0.672 1.023 224 HG21 VAL 30 3HG2 VAL 30 -2.952 3.698 0.717 225 HG22 VAL 30 1HG2 VAL 30 -4.522 3.006 1.119 226 HG23 VAL 30 2HG2 VAL 30 -3.161 2.807 2.239 227 H ASP 31 H ASP 31 -1.041 -1.231 1.186 228 HA ASP 31 HA ASP 31 -0.542 -2.132 -1.618 229 HB2 ASP 31 2HB ASP 31 1.357 -2.446 -0.285 230 HB3 ASP 31 3HB ASP 31 0.440 -3.086 1.072 231 H PHE 32 H PHE 32 -2.114 -3.116 -2.584 232 HA PHE 32 HA PHE 32 -4.226 -4.653 -1.181 233 HB2 PHE 32 2HB PHE 32 -3.858 -4.137 -4.145 234 HB3 PHE 32 3HB PHE 32 -5.279 -4.785 -3.353 235 HD1 PHE 32 HD1 PHE 32 -4.959 -2.385 -1.065 236 HD2 PHE 32 HD2 PHE 32 -5.333 -2.620 -5.351 237 HE1 PHE 32 HE1 PHE 32 -6.019 -0.150 -1.097 238 HE2 PHE 32 HE2 PHE 32 -6.368 -0.368 -5.382 239 HZ PHE 32 HZ PHE 32 -6.724 0.869 -3.250 240 H TRP 33 H TRP 33 -3.696 -6.701 -0.683 241 HA TRP 33 HA TRP 33 -1.955 -8.329 -2.496 242 HB2 TRP 33 2HB TRP 33 -0.641 -9.032 -0.661 243 HB3 TRP 33 3HB TRP 33 -0.670 -7.285 -0.635 244 HD1 TRP 33 HD1 TRP 33 -2.377 -6.198 1.258 245 HE1 TRP 33 HE1 TRP 33 -3.115 -7.048 3.570 246 HE3 TRP 33 HE3 TRP 33 -0.834 -11.060 0.870 247 HZ2 TRP 33 HZ2 TRP 33 -2.942 -9.481 5.100 248 HZ3 TRP 33 HZ3 TRP 33 -1.097 -12.609 2.785 249 HH2 TRP 33 HH2 TRP 33 -2.179 -11.851 4.884 250 H ALA 34 H ALA 34 -1.962 -10.722 -1.767 251 HA ALA 34 HA ALA 34 -4.282 -11.597 -0.217 252 HB1 ALA 34 3HB ALA 34 -3.945 -12.515 -3.110 253 HB2 ALA 34 1HB ALA 34 -5.135 -13.121 -1.931 254 HB3 ALA 34 2HB ALA 34 -5.239 -11.454 -2.507 255 H THR 35 H THR 35 -3.895 -13.493 0.853 256 HA THR 35 HA THR 35 -1.171 -14.063 1.205 257 HB THR 35 HB THR 35 -3.087 -14.243 2.859 258 HG1 THR 35 HG1 THR 35 -1.934 -15.802 4.044 259 HG21 THR 35 3HG2 THR 35 -3.177 -17.141 1.919 260 HG22 THR 35 1HG2 THR 35 -4.450 -15.936 1.609 261 HG23 THR 35 2HG2 THR 35 -4.064 -16.411 3.270 262 H TRP 36 H TRP 36 -3.081 -15.419 -1.219 263 HA TRP 36 HA TRP 36 -1.428 -17.850 -1.558 264 HB2 TRP 36 2HB TRP 36 -2.853 -18.251 -3.493 265 HB3 TRP 36 3HB TRP 36 -3.782 -17.993 -2.031 266 HD1 TRP 36 HD1 TRP 36 -5.568 -16.113 -2.045 267 HE1 TRP 36 HE1 TRP 36 -6.487 -14.504 -3.808 268 HE3 TRP 36 HE3 TRP 36 -1.979 -16.717 -5.674 269 HZ2 TRP 36 HZ2 TRP 36 -5.754 -13.557 -6.419 270 HZ3 TRP 36 HZ3 TRP 36 -2.088 -15.385 -7.761 271 HH2 TRP 36 HH2 TRP 36 -3.970 -13.810 -8.154 272 H CYS 37 H CYS 37 -1.057 -14.539 -2.412 273 HA CYS 37 HA CYS 37 0.028 -15.058 -5.088 274 HB2 CYS 37 2HB CYS 37 -1.582 -13.280 -4.676 275 HB3 CYS 37 3HB CYS 37 -0.466 -12.489 -3.553 276 HG CYS 37 HG CYS 37 -0.651 -11.306 -5.987 277 H GLY 38 H GLY 38 2.037 -15.861 -5.191 278 HA2 GLY 38 2HA GLY 38 4.180 -15.613 -3.437 279 HA3 GLY 38 3HA GLY 38 4.342 -15.893 -5.172 280 HA PRO 39 HA PRO 39 5.917 -11.766 -5.827 281 HB2 PRO 39 2HB PRO 39 3.363 -10.722 -7.011 282 HB3 PRO 39 3HB PRO 39 5.028 -10.554 -7.636 283 HG2 PRO 39 2HG PRO 39 3.385 -12.394 -8.735 284 HG3 PRO 39 3HG PRO 39 5.084 -12.833 -8.358 285 HD2 PRO 39 2HD PRO 39 2.587 -13.456 -6.775 286 HD3 PRO 39 3HD PRO 39 3.974 -14.513 -7.156 287 H CYS 40 H CYS 40 2.666 -11.711 -4.293 288 HA CYS 40 HA CYS 40 3.153 -9.108 -3.062 289 HB2 CYS 40 2HB CYS 40 1.094 -9.145 -2.262 290 HB3 CYS 40 3HB CYS 40 0.844 -10.337 -3.540 291 HG CYS 40 HG CYS 40 1.180 -12.440 -1.979 292 H LYS 41 H LYS 41 3.549 -12.522 -2.060 293 HA LYS 41 HA LYS 41 4.615 -11.961 0.564 294 HB2 LYS 41 2HB LYS 41 5.177 -14.307 -1.301 295 HB3 LYS 41 3HB LYS 41 5.599 -14.249 0.400 296 HG2 LYS 41 2HG LYS 41 2.738 -14.093 -0.645 297 HG3 LYS 41 3HG LYS 41 3.548 -15.573 -0.145 298 HD2 LYS 41 2HD LYS 41 3.823 -14.680 2.145 299 HD3 LYS 41 3HD LYS 41 3.001 -13.175 1.662 300 HE2 LYS 41 2HE LYS 41 0.983 -14.420 1.060 301 HE3 LYS 41 3HE LYS 41 1.775 -15.957 1.402 302 HZ1 LYS 41 3HZ LYS 41 1.899 -15.351 3.729 303 HZ2 LYS 41 1HZ LYS 41 0.345 -15.215 3.230 304 HZ3 LYS 41 2HZ LYS 41 1.258 -13.871 3.455 305 H MET 42 H MET 42 6.166 -11.944 -2.613 306 HA MET 42 HA MET 42 8.862 -11.597 -1.645 307 HB2 MET 42 2HB MET 42 7.555 -10.883 -4.291 308 HB3 MET 42 3HB MET 42 9.280 -10.710 -3.974 309 HG2 MET 42 2HG MET 42 9.550 -13.074 -3.616 310 HG3 MET 42 3HG MET 42 7.812 -13.348 -3.665 311 HE1 MET 42 3HE MET 42 8.907 -15.203 -6.885 312 HE2 MET 42 1HE MET 42 9.739 -15.140 -5.315 313 HE3 MET 42 2HE MET 42 7.966 -15.278 -5.378 314 H VAL 43 H VAL 43 6.383 -9.124 -2.608 315 HA VAL 43 HA VAL 43 8.262 -6.985 -1.857 316 HB VAL 43 HB VAL 43 6.781 -6.861 -3.816 317 HG11 VAL 43 1HG1 VAL 43 4.692 -7.697 -2.770 318 HG12 VAL 43 2HG1 VAL 43 4.557 -6.188 -1.851 319 HG13 VAL 43 3HG1 VAL 43 4.481 -6.166 -3.626 320 HG21 VAL 43 3HG2 VAL 43 6.357 -4.495 -3.672 321 HG22 VAL 43 1HG2 VAL 43 6.436 -4.534 -1.902 322 HG23 VAL 43 2HG2 VAL 43 7.892 -4.863 -2.864 323 H ALA 44 H ALA 44 5.687 -8.630 -0.137 324 HA ALA 44 HA ALA 44 4.966 -6.800 1.805 325 HB1 ALA 44 3HB ALA 44 4.567 -8.779 3.250 326 HB2 ALA 44 1HB ALA 44 3.966 -9.002 1.599 327 HB3 ALA 44 2HB ALA 44 5.473 -9.787 2.103 328 HA PRO 45 HA PRO 45 8.691 -7.565 4.696 329 HB2 PRO 45 2HB PRO 45 11.087 -8.472 3.696 330 HB3 PRO 45 3HB PRO 45 9.816 -9.538 4.366 331 HG2 PRO 45 2HG PRO 45 10.307 -8.839 1.451 332 HG3 PRO 45 3HG PRO 45 10.082 -10.466 2.176 333 HD2 PRO 45 2HD PRO 45 8.028 -9.194 1.013 334 HD3 PRO 45 3HD PRO 45 7.770 -10.084 2.538 335 H VAL 46 H VAL 46 9.202 -6.515 1.337 336 HA VAL 46 HA VAL 46 11.150 -4.454 2.010 337 HB VAL 46 HB VAL 46 9.428 -4.543 -0.495 338 HG11 VAL 46 1HG1 VAL 46 12.203 -3.465 0.045 339 HG12 VAL 46 2HG1 VAL 46 11.235 -3.267 -1.448 340 HG13 VAL 46 3HG1 VAL 46 10.757 -2.448 0.043 341 HG21 VAL 46 3HG2 VAL 46 10.549 -6.716 -0.369 342 HG22 VAL 46 1HG2 VAL 46 11.390 -5.707 -1.541 343 HG23 VAL 46 2HG2 VAL 46 12.086 -5.939 0.077 344 H LEU 47 H LEU 47 7.625 -4.469 1.342 345 HA LEU 47 HA LEU 47 7.051 -1.736 1.967 346 HB2 LEU 47 2HB LEU 47 5.546 -4.367 2.110 347 HB3 LEU 47 3HB LEU 47 4.796 -2.911 2.738 348 HG LEU 47 HG LEU 47 5.857 -3.007 -0.106 349 HD11 LEU 47 1HD1 LEU 47 3.109 -3.778 0.927 350 HD12 LEU 47 2HD1 LEU 47 4.289 -4.863 0.167 351 HD13 LEU 47 3HD1 LEU 47 3.552 -3.571 -0.786 352 HD21 LEU 47 3HD2 LEU 47 3.722 -1.337 1.309 353 HD22 LEU 47 1HD2 LEU 47 4.150 -1.219 -0.402 354 HD23 LEU 47 2HD2 LEU 47 5.336 -0.769 0.829 355 H GLU 48 H GLU 48 7.307 -4.607 4.126 356 HA GLU 48 HA GLU 48 6.537 -3.266 6.519 357 HB2 GLU 48 2HB GLU 48 6.593 -5.746 6.037 358 HB3 GLU 48 3HB GLU 48 8.349 -5.695 6.243 359 HG2 GLU 48 2HG GLU 48 8.007 -4.883 8.579 360 HG3 GLU 48 3HG GLU 48 6.256 -4.924 8.310 361 H GLU 49 H GLU 49 9.835 -3.821 5.145 362 HA GLU 49 HA GLU 49 11.262 -2.374 7.188 363 HB2 GLU 49 2HB GLU 49 11.835 -2.963 4.258 364 HB3 GLU 49 3HB GLU 49 12.902 -1.973 5.264 365 HG2 GLU 49 2HG GLU 49 13.209 -3.804 6.848 366 HG3 GLU 49 3HG GLU 49 12.101 -4.825 5.937 367 H ILE 50 H ILE 50 9.921 -1.245 4.020 368 HA ILE 50 HA ILE 50 10.672 1.489 4.316 369 HB ILE 50 HB ILE 50 8.431 0.066 2.846 370 HG12 ILE 50 2HG1 ILE 50 10.778 -0.277 2.044 371 HG13 ILE 50 3HG1 ILE 50 9.685 0.406 0.856 372 HG21 ILE 50 1HG2 ILE 50 7.976 2.087 1.563 373 HG22 ILE 50 2HG2 ILE 50 7.528 2.279 3.243 374 HG23 ILE 50 3HG2 ILE 50 9.019 3.039 2.656 375 HD11 ILE 50 3HD1 ILE 50 11.938 1.401 0.777 376 HD12 ILE 50 1HD1 ILE 50 10.713 2.624 1.133 377 HD13 ILE 50 2HD1 ILE 50 11.758 1.999 2.434 378 H ALA 51 H ALA 51 7.698 -0.180 5.461 379 HA ALA 51 HA ALA 51 6.420 2.063 6.630 380 HB1 ALA 51 3HB ALA 51 5.168 0.402 7.893 381 HB2 ALA 51 1HB ALA 51 5.456 -0.258 6.268 382 HB3 ALA 51 2HB ALA 51 6.414 -0.827 7.635 383 H THR 52 H THR 52 8.745 -0.256 8.088 384 HA THR 52 HA THR 52 8.524 0.958 10.710 385 HB THR 52 HB THR 52 10.485 -1.139 9.717 386 HG1 THR 52 HG1 THR 52 8.529 -1.942 9.355 387 HG21 THR 52 3HG2 THR 52 9.400 -0.489 12.501 388 HG22 THR 52 1HG2 THR 52 11.082 -0.282 11.957 389 HG23 THR 52 2HG2 THR 52 10.389 -1.906 12.084 390 H GLU 53 H GLU 53 10.878 1.227 8.077 391 HA GLU 53 HA GLU 53 12.737 2.837 9.679 392 HB2 GLU 53 2HB GLU 53 12.713 2.111 6.723 393 HB3 GLU 53 3HB GLU 53 14.002 2.966 7.564 394 HG2 GLU 53 2HG GLU 53 14.077 0.947 9.182 395 HG3 GLU 53 3HG GLU 53 13.116 0.085 8.005 396 H ARG 54 H ARG 54 10.302 3.531 7.129 397 HA ARG 54 HA ARG 54 11.045 6.428 7.262 398 HB2 ARG 54 2HB ARG 54 9.505 5.083 5.032 399 HB3 ARG 54 3HB ARG 54 10.175 6.694 5.063 400 HG2 ARG 54 2HG ARG 54 11.605 4.074 4.710 401 HG3 ARG 54 3HG ARG 54 11.593 5.486 3.666 402 HD2 ARG 54 2HD ARG 54 13.129 5.058 6.238 403 HD3 ARG 54 3HD ARG 54 13.762 5.318 4.619 404 HE ARG 54 HE ARG 54 12.280 7.654 5.330 405 HH11 ARG 54 1HH1 ARG 54 15.193 6.065 6.508 406 HH12 ARG 54 2HH1 ARG 54 15.816 7.557 7.156 407 HH21 ARG 54 1HH2 ARG 54 13.058 9.386 6.168 408 HH22 ARG 54 2HH2 ARG 54 14.633 9.448 6.968 409 H ALA 55 H ALA 55 9.234 5.107 9.207 410 HA ALA 55 HA ALA 55 6.549 5.759 8.857 411 HB1 ALA 55 3HB ALA 55 6.453 5.762 11.322 412 HB2 ALA 55 1HB ALA 55 7.481 4.446 10.730 413 HB3 ALA 55 2HB ALA 55 8.221 5.915 11.406 414 H THR 56 H THR 56 9.178 8.025 9.559 415 HA THR 56 HA THR 56 7.487 10.303 10.227 416 HB THR 56 HB THR 56 9.678 11.552 9.926 417 HG1 THR 56 HG1 THR 56 11.514 10.258 9.739 418 HG21 THR 56 3HG2 THR 56 10.703 10.640 11.953 419 HG22 THR 56 1HG2 THR 56 9.759 9.142 11.800 420 HG23 THR 56 2HG2 THR 56 8.943 10.685 12.135 421 H ASP 57 H ASP 57 8.513 8.876 7.227 422 HA ASP 57 HA ASP 57 7.924 11.367 5.673 423 HB2 ASP 57 2HB ASP 57 9.156 8.761 4.731 424 HB3 ASP 57 3HB ASP 57 9.032 10.266 3.838 425 H LEU 58 H LEU 58 6.966 7.986 6.080 426 HA LEU 58 HA LEU 58 4.565 8.325 4.323 427 HB2 LEU 58 2HB LEU 58 6.310 5.859 4.728 428 HB3 LEU 58 3HB LEU 58 4.865 5.938 3.738 429 HG LEU 58 HG LEU 58 7.506 7.339 3.151 430 HD11 LEU 58 1HD1 LEU 58 6.119 4.996 1.797 431 HD12 LEU 58 2HD1 LEU 58 7.514 4.884 2.895 432 HD13 LEU 58 3HD1 LEU 58 7.682 5.723 1.346 433 HD21 LEU 58 3HD2 LEU 58 4.886 7.329 1.627 434 HD22 LEU 58 1HD2 LEU 58 6.457 7.689 0.868 435 HD23 LEU 58 2HD2 LEU 58 5.877 8.716 2.172 436 H THR 59 H THR 59 2.681 7.368 5.082 437 HA THR 59 HA THR 59 2.866 5.536 7.467 438 HB THR 59 HB THR 59 0.424 6.896 6.278 439 HG1 THR 59 HG1 THR 59 0.348 7.699 8.436 440 HG21 THR 59 3HG2 THR 59 -0.809 5.827 8.160 441 HG22 THR 59 1HG2 THR 59 0.639 4.878 8.564 442 HG23 THR 59 2HG2 THR 59 -0.209 4.623 7.019 443 H VAL 60 H VAL 60 2.433 3.331 7.056 444 HA VAL 60 HA VAL 60 1.918 2.640 4.184 445 HB VAL 60 HB VAL 60 3.874 1.281 6.016 446 HG11 VAL 60 1HG1 VAL 60 4.509 0.013 3.942 447 HG12 VAL 60 2HG1 VAL 60 2.868 -0.348 4.474 448 HG13 VAL 60 3HG1 VAL 60 3.131 0.750 3.099 449 HG21 VAL 60 3HG2 VAL 60 4.798 3.407 5.218 450 HG22 VAL 60 1HG2 VAL 60 5.569 2.070 4.364 451 HG23 VAL 60 2HG2 VAL 60 4.316 3.027 3.552 452 H ALA 61 H ALA 61 0.319 1.331 3.834 453 HA ALA 61 HA ALA 61 -0.968 -0.111 6.074 454 HB1 ALA 61 3HB ALA 61 -2.036 2.054 5.459 455 HB2 ALA 61 1HB ALA 61 -2.257 1.446 3.811 456 HB3 ALA 61 2HB ALA 61 -3.098 0.661 5.164 457 H LYS 62 H LYS 62 -2.199 -1.961 5.596 458 HA LYS 62 HA LYS 62 -1.874 -3.201 2.884 459 HB2 LYS 62 2HB LYS 62 -1.124 -4.222 5.567 460 HB3 LYS 62 3HB LYS 62 -2.094 -5.344 4.619 461 HG2 LYS 62 2HG LYS 62 -0.518 -5.123 2.719 462 HG3 LYS 62 3HG LYS 62 0.500 -4.041 3.689 463 HD2 LYS 62 2HD LYS 62 0.884 -5.803 5.342 464 HD3 LYS 62 3HD LYS 62 -0.236 -6.894 4.525 465 HE2 LYS 62 2HE LYS 62 2.374 -5.848 3.337 466 HE3 LYS 62 3HE LYS 62 2.162 -7.418 4.123 467 HZ1 LYS 62 3HZ LYS 62 1.931 -7.751 1.786 468 HZ2 LYS 62 1HZ LYS 62 0.906 -6.509 1.593 469 HZ3 LYS 62 2HZ LYS 62 0.407 -7.864 2.383 470 H LEU 63 H LEU 63 -3.488 -4.261 1.982 471 HA LEU 63 HA LEU 63 -6.051 -4.732 3.436 472 HB2 LEU 63 2HB LEU 63 -6.286 -2.669 2.242 473 HB3 LEU 63 3HB LEU 63 -5.592 -3.333 0.785 474 HG LEU 63 HG LEU 63 -8.114 -2.881 0.984 475 HD11 LEU 63 1HD1 LEU 63 -8.692 -4.665 -0.599 476 HD12 LEU 63 2HD1 LEU 63 -7.212 -5.527 -0.200 477 HD13 LEU 63 3HD1 LEU 63 -7.124 -3.938 -0.986 478 HD21 LEU 63 3HD2 LEU 63 -9.566 -4.551 1.742 479 HD22 LEU 63 1HD2 LEU 63 -8.428 -4.320 3.068 480 HD23 LEU 63 2HD2 LEU 63 -8.283 -5.729 1.998 481 H ASP 64 H ASP 64 -6.473 -6.863 3.371 482 HA ASP 64 HA ASP 64 -5.277 -8.601 1.317 483 HB2 ASP 64 2HB ASP 64 -5.456 -9.193 3.808 484 HB3 ASP 64 3HB ASP 64 -7.151 -9.390 3.553 485 H VAL 65 H VAL 65 -6.295 -8.659 -0.649 486 HA VAL 65 HA VAL 65 -9.121 -8.018 -0.938 487 HB VAL 65 HB VAL 65 -8.935 -8.453 -3.284 488 HG11 VAL 65 1HG1 VAL 65 -7.290 -6.755 -3.882 489 HG12 VAL 65 2HG1 VAL 65 -8.207 -6.281 -2.446 490 HG13 VAL 65 3HG1 VAL 65 -6.538 -6.879 -2.278 491 HG21 VAL 65 3HG2 VAL 65 -7.381 -10.397 -3.281 492 HG22 VAL 65 1HG2 VAL 65 -6.927 -9.110 -4.406 493 HG23 VAL 65 2HG2 VAL 65 -6.049 -9.286 -2.883 494 H ASP 66 H ASP 66 -7.624 -10.969 -0.030 495 HA ASP 66 HA ASP 66 -9.852 -12.648 -0.979 496 HB2 ASP 66 2HB ASP 66 -7.528 -13.515 -0.529 497 HB3 ASP 66 3HB ASP 66 -7.817 -13.232 1.192 498 H THR 67 H THR 67 -9.314 -10.397 1.599 499 HA THR 67 HA THR 67 -11.600 -11.459 3.210 500 HB THR 67 HB THR 67 -10.873 -10.141 5.026 501 HG1 THR 67 HG1 THR 67 -9.039 -8.913 3.284 502 HG21 THR 67 3HG2 THR 67 -9.623 -12.192 4.810 503 HG22 THR 67 1HG2 THR 67 -8.611 -10.901 5.484 504 HG23 THR 67 2HG2 THR 67 -8.414 -11.395 3.790 505 H ASN 68 H ASN 68 -10.491 -8.458 1.622 506 HA ASN 68 HA ASN 68 -13.285 -7.395 1.580 507 HB2 ASN 68 2HB ASN 68 -10.807 -6.117 2.789 508 HB3 ASN 68 3HB ASN 68 -12.244 -5.190 2.351 509 HD21 ASN 68 1HD2 ASN 68 -10.943 -7.598 4.613 510 HD22 ASN 68 2HD2 ASN 68 -12.277 -7.420 5.750 511 HA PRO 69 HA PRO 69 -10.865 -7.005 -2.457 512 HB2 PRO 69 2HB PRO 69 -12.843 -7.929 -4.155 513 HB3 PRO 69 3HB PRO 69 -11.665 -8.981 -3.336 514 HG2 PRO 69 2HG PRO 69 -14.497 -8.317 -2.480 515 HG3 PRO 69 3HG PRO 69 -13.711 -9.928 -2.550 516 HD2 PRO 69 2HD PRO 69 -13.916 -8.558 -0.226 517 HD3 PRO 69 3HD PRO 69 -12.442 -9.492 -0.601 518 H GLU 70 H GLU 70 -14.050 -5.912 -1.434 519 HA GLU 70 HA GLU 70 -14.742 -4.137 -3.499 520 HB2 GLU 70 2HB GLU 70 -15.218 -3.928 -0.506 521 HB3 GLU 70 3HB GLU 70 -16.028 -2.935 -1.716 522 HG2 GLU 70 2HG GLU 70 -16.214 -5.978 -1.532 523 HG3 GLU 70 3HG GLU 70 -17.413 -4.840 -0.937 524 H THR 71 H THR 71 -12.294 -3.721 -0.987 525 HA THR 71 HA THR 71 -11.981 -0.877 -1.188 526 HB THR 71 HB THR 71 -9.711 -2.702 -0.502 527 HG1 THR 71 HG1 THR 71 -11.211 -3.614 0.724 528 HG21 THR 71 3HG2 THR 71 -10.706 -0.031 0.566 529 HG22 THR 71 1HG2 THR 71 -9.250 -0.313 -0.412 530 HG23 THR 71 2HG2 THR 71 -9.342 -0.941 1.244 531 H ALA 72 H ALA 72 -10.294 -3.550 -2.862 532 HA ALA 72 HA ALA 72 -8.700 -1.781 -4.574 533 HB1 ALA 72 3HB ALA 72 -7.964 -4.028 -3.772 534 HB2 ALA 72 1HB ALA 72 -9.233 -4.762 -4.785 535 HB3 ALA 72 2HB ALA 72 -7.907 -3.820 -5.521 536 H ARG 73 H ARG 73 -11.787 -3.442 -4.821 537 HA ARG 73 HA ARG 73 -12.184 -2.957 -7.609 538 HB2 ARG 73 2HB ARG 73 -13.301 -4.686 -6.113 539 HB3 ARG 73 3HB ARG 73 -14.248 -3.365 -5.414 540 HG2 ARG 73 2HG ARG 73 -15.242 -2.945 -7.695 541 HG3 ARG 73 3HG ARG 73 -14.356 -4.376 -8.284 542 HD2 ARG 73 2HD ARG 73 -15.471 -5.737 -6.489 543 HD3 ARG 73 3HD ARG 73 -16.361 -4.287 -5.987 544 HE ARG 73 HE ARG 73 -16.812 -4.826 -8.777 545 HH11 ARG 73 1HH1 ARG 73 -17.782 -5.943 -5.574 546 HH12 ARG 73 2HH1 ARG 73 -19.284 -6.604 -6.181 547 HH21 ARG 73 2HH2 ARG 73 -18.762 -5.677 -9.452 548 HH22 ARG 73 1HH2 ARG 73 -19.821 -6.448 -8.308 549 H ASN 74 H ASN 74 -13.009 -0.976 -4.769 550 HA ASN 74 HA ASN 74 -14.721 0.899 -5.971 551 HB2 ASN 74 2HB ASN 74 -14.247 0.578 -3.544 552 HB3 ASN 74 3HB ASN 74 -12.671 1.334 -3.748 553 HD21 ASN 74 2HD2 ASN 74 -14.381 2.290 -1.854 554 HD22 ASN 74 1HD2 ASN 74 -14.998 3.860 -2.380 555 H PHE 75 H PHE 75 -11.137 0.946 -5.885 556 HA PHE 75 HA PHE 75 -10.984 3.334 -7.610 557 HB2 PHE 75 2HB PHE 75 -8.849 1.455 -6.533 558 HB3 PHE 75 3HB PHE 75 -8.538 2.915 -7.462 559 HD1 PHE 75 HD2 PHE 75 -9.294 5.175 -6.563 560 HD2 PHE 75 HD1 PHE 75 -9.219 1.603 -4.148 561 HE1 PHE 75 HE2 PHE 75 -9.409 6.563 -4.504 562 HE2 PHE 75 HE1 PHE 75 -9.350 2.990 -2.094 563 HZ PHE 75 HZ PHE 75 -9.457 5.471 -2.271 564 H GLN 76 H GLN 76 -11.657 0.129 -8.198 565 HA GLN 76 HA GLN 76 -11.433 -1.381 -9.774 566 HB2 GLN 76 2HB GLN 76 -12.752 0.479 -10.900 567 HB3 GLN 76 3HB GLN 76 -11.283 0.846 -11.818 568 HG2 GLN 76 2HG GLN 76 -11.283 -1.515 -12.676 569 HG3 GLN 76 3HG GLN 76 -12.734 -1.844 -11.733 570 HE21 GLN 76 1HE2 GLN 76 -13.144 -2.467 -14.240 571 HE22 GLN 76 2HE2 GLN 76 -13.997 -1.204 -15.117 572 H VAL 77 H VAL 77 -9.155 -1.155 -8.482 573 HA VAL 77 HA VAL 77 -7.112 -1.824 -10.550 574 HB VAL 77 HB VAL 77 -6.301 -0.378 -8.016 575 HG11 VAL 77 1HG1 VAL 77 -4.617 -1.762 -9.282 576 HG12 VAL 77 2HG1 VAL 77 -4.954 -0.798 -10.733 577 HG13 VAL 77 3HG1 VAL 77 -4.230 -0.036 -9.302 578 HG21 VAL 77 3HG2 VAL 77 -6.834 0.874 -10.737 579 HG22 VAL 77 1HG2 VAL 77 -7.596 1.282 -9.183 580 HG23 VAL 77 2HG2 VAL 77 -5.894 1.634 -9.432 581 H VAL 78 H VAL 78 -8.411 -3.802 -9.946 582 HA VAL 78 HA VAL 78 -8.002 -4.930 -7.316 583 HB VAL 78 HB VAL 78 -10.066 -5.001 -8.732 584 HG11 VAL 78 1HG1 VAL 78 -10.409 -6.813 -10.301 585 HG12 VAL 78 2HG1 VAL 78 -9.061 -5.808 -10.854 586 HG13 VAL 78 3HG1 VAL 78 -8.743 -7.382 -10.087 587 HG21 VAL 78 3HG2 VAL 78 -9.216 -7.686 -7.602 588 HG22 VAL 78 1HG2 VAL 78 -9.832 -6.312 -6.655 589 HG23 VAL 78 2HG2 VAL 78 -10.868 -7.096 -7.857 590 H SER 79 H SER 79 -6.116 -5.161 -10.125 591 HA SER 79 HA SER 79 -5.119 -7.843 -9.932 592 HB2 SER 79 2HB SER 79 -4.928 -6.347 -11.928 593 HB3 SER 79 3HB SER 79 -3.654 -5.448 -11.075 594 HG SER 79 HG SER 79 -2.887 -7.171 -12.477 595 H ILE 80 H ILE 80 -2.953 -8.560 -9.299 596 HA ILE 80 HA ILE 80 -2.281 -7.329 -6.675 597 HB ILE 80 HB ILE 80 -2.671 -10.308 -7.136 598 HG12 ILE 80 2HG1 ILE 80 -4.795 -8.453 -5.973 599 HG13 ILE 80 3HG1 ILE 80 -4.845 -9.143 -7.600 600 HG21 ILE 80 1HG2 ILE 80 -1.345 -9.616 -5.109 601 HG22 ILE 80 2HG2 ILE 80 -2.749 -8.668 -4.568 602 HG23 ILE 80 3HG2 ILE 80 -2.830 -10.438 -4.687 603 HD11 ILE 80 3HD1 ILE 80 -6.251 -10.482 -6.270 604 HD12 ILE 80 1HD1 ILE 80 -4.804 -11.426 -6.664 605 HD13 ILE 80 2HD1 ILE 80 -5.004 -10.731 -5.036 606 HA PRO 81 HA PRO 81 -0.845 -7.213 -5.070 607 HB2 PRO 81 2HB PRO 81 1.536 -6.049 -4.465 608 HB3 PRO 81 3HB PRO 81 1.147 -7.733 -4.020 609 HG2 PRO 81 2HG PRO 81 2.716 -6.760 -6.429 610 HG3 PRO 81 3HG PRO 81 3.174 -8.040 -5.269 611 HD2 PRO 81 2HD PRO 81 1.993 -8.644 -7.649 612 HD3 PRO 81 3HD PRO 81 1.591 -9.553 -6.164 613 H THR 82 H THR 82 -1.458 -5.048 -5.011 614 HA THR 82 HA THR 82 -0.292 -3.183 -7.051 615 HB THR 82 HB THR 82 -3.175 -3.381 -6.194 616 HG1 THR 82 HG1 THR 82 -2.856 -4.273 -8.074 617 HG21 THR 82 3HG2 THR 82 -2.659 -1.022 -5.805 618 HG22 THR 82 1HG2 THR 82 -3.539 -1.189 -7.308 619 HG23 THR 82 2HG2 THR 82 -1.774 -0.930 -7.344 620 H LEU 83 H LEU 83 0.885 -1.680 -6.170 621 HA LEU 83 HA LEU 83 0.405 -0.816 -3.334 622 HB2 LEU 83 2HB LEU 83 2.862 -0.632 -5.108 623 HB3 LEU 83 3HB LEU 83 2.673 0.228 -3.599 624 HG LEU 83 HG LEU 83 2.529 -1.935 -2.374 625 HD11 LEU 83 1HD1 LEU 83 3.434 -3.981 -3.518 626 HD12 LEU 83 2HD1 LEU 83 3.233 -3.162 -5.085 627 HD13 LEU 83 3HD1 LEU 83 1.826 -3.547 -4.062 628 HD21 LEU 83 3HD2 LEU 83 4.984 -1.588 -4.152 629 HD22 LEU 83 1HD2 LEU 83 4.938 -2.421 -2.584 630 HD23 LEU 83 2HD2 LEU 83 4.646 -0.678 -2.664 631 H ILE 84 H ILE 84 -0.730 1.035 -3.209 632 HA ILE 84 HA ILE 84 -0.405 3.081 -5.357 633 HB ILE 84 HB ILE 84 -2.568 2.163 -5.643 634 HG12 ILE 84 2HG1 ILE 84 -2.842 4.850 -4.224 635 HG13 ILE 84 3HG1 ILE 84 -2.158 4.638 -5.835 636 HG21 ILE 84 1HG2 ILE 84 -2.985 1.157 -3.432 637 HG22 ILE 84 2HG2 ILE 84 -3.160 2.770 -2.716 638 HG23 ILE 84 3HG2 ILE 84 -4.329 2.179 -3.913 639 HD11 ILE 84 3HD1 ILE 84 -4.432 5.358 -6.037 640 HD12 ILE 84 1HD1 ILE 84 -4.307 3.689 -6.630 641 HD13 ILE 84 2HD1 ILE 84 -5.019 4.024 -5.030 642 H LEU 85 H LEU 85 0.215 5.019 -4.779 643 HA LEU 85 HA LEU 85 0.503 5.629 -1.864 644 HB2 LEU 85 2HB LEU 85 2.619 5.368 -3.234 645 HB3 LEU 85 3HB LEU 85 2.048 6.710 -4.229 646 HG LEU 85 HG LEU 85 2.033 8.145 -2.125 647 HD11 LEU 85 1HD1 LEU 85 2.108 6.359 -0.436 648 HD12 LEU 85 2HD1 LEU 85 3.477 7.458 -0.281 649 HD13 LEU 85 3HD1 LEU 85 3.708 5.860 -1.024 650 HD21 LEU 85 3HD2 LEU 85 4.491 8.482 -2.202 651 HD22 LEU 85 1HD2 LEU 85 3.785 8.327 -3.824 652 HD23 LEU 85 2HD2 LEU 85 4.662 6.964 -3.104 653 H PHE 86 H PHE 86 -0.692 7.189 -1.081 654 HA PHE 86 HA PHE 86 -1.831 9.307 -2.844 655 HB2 PHE 86 2HB PHE 86 -2.703 8.481 -0.068 656 HB3 PHE 86 3HB PHE 86 -3.438 9.718 -1.060 657 HD1 PHE 86 HD2 PHE 86 -2.904 6.044 -0.711 658 HD2 PHE 86 HD1 PHE 86 -5.100 9.162 -2.724 659 HE1 PHE 86 HE2 PHE 86 -4.480 4.358 -1.615 660 HE2 PHE 86 HE1 PHE 86 -6.667 7.468 -3.636 661 HZ PHE 86 HZ PHE 86 -6.364 5.064 -3.081 662 H LYS 87 H LYS 87 -1.579 11.464 -2.208 663 HA LYS 87 HA LYS 87 -0.060 12.068 0.259 664 HB2 LYS 87 2HB LYS 87 1.457 12.133 -1.764 665 HB3 LYS 87 3HB LYS 87 0.498 13.510 -2.348 666 HG2 LYS 87 2HG LYS 87 1.148 14.838 -0.409 667 HG3 LYS 87 3HG LYS 87 1.942 13.435 0.334 668 HD2 LYS 87 2HD LYS 87 3.469 13.300 -1.669 669 HD3 LYS 87 3HD LYS 87 2.761 14.789 -2.288 670 HE2 LYS 87 2HE LYS 87 4.219 14.500 0.385 671 HE3 LYS 87 3HE LYS 87 4.972 15.038 -1.115 672 HZ1 LYS 87 3HZ LYS 87 4.303 16.933 0.231 673 HZ2 LYS 87 1HZ LYS 87 2.745 16.454 0.266 674 HZ3 LYS 87 2HZ LYS 87 3.428 16.933 -1.143 675 H ASP 88 H ASP 88 -1.073 13.640 1.427 676 HA ASP 88 HA ASP 88 -2.869 14.802 2.145 677 HB2 ASP 88 2HB ASP 88 -1.610 16.512 0.838 678 HB3 ASP 88 3HB ASP 88 -2.713 16.250 -0.509 679 H GLY 89 H GLY 89 -3.591 12.316 1.258 680 HA2 GLY 89 2HA GLY 89 -5.357 11.002 0.770 681 HA3 GLY 89 3HA GLY 89 -6.405 12.408 0.925 682 H GLN 90 H GLN 90 -3.995 12.625 -1.589 683 HA GLN 90 HA GLN 90 -5.987 11.883 -3.701 684 HB2 GLN 90 2HB GLN 90 -3.998 14.173 -3.543 685 HB3 GLN 90 3HB GLN 90 -4.853 13.730 -5.021 686 HG2 GLN 90 2HG GLN 90 -6.931 14.449 -4.229 687 HG3 GLN 90 3HG GLN 90 -6.495 14.267 -2.535 688 HE21 GLN 90 1HE2 GLN 90 -5.268 15.908 -1.448 689 HE22 GLN 90 2HE2 GLN 90 -5.097 17.500 -2.169 690 HA PRO 91 HA PRO 91 -2.901 8.980 -4.824 691 HB2 PRO 91 2HB PRO 91 -3.503 8.338 -7.418 692 HB3 PRO 91 3HB PRO 91 -4.514 7.885 -6.010 693 HG2 PRO 91 2HG PRO 91 -4.864 10.269 -7.859 694 HG3 PRO 91 3HG PRO 91 -6.102 9.079 -7.342 695 HD2 PRO 91 2HD PRO 91 -5.847 11.483 -6.104 696 HD3 PRO 91 3HD PRO 91 -6.215 10.003 -5.166 697 H VAL 92 H VAL 92 -0.870 8.845 -5.520 698 HA VAL 92 HA VAL 92 0.277 10.947 -7.331 699 HB VAL 92 HB VAL 92 1.397 9.902 -4.699 700 HG11 VAL 92 1HG1 VAL 92 2.572 11.894 -6.691 701 HG12 VAL 92 2HG1 VAL 92 3.177 11.623 -5.044 702 HG13 VAL 92 3HG1 VAL 92 3.269 10.324 -6.227 703 HG21 VAL 92 3HG2 VAL 92 1.242 12.362 -4.113 704 HG22 VAL 92 1HG2 VAL 92 0.309 12.614 -5.595 705 HG23 VAL 92 2HG2 VAL 92 -0.327 11.569 -4.304 706 H LYS 93 H LYS 93 0.611 7.565 -6.183 707 HA LYS 93 HA LYS 93 1.917 6.890 -8.765 708 HB2 LYS 93 2HB LYS 93 3.072 6.122 -6.043 709 HB3 LYS 93 3HB LYS 93 3.499 5.316 -7.527 710 HG2 LYS 93 2HG LYS 93 4.044 8.254 -6.964 711 HG3 LYS 93 3HG LYS 93 5.177 6.920 -6.766 712 HD2 LYS 93 2HD LYS 93 4.816 6.378 -9.256 713 HD3 LYS 93 3HD LYS 93 3.937 7.908 -9.366 714 HE2 LYS 93 2HE LYS 93 6.156 8.355 -10.080 715 HE3 LYS 93 3HE LYS 93 5.995 9.082 -8.477 716 HZ1 LYS 93 3HZ LYS 93 8.083 7.808 -8.759 717 HZ2 LYS 93 1HZ LYS 93 7.246 6.427 -9.032 718 HZ3 LYS 93 2HZ LYS 93 7.182 7.154 -7.560 719 H ARG 94 H ARG 94 1.542 4.835 -9.478 720 HA ARG 94 HA ARG 94 0.400 2.842 -7.620 721 HB2 ARG 94 2HB ARG 94 -1.506 3.680 -8.896 722 HB3 ARG 94 3HB ARG 94 -0.717 3.288 -10.420 723 HG2 ARG 94 2HG ARG 94 -1.143 1.120 -8.334 724 HG3 ARG 94 3HG ARG 94 -2.508 1.677 -9.301 725 HD2 ARG 94 2HD ARG 94 -1.389 1.111 -11.373 726 HD3 ARG 94 3HD ARG 94 0.066 0.592 -10.521 727 HE ARG 94 HE ARG 94 -1.571 -1.094 -9.356 728 HH11 ARG 94 1HH1 ARG 94 -1.681 -0.259 -12.765 729 HH12 ARG 94 2HH1 ARG 94 -2.416 -1.776 -13.192 730 HH21 ARG 94 1HH2 ARG 94 -2.512 -2.958 -9.954 731 HH22 ARG 94 2HH2 ARG 94 -2.857 -3.273 -11.644 732 H ILE 95 H ILE 95 1.339 0.949 -7.700 733 HA ILE 95 HA ILE 95 3.200 0.204 -9.912 734 HB ILE 95 HB ILE 95 3.752 -0.499 -7.030 735 HG12 ILE 95 2HG1 ILE 95 4.874 2.010 -8.343 736 HG13 ILE 95 3HG1 ILE 95 3.672 1.993 -7.047 737 HG21 ILE 95 1HG2 ILE 95 5.570 -0.211 -9.450 738 HG22 ILE 95 2HG2 ILE 95 6.035 -0.820 -7.845 739 HG23 ILE 95 3HG2 ILE 95 4.911 -1.743 -8.823 740 HD11 ILE 95 3HD1 ILE 95 5.299 0.799 -5.566 741 HD12 ILE 95 1HD1 ILE 95 6.551 1.091 -6.801 742 HD13 ILE 95 2HD1 ILE 95 5.743 2.454 -6.017 743 H VAL 96 H VAL 96 3.190 -2.042 -10.407 744 HA VAL 96 HA VAL 96 1.651 -3.844 -8.678 745 HB VAL 96 HB VAL 96 -0.074 -3.493 -10.112 746 HG11 VAL 96 1HG1 VAL 96 0.088 -3.490 -12.621 747 HG12 VAL 96 2HG1 VAL 96 1.006 -2.176 -11.892 748 HG13 VAL 96 3HG1 VAL 96 1.852 -3.625 -12.484 749 HG21 VAL 96 3HG2 VAL 96 1.227 -5.892 -11.433 750 HG22 VAL 96 1HG2 VAL 96 0.290 -5.912 -9.917 751 HG23 VAL 96 2HG2 VAL 96 -0.491 -5.459 -11.427 752 H GLY 97 H GLY 97 2.210 -5.975 -8.686 753 HA2 GLY 97 2HA GLY 97 3.600 -7.834 -8.983 754 HA3 GLY 97 3HA GLY 97 4.508 -6.983 -10.225 755 H ALA 98 H ALA 98 5.842 -8.531 -8.399 756 HA ALA 98 HA ALA 98 6.559 -7.356 -5.954 757 HB1 ALA 98 3HB ALA 98 8.443 -8.962 -5.981 758 HB2 ALA 98 1HB ALA 98 6.928 -9.718 -6.490 759 HB3 ALA 98 2HB ALA 98 8.150 -9.278 -7.704 760 H LYS 99 H LYS 99 8.312 -6.226 -5.197 761 HA LYS 99 HA LYS 99 10.302 -5.035 -7.045 762 HB2 LYS 99 2HB LYS 99 8.709 -3.454 -4.973 763 HB3 LYS 99 3HB LYS 99 10.067 -2.824 -5.902 764 HG2 LYS 99 2HG LYS 99 7.392 -3.724 -7.037 765 HG3 LYS 99 3HG LYS 99 7.841 -2.059 -6.697 766 HD2 LYS 99 2HD LYS 99 9.481 -1.975 -8.393 767 HD3 LYS 99 3HD LYS 99 9.553 -3.717 -8.581 768 HE2 LYS 99 2HE LYS 99 7.214 -1.944 -9.378 769 HE3 LYS 99 3HE LYS 99 8.414 -2.651 -10.453 770 HZ1 LYS 99 3HZ LYS 99 6.465 -4.203 -8.827 771 HZ2 LYS 99 1HZ LYS 99 7.645 -4.868 -9.723 772 HZ3 LYS 99 2HZ LYS 99 6.424 -4.024 -10.447 773 H GLY 100 H GLY 100 12.301 -4.664 -6.105 774 HA2 GLY 100 2HA GLY 100 12.836 -5.787 -3.408 775 HA3 GLY 100 3HA GLY 100 14.030 -5.294 -4.607 776 H LYS 101 H LYS 101 14.211 -4.460 -1.987 777 HA LYS 101 HA LYS 101 13.175 -1.994 -1.212 778 HB2 LYS 101 2HB LYS 101 14.800 -3.591 0.009 779 HB3 LYS 101 3HB LYS 101 16.091 -2.800 -0.866 780 HG2 LYS 101 2HG LYS 101 15.992 -1.858 1.303 781 HG3 LYS 101 3HG LYS 101 15.457 -0.612 0.176 782 HD2 LYS 101 2HD LYS 101 13.104 -1.019 0.776 783 HD3 LYS 101 3HD LYS 101 13.566 -2.383 1.804 784 HE2 LYS 101 2HE LYS 101 14.330 0.542 2.253 785 HE3 LYS 101 3HE LYS 101 13.046 -0.345 3.072 786 HZ1 LYS 101 3HZ LYS 101 15.948 -0.905 3.291 787 HZ2 LYS 101 1HZ LYS 101 14.810 -1.927 3.871 788 HZ3 LYS 101 2HZ LYS 101 14.952 -0.412 4.491 789 H ALA 102 H ALA 102 15.771 -2.446 -3.512 790 HA ALA 102 HA ALA 102 16.477 0.347 -3.714 791 HB1 ALA 102 3HB ALA 102 17.641 -0.335 -5.782 792 HB2 ALA 102 1HB ALA 102 17.977 -1.454 -4.447 793 HB3 ALA 102 2HB ALA 102 16.836 -1.918 -5.729 794 H ALA 103 H ALA 103 14.378 -1.670 -5.871 795 HA ALA 103 HA ALA 103 13.616 0.575 -7.495 796 HB1 ALA 103 3HB ALA 103 13.642 -1.759 -8.306 797 HB2 ALA 103 1HB ALA 103 12.333 -2.181 -7.175 798 HB3 ALA 103 2HB ALA 103 12.034 -1.036 -8.501 799 H LEU 104 H LEU 104 11.901 -1.116 -4.774 800 HA LEU 104 HA LEU 104 9.567 0.510 -4.992 801 HB2 LEU 104 2HB LEU 104 9.593 -1.633 -3.780 802 HB3 LEU 104 3HB LEU 104 10.680 -0.963 -2.565 803 HG LEU 104 HG LEU 104 8.968 0.586 -1.792 804 HD11 LEU 104 1HD1 LEU 104 7.203 -0.536 -4.011 805 HD12 LEU 104 2HD1 LEU 104 7.777 1.141 -3.867 806 HD13 LEU 104 3HD1 LEU 104 6.645 0.514 -2.684 807 HD21 LEU 104 3HD2 LEU 104 8.883 -1.679 -0.857 808 HD22 LEU 104 1HD2 LEU 104 7.791 -2.197 -2.159 809 HD23 LEU 104 2HD2 LEU 104 7.266 -0.987 -0.967 810 H LEU 105 H LEU 105 12.599 0.917 -2.978 811 HA LEU 105 HA LEU 105 11.635 3.363 -1.872 812 HB2 LEU 105 2HB LEU 105 13.532 2.201 -0.845 813 HB3 LEU 105 3HB LEU 105 14.531 2.587 -2.253 814 HG LEU 105 HG LEU 105 14.326 5.021 -1.772 815 HD11 LEU 105 1HD1 LEU 105 13.378 5.789 0.393 816 HD12 LEU 105 2HD1 LEU 105 12.748 4.158 0.702 817 HD13 LEU 105 3HD1 LEU 105 12.115 5.136 -0.643 818 HD21 LEU 105 3HD2 LEU 105 15.136 3.359 0.641 819 HD22 LEU 105 1HD2 LEU 105 15.645 5.019 0.276 820 HD23 LEU 105 2HD2 LEU 105 16.141 3.701 -0.789 821 H ARG 106 H ARG 106 13.410 2.845 -5.059 822 HA ARG 106 HA ARG 106 13.640 5.688 -5.435 823 HB2 ARG 106 2HB ARG 106 13.467 3.492 -7.519 824 HB3 ARG 106 3HB ARG 106 13.739 5.190 -7.895 825 HG2 ARG 106 2HG ARG 106 15.584 3.338 -6.377 826 HG3 ARG 106 3HG ARG 106 15.854 4.107 -7.921 827 HD2 ARG 106 2HD ARG 106 15.770 5.426 -5.174 828 HD3 ARG 106 3HD ARG 106 17.192 5.149 -6.156 829 HE ARG 106 HE ARG 106 15.343 7.372 -6.345 830 HH11 ARG 106 1HH1 ARG 106 17.506 5.480 -8.371 831 HH12 ARG 106 2HH1 ARG 106 17.766 6.803 -9.473 832 HH21 ARG 106 1HH2 ARG 106 15.886 9.056 -7.704 833 HH22 ARG 106 2HH2 ARG 106 16.828 8.740 -9.133 834 H GLU 107 H GLU 107 11.051 3.493 -6.474 835 HA GLU 107 HA GLU 107 9.365 5.453 -7.664 836 HB2 GLU 107 2HB GLU 107 8.755 2.817 -6.297 837 HB3 GLU 107 3HB GLU 107 7.501 3.814 -7.026 838 HG2 GLU 107 2HG GLU 107 9.920 2.678 -8.484 839 HG3 GLU 107 3HG GLU 107 8.276 2.053 -8.546 840 H LEU 108 H LEU 108 9.705 4.568 -4.231 841 HA LEU 108 HA LEU 108 7.723 6.577 -3.381 842 HB2 LEU 108 2HB LEU 108 9.704 4.864 -1.840 843 HB3 LEU 108 3HB LEU 108 8.458 5.875 -1.113 844 HG LEU 108 HG LEU 108 7.876 3.534 -2.988 845 HD11 LEU 108 1HD1 LEU 108 7.668 3.711 0.034 846 HD12 LEU 108 2HD1 LEU 108 8.935 2.835 -0.851 847 HD13 LEU 108 3HD1 LEU 108 7.255 2.304 -0.970 848 HD21 LEU 108 3HD2 LEU 108 6.042 5.188 -1.221 849 HD22 LEU 108 1HD2 LEU 108 5.583 3.715 -2.113 850 HD23 LEU 108 2HD2 LEU 108 6.065 5.152 -3.003 851 H SER 109 H SER 109 11.200 6.515 -3.849 852 HA SER 109 HA SER 109 11.947 8.657 -2.191 853 HB2 SER 109 2HB SER 109 14.010 8.733 -3.163 854 HB3 SER 109 3HB SER 109 13.573 7.056 -3.218 855 HG SER 109 HG SER 109 12.818 7.624 -5.484 856 H ASP 110 H ASP 110 10.590 8.522 -5.463 857 HA ASP 110 HA ASP 110 10.736 11.297 -6.172 858 HB2 ASP 110 2HB ASP 110 8.527 9.263 -6.610 859 HB3 ASP 110 3HB ASP 110 8.512 10.877 -7.314 860 H VAL 111 H VAL 111 8.884 9.894 -3.536 861 HA VAL 111 HA VAL 111 7.701 12.549 -2.855 862 HB VAL 111 HB VAL 111 6.802 9.703 -2.283 863 HG11 VAL 111 1HG1 VAL 111 4.851 10.739 -1.112 864 HG12 VAL 111 2HG1 VAL 111 6.372 10.891 -0.230 865 HG13 VAL 111 3HG1 VAL 111 5.720 12.292 -1.117 866 HG21 VAL 111 3HG2 VAL 111 5.538 12.077 -3.731 867 HG22 VAL 111 1HG2 VAL 111 6.135 10.577 -4.477 868 HG23 VAL 111 2HG2 VAL 111 4.723 10.535 -3.420 869 H VAL 112 H VAL 112 9.898 10.058 -1.835 870 HA VAL 112 HA VAL 112 10.583 11.532 0.685 871 HB VAL 112 HB VAL 112 11.354 8.680 -0.046 872 HG11 VAL 112 1HG1 VAL 112 11.844 8.537 2.389 873 HG12 VAL 112 2HG1 VAL 112 12.852 9.752 1.607 874 HG13 VAL 112 3HG1 VAL 112 11.448 10.260 2.567 875 HG21 VAL 112 3HG2 VAL 112 9.660 8.026 1.693 876 HG22 VAL 112 1HG2 VAL 112 9.047 9.697 1.657 877 HG23 VAL 112 2HG2 VAL 112 8.946 8.673 0.218 878 HA PRO 113 HA PRO 113 13.707 12.599 -2.590 879 HB2 PRO 113 2HB PRO 113 14.072 15.238 -1.952 880 HB3 PRO 113 3HB PRO 113 12.714 14.646 -2.955 881 HG2 PRO 113 2HG PRO 113 12.707 15.185 0.040 882 HG3 PRO 113 3HG PRO 113 11.553 15.795 -1.195 883 HD2 PRO 113 2HD PRO 113 10.960 13.610 0.250 884 HD3 PRO 113 3HD PRO 113 10.608 13.649 -1.507 885 H ASN 114 H ASN 114 13.685 12.634 0.849 886 HA ASN 114 HA ASN 114 16.386 13.338 1.461 887 HB2 ASN 114 2HB ASN 114 14.445 11.417 2.841 888 HB3 ASN 114 3HB ASN 114 15.920 12.059 3.556 889 HD21 ASN 114 1HD2 ASN 114 15.983 14.301 4.212 890 HD22 ASN 114 2HD2 ASN 114 14.497 15.236 4.296 891 H LEU 115 H LEU 115 15.084 10.403 -0.004 892 HA LEU 115 HA LEU 115 17.793 9.146 0.056 893 HB2 LEU 115 2HB LEU 115 15.091 7.780 0.319 894 HB3 LEU 115 3HB LEU 115 16.660 6.973 0.240 895 HG LEU 115 HG LEU 115 15.844 8.859 2.493 896 HD11 LEU 115 1HD1 LEU 115 15.914 5.820 2.439 897 HD12 LEU 115 2HD1 LEU 115 14.449 6.834 2.472 898 HD13 LEU 115 3HD1 LEU 115 15.572 6.850 3.840 899 HD21 LEU 115 3HD2 LEU 115 17.764 7.845 3.676 900 HD22 LEU 115 1HD2 LEU 115 18.302 8.669 2.211 901 HD23 LEU 115 2HD2 LEU 115 18.171 6.898 2.228 902 H ASN 116 H ASN 116 16.583 10.897 -1.984 903 HA ASN 116 HA ASN 116 16.159 9.064 -4.294 904 HB2 ASN 116 2HB ASN 116 14.456 10.812 -3.655 905 HB3 ASN 116 3HB ASN 116 15.612 12.050 -4.121 906 HD21 ASN 116 2HD2 ASN 116 12.985 11.579 -5.215 907 HD22 ASN 116 1HD2 ASN 116 13.226 11.229 -6.922 Start of MODEL 17 1 H1 MET 1 1H MET 1 7.784 -2.668 18.836 2 H2 MET 1 2H MET 1 7.077 -3.511 20.052 3 HA MET 1 HA MET 1 8.788 -2.087 20.954 4 HB2 MET 1 2HB MET 1 9.643 -5.022 21.009 5 HB3 MET 1 3HB MET 1 10.157 -3.770 22.135 6 HG2 MET 1 2HG MET 1 7.344 -4.858 21.825 7 HG3 MET 1 3HG MET 1 8.458 -5.114 23.160 8 HE1 MET 1 3HE MET 1 5.451 -4.239 23.580 9 HE2 MET 1 1HE MET 1 6.608 -4.484 24.910 10 HE3 MET 1 2HE MET 1 5.637 -2.997 24.839 11 H THR 2 H THR 2 11.433 -2.288 21.255 12 HA THR 2 HA THR 2 12.518 -1.457 18.674 13 HB THR 2 HB THR 2 14.634 -1.186 20.037 14 HG1 THR 2 HG1 THR 2 14.388 -1.356 22.273 15 HG21 THR 2 3HG2 THR 2 13.029 0.682 19.716 16 HG22 THR 2 1HG2 THR 2 13.821 0.750 21.298 17 HG23 THR 2 2HG2 THR 2 12.145 0.173 21.172 18 H ASP 3 H ASP 3 12.938 -4.307 20.768 19 HA ASP 3 HA ASP 3 14.995 -5.467 19.024 20 HB2 ASP 3 2HB ASP 3 15.059 -5.575 21.502 21 HB3 ASP 3 3HB ASP 3 13.594 -6.559 21.490 22 H SER 4 H SER 4 11.528 -5.861 19.437 23 HA SER 4 HA SER 4 11.369 -7.712 17.152 24 HB2 SER 4 2HB SER 4 9.924 -9.296 18.365 25 HB3 SER 4 3HB SER 4 11.561 -9.249 19.034 26 HG SER 4 HG SER 4 9.965 -9.214 20.679 27 H GLU 5 H GLU 5 9.241 -7.860 16.239 28 HA GLU 5 HA GLU 5 7.484 -6.794 15.278 29 HB2 GLU 5 2HB GLU 5 6.552 -7.820 17.391 30 HB3 GLU 5 3HB GLU 5 6.534 -6.207 18.094 31 HG2 GLU 5 2HG GLU 5 5.037 -5.470 16.286 32 HG3 GLU 5 3HG GLU 5 5.125 -7.075 15.574 33 H LYS 6 H LYS 6 9.523 -5.273 14.926 34 HA LYS 6 HA LYS 6 9.220 -2.573 16.002 35 HB2 LYS 6 2HB LYS 6 11.343 -2.124 14.837 36 HB3 LYS 6 3HB LYS 6 11.397 -3.464 15.957 37 HG2 LYS 6 2HG LYS 6 12.712 -3.837 13.915 38 HG3 LYS 6 3HG LYS 6 11.510 -5.093 14.190 39 HD2 LYS 6 2HD LYS 6 10.122 -4.313 12.409 40 HD3 LYS 6 3HD LYS 6 10.991 -2.763 12.311 41 HE2 LYS 6 2HE LYS 6 12.987 -3.881 11.485 42 HE3 LYS 6 3HE LYS 6 12.223 -5.471 11.649 43 HZ1 LYS 6 3HZ LYS 6 12.160 -4.332 9.360 44 HZ2 LYS 6 1HZ LYS 6 11.015 -3.353 9.980 45 HZ3 LYS 6 2HZ LYS 6 10.744 -4.982 9.904 46 H SER 7 H SER 7 7.623 -3.904 13.471 47 HA SER 7 HA SER 7 7.998 -1.963 11.388 48 HB2 SER 7 2HB SER 7 7.141 -4.265 11.021 49 HB3 SER 7 3HB SER 7 5.633 -3.812 11.848 50 HG SER 7 HG SER 7 5.263 -3.456 9.712 51 H ALA 8 H ALA 8 6.532 -0.442 10.558 52 HA ALA 8 HA ALA 8 4.667 0.827 12.512 53 HB1 ALA 8 3HB ALA 8 6.038 2.153 10.161 54 HB2 ALA 8 1HB ALA 8 5.072 2.931 11.425 55 HB3 ALA 8 2HB ALA 8 6.638 2.207 11.837 56 H THR 9 H THR 9 4.211 -1.470 10.422 57 HA THR 9 HA THR 9 2.427 -0.287 8.483 58 HB THR 9 HB THR 9 1.783 -2.698 8.008 59 HG1 THR 9 HG1 THR 9 3.069 -4.262 8.896 60 HG21 THR 9 3HG2 THR 9 3.879 -3.205 6.865 61 HG22 THR 9 1HG2 THR 9 4.738 -2.001 7.846 62 HG23 THR 9 2HG2 THR 9 3.487 -1.487 6.697 63 H ILE 10 H ILE 10 0.228 -0.536 8.211 64 HA ILE 10 HA ILE 10 -1.429 -1.423 10.532 65 HB ILE 10 HB ILE 10 -2.984 0.406 10.151 66 HG12 ILE 10 2HG1 ILE 10 -0.960 1.590 8.201 67 HG13 ILE 10 3HG1 ILE 10 -2.483 0.822 7.740 68 HG21 ILE 10 1HG2 ILE 10 -0.188 1.515 10.623 69 HG22 ILE 10 2HG2 ILE 10 -1.725 2.145 11.251 70 HG23 ILE 10 3HG2 ILE 10 -1.119 0.586 11.818 71 HD11 ILE 10 3HD1 ILE 10 -2.765 3.206 7.690 72 HD12 ILE 10 1HD1 ILE 10 -3.737 2.545 9.020 73 HD13 ILE 10 2HD1 ILE 10 -2.196 3.377 9.356 74 H LYS 11 H LYS 11 -3.655 -2.005 9.982 75 HA LYS 11 HA LYS 11 -4.005 -2.942 7.148 76 HB2 LYS 11 2HB LYS 11 -5.260 -4.006 9.703 77 HB3 LYS 11 3HB LYS 11 -5.714 -4.488 8.062 78 HG2 LYS 11 2HG LYS 11 -3.391 -5.279 7.646 79 HG3 LYS 11 3HG LYS 11 -2.958 -4.853 9.314 80 HD2 LYS 11 2HD LYS 11 -4.678 -6.458 10.156 81 HD3 LYS 11 3HD LYS 11 -5.118 -6.844 8.490 82 HE2 LYS 11 2HE LYS 11 -3.714 -8.607 9.238 83 HE3 LYS 11 3HE LYS 11 -2.781 -7.657 8.080 84 HZ1 LYS 11 3HZ LYS 11 -1.654 -6.597 9.975 85 HZ2 LYS 11 1HZ LYS 11 -1.488 -8.215 10.072 86 HZ3 LYS 11 2HZ LYS 11 -2.552 -7.453 11.042 87 H VAL 12 H VAL 12 -5.794 -2.419 6.028 88 HA VAL 12 HA VAL 12 -7.875 -0.679 7.260 89 HB VAL 12 HB VAL 12 -7.960 0.709 5.231 90 HG11 VAL 12 1HG1 VAL 12 -6.777 1.463 7.273 91 HG12 VAL 12 2HG1 VAL 12 -5.254 0.820 6.625 92 HG13 VAL 12 3HG1 VAL 12 -6.081 2.147 5.795 93 HG21 VAL 12 3HG2 VAL 12 -6.773 -0.802 3.634 94 HG22 VAL 12 1HG2 VAL 12 -6.103 0.836 3.668 95 HG23 VAL 12 2HG2 VAL 12 -5.254 -0.483 4.492 96 H THR 13 H THR 13 -9.873 -0.651 6.185 97 HA THR 13 HA THR 13 -10.578 -3.024 4.485 98 HB THR 13 HB THR 13 -12.411 -3.539 5.988 99 HG1 THR 13 HG1 THR 13 -12.560 -2.449 7.995 100 HG21 THR 13 3HG2 THR 13 -9.943 -3.301 7.749 101 HG22 THR 13 1HG2 THR 13 -10.199 -4.586 6.548 102 HG23 THR 13 2HG2 THR 13 -11.303 -4.428 7.927 103 H ASP 14 H ASP 14 -12.816 -2.992 3.780 104 HA ASP 14 HA ASP 14 -13.364 -0.586 2.391 105 HB2 ASP 14 2HB ASP 14 -15.233 -1.707 1.550 106 HB3 ASP 14 3HB ASP 14 -13.977 -2.900 1.704 107 H ALA 15 H ALA 15 -14.228 -1.462 5.631 108 HA ALA 15 HA ALA 15 -16.286 0.616 5.932 109 HB1 ALA 15 3HB ALA 15 -14.970 -1.253 7.946 110 HB2 ALA 15 1HB ALA 15 -16.392 -0.228 8.233 111 HB3 ALA 15 2HB ALA 15 -16.489 -1.563 7.071 112 H SER 16 H SER 16 -12.832 0.596 6.046 113 HA SER 16 HA SER 16 -12.756 2.998 7.845 114 HB2 SER 16 2HB SER 16 -10.724 2.091 8.840 115 HB3 SER 16 3HB SER 16 -12.099 1.004 9.074 116 HG SER 16 HG SER 16 -11.280 -0.409 7.667 117 H PHE 17 H PHE 17 -11.691 1.802 4.778 118 HA PHE 17 HA PHE 17 -9.173 2.880 4.485 119 HB2 PHE 17 2HB PHE 17 -10.552 1.419 2.909 120 HB3 PHE 17 3HB PHE 17 -11.303 2.885 2.312 121 HD1 PHE 17 HD2 PHE 17 -9.739 4.676 1.219 122 HD2 PHE 17 HD1 PHE 17 -8.502 0.640 2.099 123 HE1 PHE 17 HE2 PHE 17 -7.884 4.878 -0.424 124 HE2 PHE 17 HE1 PHE 17 -6.745 0.806 0.366 125 HZ PHE 17 HZ PHE 17 -6.410 2.933 -0.877 126 H ALA 18 H ALA 18 -12.261 4.674 4.010 127 HA ALA 18 HA ALA 18 -10.986 7.057 3.107 128 HB1 ALA 18 3HB ALA 18 -13.347 6.549 2.682 129 HB2 ALA 18 1HB ALA 18 -13.706 6.675 4.422 130 HB3 ALA 18 2HB ALA 18 -13.179 8.107 3.511 131 H THR 19 H THR 19 -11.808 5.933 6.372 132 HA THR 19 HA THR 19 -11.125 8.426 7.703 133 HB THR 19 HB THR 19 -11.427 5.694 9.007 134 HG1 THR 19 HG1 THR 19 -13.649 6.104 9.066 135 HG21 THR 19 3HG2 THR 19 -12.171 8.516 9.912 136 HG22 THR 19 1HG2 THR 19 -10.863 7.505 10.569 137 HG23 THR 19 2HG2 THR 19 -12.543 7.024 10.809 138 H ASP 20 H ASP 20 -9.273 5.588 6.813 139 HA ASP 20 HA ASP 20 -7.001 6.491 8.542 140 HB2 ASP 20 2HB ASP 20 -7.805 3.818 7.396 141 HB3 ASP 20 3HB ASP 20 -6.153 4.130 7.914 142 H VAL 21 H VAL 21 -7.761 5.894 5.112 143 HA VAL 21 HA VAL 21 -4.961 6.618 4.363 144 HB VAL 21 HB VAL 21 -7.135 5.562 2.531 145 HG11 VAL 21 1HG1 VAL 21 -5.310 5.053 1.040 146 HG12 VAL 21 2HG1 VAL 21 -5.244 6.768 1.438 147 HG13 VAL 21 3HG1 VAL 21 -4.115 5.631 2.216 148 HG21 VAL 21 3HG2 VAL 21 -6.676 3.832 4.217 149 HG22 VAL 21 1HG2 VAL 21 -5.996 3.383 2.662 150 HG23 VAL 21 2HG2 VAL 21 -4.925 4.007 3.940 151 H LEU 22 H LEU 22 -8.320 7.392 3.276 152 HA LEU 22 HA LEU 22 -7.347 9.652 1.764 153 HB2 LEU 22 2HB LEU 22 -10.228 9.051 2.465 154 HB3 LEU 22 3HB LEU 22 -9.638 10.064 1.159 155 HG LEU 22 HG LEU 22 -9.303 7.042 1.361 156 HD11 LEU 22 1HD1 LEU 22 -11.590 7.801 0.809 157 HD12 LEU 22 2HD1 LEU 22 -10.818 6.981 -0.557 158 HD13 LEU 22 3HD1 LEU 22 -10.944 8.754 -0.544 159 HD21 LEU 22 3HD2 LEU 22 -7.357 7.963 0.182 160 HD22 LEU 22 1HD2 LEU 22 -8.422 8.954 -0.841 161 HD23 LEU 22 2HD2 LEU 22 -8.439 7.187 -0.973 162 H SER 23 H SER 23 -8.158 9.378 5.050 163 HA SER 23 HA SER 23 -8.770 12.115 5.694 164 HB2 SER 23 2HB SER 23 -8.278 11.372 7.983 165 HB3 SER 23 3HB SER 23 -9.344 10.239 7.130 166 HG SER 23 HG SER 23 -7.750 9.062 8.132 167 H SER 24 H SER 24 -5.782 10.501 4.841 168 HA SER 24 HA SER 24 -4.080 11.761 6.736 169 HB2 SER 24 2HB SER 24 -3.747 9.521 5.722 170 HB3 SER 24 3HB SER 24 -3.321 10.302 4.184 171 HG SER 24 HG SER 24 -1.438 10.827 4.978 172 H ASN 25 H ASN 25 -3.157 13.676 6.750 173 HA ASN 25 HA ASN 25 -2.855 15.317 4.315 174 HB2 ASN 25 2HB ASN 25 -2.232 17.093 5.816 175 HB3 ASN 25 3HB ASN 25 -3.728 16.351 6.365 176 HD21 ASN 25 1HD2 ASN 25 -2.411 17.941 8.125 177 HD22 ASN 25 2HD2 ASN 25 -1.650 16.948 9.363 178 H LYS 26 H LYS 26 -0.990 13.043 6.021 179 HA LYS 26 HA LYS 26 1.578 13.918 4.764 180 HB2 LYS 26 2HB LYS 26 2.664 12.220 6.124 181 HB3 LYS 26 3HB LYS 26 1.729 13.307 7.145 182 HG2 LYS 26 2HG LYS 26 -0.074 11.633 7.318 183 HG3 LYS 26 3HG LYS 26 0.807 10.534 6.250 184 HD2 LYS 26 2HD LYS 26 1.745 11.455 8.997 185 HD3 LYS 26 3HD LYS 26 0.946 9.924 8.618 186 HE2 LYS 26 2HE LYS 26 2.880 9.532 6.937 187 HE3 LYS 26 3HE LYS 26 3.716 10.850 7.773 188 HZ1 LYS 26 3HZ LYS 26 4.337 8.769 8.830 189 HZ2 LYS 26 1HZ LYS 26 2.775 8.282 8.939 190 HZ3 LYS 26 2HZ LYS 26 3.332 9.517 9.867 191 HA PRO 27 HA PRO 27 1.087 10.881 1.565 192 HB2 PRO 27 2HB PRO 27 3.634 9.631 1.527 193 HB3 PRO 27 3HB PRO 27 3.094 11.020 0.561 194 HG2 PRO 27 2HG PRO 27 4.707 11.005 3.076 195 HG3 PRO 27 3HG PRO 27 4.765 12.157 1.722 196 HD2 PRO 27 2HD PRO 27 3.571 12.708 4.132 197 HD3 PRO 27 3HD PRO 27 2.999 13.411 2.595 198 H VAL 28 H VAL 28 0.288 8.825 1.434 199 HA VAL 28 HA VAL 28 0.951 6.859 3.552 200 HB VAL 28 HB VAL 28 -0.971 7.959 4.435 201 HG11 VAL 28 1HG1 VAL 28 -2.458 7.262 1.878 202 HG12 VAL 28 2HG1 VAL 28 -3.155 7.960 3.348 203 HG13 VAL 28 3HG1 VAL 28 -1.993 8.897 2.403 204 HG21 VAL 28 3HG2 VAL 28 -0.783 5.503 4.735 205 HG22 VAL 28 1HG2 VAL 28 -2.457 6.072 4.751 206 HG23 VAL 28 2HG2 VAL 28 -1.817 5.257 3.311 207 H LEU 29 H LEU 29 1.217 4.911 2.874 208 HA LEU 29 HA LEU 29 0.936 4.341 -0.043 209 HB2 LEU 29 2HB LEU 29 3.204 4.682 1.209 210 HB3 LEU 29 3HB LEU 29 2.859 3.158 1.991 211 HG LEU 29 HG LEU 29 3.454 3.714 -0.930 212 HD11 LEU 29 1HD1 LEU 29 5.333 3.413 0.637 213 HD12 LEU 29 2HD1 LEU 29 5.224 2.038 -0.483 214 HD13 LEU 29 3HD1 LEU 29 4.654 1.859 1.179 215 HD21 LEU 29 3HD2 LEU 29 3.217 1.262 -1.359 216 HD22 LEU 29 1HD2 LEU 29 1.678 2.066 -1.095 217 HD23 LEU 29 2HD2 LEU 29 2.407 1.087 0.209 218 H VAL 30 H VAL 30 -0.672 2.863 -0.456 219 HA VAL 30 HA VAL 30 -1.234 0.772 1.609 220 HB VAL 30 HB VAL 30 -3.191 1.497 -0.559 221 HG11 VAL 30 1HG1 VAL 30 -3.385 0.144 2.175 222 HG12 VAL 30 2HG1 VAL 30 -4.749 0.471 1.103 223 HG13 VAL 30 3HG1 VAL 30 -3.495 -0.657 0.590 224 HG21 VAL 30 3HG2 VAL 30 -4.432 2.836 1.068 225 HG22 VAL 30 1HG2 VAL 30 -3.083 2.738 2.217 226 HG23 VAL 30 2HG2 VAL 30 -2.892 3.591 0.670 227 H ASP 31 H ASP 31 -0.671 -1.217 1.157 228 HA ASP 31 HA ASP 31 -0.269 -2.074 -1.676 229 HB2 ASP 31 2HB ASP 31 1.648 -2.439 -0.317 230 HB3 ASP 31 3HB ASP 31 0.705 -3.231 0.943 231 H PHE 32 H PHE 32 -1.809 -3.083 -2.624 232 HA PHE 32 HA PHE 32 -4.037 -4.380 -1.181 233 HB2 PHE 32 2HB PHE 32 -3.542 -3.727 -4.102 234 HB3 PHE 32 3HB PHE 32 -4.908 -4.664 -3.527 235 HD1 PHE 32 HD2 PHE 32 -3.233 -1.308 -3.010 236 HD2 PHE 32 HD1 PHE 32 -6.895 -3.585 -2.892 237 HE1 PHE 32 HE2 PHE 32 -4.508 0.744 -2.476 238 HE2 PHE 32 HE1 PHE 32 -8.156 -1.512 -2.394 239 HZ PHE 32 HZ PHE 32 -6.960 0.667 -2.206 240 H TRP 33 H TRP 33 -3.890 -6.425 -0.645 241 HA TRP 33 HA TRP 33 -2.073 -8.274 -2.105 242 HB2 TRP 33 2HB TRP 33 -0.932 -8.859 -0.134 243 HB3 TRP 33 3HB TRP 33 -0.971 -7.106 -0.119 244 HD1 TRP 33 HD1 TRP 33 -3.006 -6.064 1.511 245 HE1 TRP 33 HE1 TRP 33 -3.934 -6.906 3.761 246 HE3 TRP 33 HE3 TRP 33 -1.102 -10.817 1.450 247 HZ2 TRP 33 HZ2 TRP 33 -3.855 -9.320 5.326 248 HZ3 TRP 33 HZ3 TRP 33 -1.541 -12.365 3.342 249 HH2 TRP 33 HH2 TRP 33 -2.922 -11.638 5.273 250 H ALA 34 H ALA 34 -2.221 -10.560 -1.141 251 HA ALA 34 HA ALA 34 -4.749 -11.205 0.180 252 HB1 ALA 34 3HB ALA 34 -4.014 -12.513 -2.477 253 HB2 ALA 34 1HB ALA 34 -5.377 -12.943 -1.419 254 HB3 ALA 34 2HB ALA 34 -5.354 -11.378 -2.230 255 H THR 35 H THR 35 -4.759 -13.295 1.142 256 HA THR 35 HA THR 35 -2.304 -14.380 2.120 257 HB THR 35 HB THR 35 -3.752 -16.341 2.759 258 HG1 THR 35 HG1 THR 35 -5.971 -16.104 2.372 259 HG21 THR 35 3HG2 THR 35 -3.528 -14.362 4.248 260 HG22 THR 35 1HG2 THR 35 -5.127 -15.113 4.369 261 HG23 THR 35 2HG2 THR 35 -4.925 -13.606 3.450 262 H TRP 36 H TRP 36 -4.199 -15.126 -0.770 263 HA TRP 36 HA TRP 36 -2.613 -17.461 -1.491 264 HB2 TRP 36 2HB TRP 36 -4.023 -17.381 -3.552 265 HB3 TRP 36 3HB TRP 36 -4.873 -17.534 -2.036 266 HD1 TRP 36 HD1 TRP 36 -6.809 -15.961 -1.588 267 HE1 TRP 36 HE1 TRP 36 -7.977 -14.107 -2.840 268 HE3 TRP 36 HE3 TRP 36 -3.187 -14.985 -5.108 269 HZ2 TRP 36 HZ2 TRP 36 -7.385 -12.302 -5.031 270 HZ3 TRP 36 HZ3 TRP 36 -3.494 -13.099 -6.698 271 HH2 TRP 36 HH2 TRP 36 -5.601 -11.792 -6.704 272 H CYS 37 H CYS 37 -1.812 -14.172 -1.769 273 HA CYS 37 HA CYS 37 -0.562 -14.501 -4.439 274 HB2 CYS 37 2HB CYS 37 -2.077 -12.590 -3.945 275 HB3 CYS 37 3HB CYS 37 -0.862 -11.979 -2.806 276 HG CYS 37 HG CYS 37 -0.562 -10.620 -4.977 277 H GLY 38 H GLY 38 1.196 -15.796 -4.062 278 HA2 GLY 38 2HA GLY 38 3.267 -15.518 -2.185 279 HA3 GLY 38 3HA GLY 38 3.458 -16.138 -3.821 280 HA PRO 39 HA PRO 39 5.438 -12.263 -5.072 281 HB2 PRO 39 2HB PRO 39 2.982 -11.149 -6.383 282 HB3 PRO 39 3HB PRO 39 4.660 -11.187 -7.010 283 HG2 PRO 39 2HG PRO 39 2.876 -12.996 -7.911 284 HG3 PRO 39 3HG PRO 39 4.517 -13.551 -7.431 285 HD2 PRO 39 2HD PRO 39 1.947 -13.678 -5.834 286 HD3 PRO 39 3HD PRO 39 3.192 -14.940 -6.063 287 H CYS 40 H CYS 40 2.178 -11.627 -3.639 288 HA CYS 40 HA CYS 40 2.924 -9.034 -2.549 289 HB2 CYS 40 2HB CYS 40 0.761 -11.007 -1.748 290 HB3 CYS 40 3HB CYS 40 1.058 -9.467 -0.936 291 HG CYS 40 HG CYS 40 0.739 -7.896 -2.925 292 H LYS 41 H LYS 41 3.085 -12.415 -1.304 293 HA LYS 41 HA LYS 41 4.334 -11.708 1.207 294 HB2 LYS 41 2HB LYS 41 4.256 -14.270 -0.405 295 HB3 LYS 41 3HB LYS 41 5.343 -14.107 0.962 296 HG2 LYS 41 2HG LYS 41 3.398 -15.156 1.759 297 HG3 LYS 41 3HG LYS 41 3.437 -13.530 2.442 298 HD2 LYS 41 2HD LYS 41 1.753 -12.781 0.785 299 HD3 LYS 41 3HD LYS 41 1.748 -14.390 0.050 300 HE2 LYS 41 2HE LYS 41 1.016 -13.787 2.945 301 HE3 LYS 41 3HE LYS 41 -0.160 -13.868 1.623 302 HZ1 LYS 41 3HZ LYS 41 1.600 -16.162 2.306 303 HZ2 LYS 41 1HZ LYS 41 0.272 -16.165 1.330 304 HZ3 LYS 41 2HZ LYS 41 0.108 -15.978 2.933 305 H MET 42 H MET 42 5.756 -12.073 -2.017 306 HA MET 42 HA MET 42 8.501 -11.887 -1.143 307 HB2 MET 42 2HB MET 42 7.203 -11.338 -3.833 308 HB3 MET 42 3HB MET 42 8.940 -11.282 -3.549 309 HG2 MET 42 2HG MET 42 9.041 -13.604 -2.986 310 HG3 MET 42 3HG MET 42 7.293 -13.739 -2.893 311 HE1 MET 42 3HE MET 42 9.669 -13.329 -6.863 312 HE2 MET 42 1HE MET 42 9.461 -11.944 -5.774 313 HE3 MET 42 2HE MET 42 10.404 -13.359 -5.246 314 H VAL 43 H VAL 43 6.210 -9.300 -2.235 315 HA VAL 43 HA VAL 43 8.284 -7.261 -1.705 316 HB VAL 43 HB VAL 43 6.773 -7.113 -3.626 317 HG11 VAL 43 1HG1 VAL 43 4.660 -7.808 -2.588 318 HG12 VAL 43 2HG1 VAL 43 4.619 -6.321 -1.625 319 HG13 VAL 43 3HG1 VAL 43 4.508 -6.245 -3.395 320 HG21 VAL 43 3HG2 VAL 43 6.547 -4.696 -1.806 321 HG22 VAL 43 1HG2 VAL 43 7.987 -5.128 -2.749 322 HG23 VAL 43 2HG2 VAL 43 6.469 -4.727 -3.574 323 H ALA 44 H ALA 44 5.724 -8.666 0.203 324 HA ALA 44 HA ALA 44 5.166 -6.716 2.062 325 HB1 ALA 44 3HB ALA 44 4.098 -8.903 2.049 326 HB2 ALA 44 1HB ALA 44 5.609 -9.691 2.538 327 HB3 ALA 44 2HB ALA 44 4.781 -8.586 3.651 328 HA PRO 45 HA PRO 45 9.027 -7.431 4.799 329 HB2 PRO 45 2HB PRO 45 11.344 -8.440 3.706 330 HB3 PRO 45 3HB PRO 45 10.096 -9.442 4.508 331 HG2 PRO 45 2HG PRO 45 10.417 -8.902 1.536 332 HG3 PRO 45 3HG PRO 45 10.210 -10.485 2.357 333 HD2 PRO 45 2HD PRO 45 8.108 -9.240 1.262 334 HD3 PRO 45 3HD PRO 45 7.933 -10.034 2.850 335 H VAL 46 H VAL 46 9.340 -6.531 1.371 336 HA VAL 46 HA VAL 46 11.373 -4.490 1.849 337 HB VAL 46 HB VAL 46 9.508 -4.583 -0.545 338 HG11 VAL 46 1HG1 VAL 46 11.280 -3.413 -1.640 339 HG12 VAL 46 2HG1 VAL 46 11.023 -2.566 -0.105 340 HG13 VAL 46 3HG1 VAL 46 12.379 -3.689 -0.256 341 HG21 VAL 46 3HG2 VAL 46 12.100 -6.129 -0.068 342 HG22 VAL 46 1HG2 VAL 46 10.499 -6.812 -0.437 343 HG23 VAL 46 2HG2 VAL 46 11.359 -5.882 -1.659 344 H LEU 47 H LEU 47 7.819 -4.481 1.404 345 HA LEU 47 HA LEU 47 7.338 -1.716 1.978 346 HB2 LEU 47 2HB LEU 47 5.751 -4.287 2.219 347 HB3 LEU 47 3HB LEU 47 5.060 -2.774 2.782 348 HG LEU 47 HG LEU 47 6.139 -3.010 -0.047 349 HD11 LEU 47 1HD1 LEU 47 4.522 -4.818 0.260 350 HD12 LEU 47 2HD1 LEU 47 3.840 -3.540 -0.752 351 HD13 LEU 47 3HD1 LEU 47 3.352 -3.679 0.958 352 HD21 LEU 47 3HD2 LEU 47 4.491 -1.195 -0.435 353 HD22 LEU 47 1HD2 LEU 47 5.648 -0.727 0.818 354 HD23 LEU 47 2HD2 LEU 47 4.010 -1.251 1.266 355 H GLU 48 H GLU 48 7.669 -4.527 4.200 356 HA GLU 48 HA GLU 48 7.058 -3.121 6.599 357 HB2 GLU 48 2HB GLU 48 7.346 -5.664 6.221 358 HB3 GLU 48 3HB GLU 48 9.084 -5.374 6.392 359 HG2 GLU 48 2HG GLU 48 8.420 -4.173 8.629 360 HG3 GLU 48 3HG GLU 48 6.858 -4.964 8.413 361 H GLU 49 H GLU 49 10.234 -3.477 4.886 362 HA GLU 49 HA GLU 49 11.658 -1.889 6.848 363 HB2 GLU 49 2HB GLU 49 12.284 -2.638 3.975 364 HB3 GLU 49 3HB GLU 49 13.356 -1.658 4.975 365 HG2 GLU 49 2HG GLU 49 12.432 -4.480 5.673 366 HG3 GLU 49 3HG GLU 49 13.969 -4.048 4.943 367 H ILE 50 H ILE 50 10.012 -0.976 3.759 368 HA ILE 50 HA ILE 50 10.668 1.818 3.893 369 HB ILE 50 HB ILE 50 8.194 0.376 2.859 370 HG12 ILE 50 2HG1 ILE 50 10.221 -0.194 1.607 371 HG13 ILE 50 3HG1 ILE 50 9.075 0.703 0.635 372 HG21 ILE 50 1HG2 ILE 50 7.585 2.376 1.624 373 HG22 ILE 50 2HG2 ILE 50 7.527 2.681 3.343 374 HG23 ILE 50 3HG2 ILE 50 8.894 3.301 2.408 375 HD11 ILE 50 3HD1 ILE 50 10.477 2.745 0.876 376 HD12 ILE 50 1HD1 ILE 50 11.629 1.825 1.874 377 HD13 ILE 50 2HD1 ILE 50 11.374 1.391 0.176 378 H ALA 51 H ALA 51 7.962 0.016 5.446 379 HA ALA 51 HA ALA 51 6.818 2.241 6.804 380 HB1 ALA 51 3HB ALA 51 5.646 0.582 8.074 381 HB2 ALA 51 1HB ALA 51 5.903 -0.152 6.474 382 HB3 ALA 51 2HB ALA 51 6.915 -0.632 7.833 383 H THR 52 H THR 52 9.298 -0.077 7.831 384 HA THR 52 HA THR 52 9.655 0.839 10.512 385 HB THR 52 HB THR 52 11.634 -0.606 8.668 386 HG1 THR 52 HG1 THR 52 9.721 -1.722 9.003 387 HG21 THR 52 3HG2 THR 52 12.625 -1.459 10.774 388 HG22 THR 52 1HG2 THR 52 11.581 -0.360 11.710 389 HG23 THR 52 2HG2 THR 52 12.835 0.285 10.624 390 H GLU 53 H GLU 53 11.349 1.750 7.499 391 HA GLU 53 HA GLU 53 13.167 3.542 8.934 392 HB2 GLU 53 2HB GLU 53 12.880 2.845 5.985 393 HB3 GLU 53 3HB GLU 53 14.139 3.860 6.679 394 HG2 GLU 53 2HG GLU 53 14.546 1.807 8.299 395 HG3 GLU 53 3HG GLU 53 13.705 0.883 7.088 396 H ARG 54 H ARG 54 10.353 4.033 6.765 397 HA ARG 54 HA ARG 54 10.837 6.983 6.914 398 HB2 ARG 54 2HB ARG 54 9.150 5.502 4.885 399 HB3 ARG 54 3HB ARG 54 9.556 7.196 4.872 400 HG2 ARG 54 2HG ARG 54 11.242 4.827 4.153 401 HG3 ARG 54 3HG ARG 54 10.936 6.299 3.250 402 HD2 ARG 54 2HD ARG 54 12.883 5.839 5.520 403 HD3 ARG 54 3HD ARG 54 13.222 6.294 3.855 404 HE ARG 54 HE ARG 54 11.663 8.359 5.192 405 HH11 ARG 54 1HH2 ARG 54 14.955 7.111 5.136 406 HH12 ARG 54 2HH2 ARG 54 15.599 8.611 5.740 407 HH21 ARG 54 1HH1 ARG 54 12.504 10.113 5.970 408 HH22 ARG 54 2HH1 ARG 54 14.242 10.319 6.192 409 H ALA 55 H ALA 55 9.200 5.196 8.884 410 HA ALA 55 HA ALA 55 6.523 5.787 8.874 411 HB1 ALA 55 3HB ALA 55 7.665 4.400 10.573 412 HB2 ALA 55 1HB ALA 55 8.396 5.851 11.285 413 HB3 ALA 55 2HB ALA 55 6.637 5.614 11.339 414 H THR 56 H THR 56 9.069 8.090 9.755 415 HA THR 56 HA THR 56 7.307 10.114 10.861 416 HB THR 56 HB THR 56 9.679 9.807 11.495 417 HG1 THR 56 HG1 THR 56 10.081 11.993 11.656 418 HG21 THR 56 3HG2 THR 56 10.684 9.490 9.219 419 HG22 THR 56 1HG2 THR 56 11.480 10.750 10.169 420 HG23 THR 56 2HG2 THR 56 10.362 11.202 8.870 421 H ASP 57 H ASP 57 8.309 9.331 7.607 422 HA ASP 57 HA ASP 57 7.389 11.940 6.502 423 HB2 ASP 57 2HB ASP 57 8.502 9.522 5.051 424 HB3 ASP 57 3HB ASP 57 8.286 11.146 4.412 425 H LEU 58 H LEU 58 6.776 8.420 6.166 426 HA LEU 58 HA LEU 58 4.029 8.976 5.263 427 HB2 LEU 58 2HB LEU 58 4.198 7.352 3.425 428 HB3 LEU 58 3HB LEU 58 5.077 8.846 3.206 429 HG LEU 58 HG LEU 58 7.206 7.757 3.428 430 HD11 LEU 58 1HD1 LEU 58 6.747 5.913 4.988 431 HD12 LEU 58 2HD1 LEU 58 7.289 5.228 3.456 432 HD13 LEU 58 3HD1 LEU 58 5.561 5.207 3.862 433 HD21 LEU 58 3HD2 LEU 58 7.103 6.412 1.398 434 HD22 LEU 58 1HD2 LEU 58 6.086 7.850 1.245 435 HD23 LEU 58 2HD2 LEU 58 5.339 6.266 1.551 436 H THR 59 H THR 59 2.532 7.295 5.380 437 HA THR 59 HA THR 59 3.167 5.245 7.486 438 HB THR 59 HB THR 59 0.483 6.394 6.647 439 HG1 THR 59 HG1 THR 59 0.589 7.261 8.756 440 HG21 THR 59 3HG2 THR 59 -0.356 5.242 8.694 441 HG22 THR 59 1HG2 THR 59 1.226 4.452 8.888 442 HG23 THR 59 2HG2 THR 59 0.200 4.091 7.478 443 H VAL 60 H VAL 60 2.889 3.074 7.026 444 HA VAL 60 HA VAL 60 2.174 2.395 4.202 445 HB VAL 60 HB VAL 60 4.051 0.903 6.057 446 HG11 VAL 60 1HG1 VAL 60 2.878 -0.634 4.485 447 HG12 VAL 60 2HG1 VAL 60 3.290 0.435 3.128 448 HG13 VAL 60 3HG1 VAL 60 4.565 -0.426 4.016 449 HG21 VAL 60 3HG2 VAL 60 4.566 2.606 3.579 450 HG22 VAL 60 1HG2 VAL 60 5.085 2.966 5.239 451 HG23 VAL 60 2HG2 VAL 60 5.762 1.574 4.386 452 H ALA 61 H ALA 61 0.510 1.136 3.811 453 HA ALA 61 HA ALA 61 -0.925 -0.185 6.050 454 HB1 ALA 61 3HB ALA 61 -2.039 1.599 3.859 455 HB2 ALA 61 1HB ALA 61 -2.994 0.793 5.122 456 HB3 ALA 61 2HB ALA 61 -1.827 2.057 5.557 457 H LYS 62 H LYS 62 -2.468 -1.772 5.467 458 HA LYS 62 HA LYS 62 -1.995 -3.248 2.891 459 HB2 LYS 62 2HB LYS 62 -2.221 -4.140 5.788 460 HB3 LYS 62 3HB LYS 62 -2.504 -5.266 4.478 461 HG2 LYS 62 2HG LYS 62 0.089 -3.677 4.662 462 HG3 LYS 62 3HG LYS 62 -0.163 -5.196 5.531 463 HD2 LYS 62 2HD LYS 62 -0.660 -6.366 3.425 464 HD3 LYS 62 3HD LYS 62 -0.382 -4.872 2.504 465 HE2 LYS 62 2HE LYS 62 1.951 -4.816 3.255 466 HE3 LYS 62 3HE LYS 62 1.677 -6.209 4.314 467 HZ1 LYS 62 3HZ LYS 62 1.454 -6.242 1.347 468 HZ2 LYS 62 1HZ LYS 62 1.181 -7.535 2.321 469 HZ3 LYS 62 2HZ LYS 62 2.686 -6.891 2.206 470 H LEU 63 H LEU 63 -3.730 -3.670 1.697 471 HA LEU 63 HA LEU 63 -6.429 -3.906 2.989 472 HB2 LEU 63 2HB LEU 63 -6.202 -1.911 1.519 473 HB3 LEU 63 3HB LEU 63 -5.760 -2.940 0.179 474 HG LEU 63 HG LEU 63 -8.050 -2.122 0.025 475 HD11 LEU 63 1HD1 LEU 63 -7.415 -4.460 -0.824 476 HD12 LEU 63 2HD1 LEU 63 -9.138 -4.104 -0.651 477 HD13 LEU 63 3HD1 LEU 63 -8.325 -5.086 0.560 478 HD21 LEU 63 3HD2 LEU 63 -8.678 -3.725 2.530 479 HD22 LEU 63 1HD2 LEU 63 -9.825 -2.814 1.535 480 HD23 LEU 63 2HD2 LEU 63 -8.569 -1.954 2.431 481 H ASP 64 H ASP 64 -7.030 -5.995 3.077 482 HA ASP 64 HA ASP 64 -5.785 -8.026 1.339 483 HB2 ASP 64 2HB ASP 64 -6.023 -8.546 3.674 484 HB3 ASP 64 3HB ASP 64 -7.741 -8.183 3.640 485 H VAL 65 H VAL 65 -6.539 -8.079 -0.711 486 HA VAL 65 HA VAL 65 -9.145 -7.164 -1.483 487 HB VAL 65 HB VAL 65 -8.647 -7.768 -3.691 488 HG11 VAL 65 1HG1 VAL 65 -5.909 -7.127 -2.542 489 HG12 VAL 65 2HG1 VAL 65 -6.596 -6.660 -4.113 490 HG13 VAL 65 3HG1 VAL 65 -7.226 -5.951 -2.618 491 HG21 VAL 65 3HG2 VAL 65 -6.729 -9.143 -4.405 492 HG22 VAL 65 1HG2 VAL 65 -6.413 -9.556 -2.708 493 HG23 VAL 65 2HG2 VAL 65 -7.909 -10.092 -3.499 494 H ASP 66 H ASP 66 -8.177 -10.236 -0.236 495 HA ASP 66 HA ASP 66 -10.302 -11.748 -1.546 496 HB2 ASP 66 2HB ASP 66 -7.986 -12.580 -0.727 497 HB3 ASP 66 3HB ASP 66 -8.726 -12.641 0.875 498 H THR 67 H THR 67 -10.106 -9.738 1.273 499 HA THR 67 HA THR 67 -12.852 -10.621 2.087 500 HB THR 67 HB THR 67 -10.917 -11.090 3.699 501 HG1 THR 67 HG1 THR 67 -13.225 -9.659 4.518 502 HG21 THR 67 3HG2 THR 67 -11.368 -8.199 4.522 503 HG22 THR 67 1HG2 THR 67 -9.948 -8.751 3.611 504 HG23 THR 67 2HG2 THR 67 -10.264 -9.393 5.231 505 H ASN 68 H ASN 68 -10.918 -7.866 1.106 506 HA ASN 68 HA ASN 68 -13.402 -6.195 1.218 507 HB2 ASN 68 2HB ASN 68 -10.534 -5.222 1.387 508 HB3 ASN 68 3HB ASN 68 -11.993 -4.248 1.540 509 HD21 ASN 68 1HD2 ASN 68 -13.527 -5.106 3.514 510 HD22 ASN 68 2HD2 ASN 68 -12.586 -5.556 4.921 511 HA PRO 69 HA PRO 69 -11.737 -7.024 -3.141 512 HB2 PRO 69 2HB PRO 69 -14.038 -7.933 -4.348 513 HB3 PRO 69 3HB PRO 69 -12.912 -8.984 -3.442 514 HG2 PRO 69 2HG PRO 69 -15.459 -7.678 -2.424 515 HG3 PRO 69 3HG PRO 69 -14.957 -9.395 -2.274 516 HD2 PRO 69 2HD PRO 69 -14.548 -7.659 -0.247 517 HD3 PRO 69 3HD PRO 69 -13.294 -8.866 -0.675 518 H GLU 70 H GLU 70 -14.665 -5.326 -2.028 519 HA GLU 70 HA GLU 70 -14.979 -3.781 -4.455 520 HB2 GLU 70 2HB GLU 70 -16.021 -3.181 -1.662 521 HB3 GLU 70 3HB GLU 70 -16.570 -2.450 -3.171 522 HG2 GLU 70 2HG GLU 70 -16.927 -5.322 -2.249 523 HG3 GLU 70 3HG GLU 70 -18.176 -4.123 -2.557 524 H THR 71 H THR 71 -12.971 -3.275 -1.570 525 HA THR 71 HA THR 71 -12.228 -0.541 -2.225 526 HB THR 71 HB THR 71 -10.491 -2.462 -0.717 527 HG1 THR 71 HG1 THR 71 -12.782 -1.063 0.168 528 HG21 THR 71 3HG2 THR 71 -11.069 0.526 -0.437 529 HG22 THR 71 1HG2 THR 71 -9.587 -0.182 -1.108 530 HG23 THR 71 2HG2 THR 71 -9.994 -0.431 0.597 531 H ALA 72 H ALA 72 -10.914 -3.757 -3.060 532 HA ALA 72 HA ALA 72 -8.708 -2.799 -4.656 533 HB1 ALA 72 3HB ALA 72 -10.228 -5.416 -4.925 534 HB2 ALA 72 1HB ALA 72 -8.549 -5.068 -5.388 535 HB3 ALA 72 2HB ALA 72 -9.013 -5.102 -3.676 536 H ARG 73 H ARG 73 -12.101 -3.520 -5.430 537 HA ARG 73 HA ARG 73 -11.817 -3.017 -8.224 538 HB2 ARG 73 2HB ARG 73 -13.670 -4.298 -6.953 539 HB3 ARG 73 3HB ARG 73 -14.378 -2.720 -6.585 540 HG2 ARG 73 2HG ARG 73 -14.392 -2.324 -9.146 541 HG3 ARG 73 3HG ARG 73 -13.986 -4.035 -9.302 542 HD2 ARG 73 2HD ARG 73 -16.479 -2.776 -8.096 543 HD3 ARG 73 3HD ARG 73 -16.394 -3.765 -9.546 544 HE ARG 73 HE ARG 73 -16.688 -4.638 -6.808 545 HH11 ARG 73 1HH2 ARG 73 -15.420 -5.800 -9.876 546 HH12 ARG 73 2HH2 ARG 73 -15.509 -7.464 -9.369 547 HH21 ARG 73 1HH1 ARG 73 -16.705 -6.720 -6.214 548 HH22 ARG 73 2HH1 ARG 73 -16.247 -7.981 -7.346 549 H ASN 74 H ASN 74 -12.777 -0.873 -5.547 550 HA ASN 74 HA ASN 74 -13.827 1.276 -6.915 551 HB2 ASN 74 2HB ASN 74 -13.873 0.977 -4.473 552 HB3 ASN 74 3HB ASN 74 -12.139 1.289 -4.370 553 HD21 ASN 74 1HD2 ASN 74 -11.437 3.480 -4.293 554 HD22 ASN 74 2HD2 ASN 74 -12.578 4.806 -4.406 555 H PHE 75 H PHE 75 -10.342 0.770 -6.294 556 HA PHE 75 HA PHE 75 -9.672 3.219 -7.851 557 HB2 PHE 75 2HB PHE 75 -7.883 1.412 -6.205 558 HB3 PHE 75 3HB PHE 75 -7.436 2.950 -6.927 559 HD1 PHE 75 HD2 PHE 75 -8.656 5.082 -6.133 560 HD2 PHE 75 HD1 PHE 75 -8.847 1.323 -4.030 561 HE1 PHE 75 HE2 PHE 75 -9.406 6.265 -4.080 562 HE2 PHE 75 HE1 PHE 75 -9.613 2.506 -1.985 563 HZ PHE 75 HZ PHE 75 -9.896 4.977 -2.009 564 H GLN 76 H GLN 76 -10.458 0.250 -8.781 565 HA GLN 76 HA GLN 76 -9.799 -1.393 -10.138 566 HB2 GLN 76 2HB GLN 76 -10.420 0.452 -11.710 567 HB3 GLN 76 3HB GLN 76 -8.698 0.809 -11.914 568 HG2 GLN 76 2HG GLN 76 -8.333 -1.529 -12.734 569 HG3 GLN 76 3HG GLN 76 -10.035 -1.888 -12.462 570 HE21 GLN 76 1HE2 GLN 76 -7.814 0.182 -14.415 571 HE22 GLN 76 2HE2 GLN 76 -8.956 0.382 -15.736 572 H VAL 77 H VAL 77 -8.239 -1.598 -8.149 573 HA VAL 77 HA VAL 77 -5.438 -1.941 -9.138 574 HB VAL 77 HB VAL 77 -4.771 -1.795 -6.797 575 HG11 VAL 77 1HG1 VAL 77 -4.567 0.181 -8.204 576 HG12 VAL 77 2HG1 VAL 77 -6.216 0.673 -7.783 577 HG13 VAL 77 3HG1 VAL 77 -4.952 0.629 -6.539 578 HG21 VAL 77 3HG2 VAL 77 -7.609 -0.894 -6.221 579 HG22 VAL 77 1HG2 VAL 77 -6.819 -2.389 -5.653 580 HG23 VAL 77 2HG2 VAL 77 -6.233 -0.809 -5.117 581 H VAL 78 H VAL 78 -7.941 -3.752 -9.134 582 HA VAL 78 HA VAL 78 -7.668 -5.871 -7.363 583 HB VAL 78 HB VAL 78 -8.986 -7.212 -8.962 584 HG11 VAL 78 1HG1 VAL 78 -10.086 -5.588 -7.458 585 HG12 VAL 78 2HG1 VAL 78 -9.994 -4.355 -8.740 586 HG13 VAL 78 3HG1 VAL 78 -10.967 -5.818 -8.972 587 HG21 VAL 78 3HG2 VAL 78 -8.035 -6.462 -11.121 588 HG22 VAL 78 1HG2 VAL 78 -9.784 -6.246 -11.070 589 HG23 VAL 78 2HG2 VAL 78 -8.721 -4.842 -10.872 590 H SER 79 H SER 79 -5.702 -5.292 -10.179 591 HA SER 79 HA SER 79 -4.839 -8.002 -10.670 592 HB2 SER 79 2HB SER 79 -3.720 -5.385 -11.720 593 HB3 SER 79 3HB SER 79 -3.430 -7.009 -12.379 594 HG SER 79 HG SER 79 -5.088 -5.918 -13.523 595 H ILE 80 H ILE 80 -4.307 -7.898 -8.125 596 HA ILE 80 HA ILE 80 -2.023 -6.575 -7.294 597 HB ILE 80 HB ILE 80 -2.136 -7.931 -5.234 598 HG12 ILE 80 2HG1 ILE 80 -4.503 -9.426 -6.369 599 HG13 ILE 80 3HG1 ILE 80 -2.869 -10.097 -6.402 600 HG21 ILE 80 1HG2 ILE 80 -4.872 -6.988 -6.186 601 HG22 ILE 80 2HG2 ILE 80 -4.268 -7.052 -4.523 602 HG23 ILE 80 3HG2 ILE 80 -3.559 -5.914 -5.667 603 HD11 ILE 80 3HD1 ILE 80 -2.672 -9.897 -3.964 604 HD12 ILE 80 1HD1 ILE 80 -4.308 -9.216 -3.870 605 HD13 ILE 80 2HD1 ILE 80 -4.069 -10.880 -4.416 606 HA PRO 81 HA PRO 81 -0.197 -7.111 -5.283 607 HB2 PRO 81 2HB PRO 81 2.498 -6.448 -6.391 608 HB3 PRO 81 3HB PRO 81 2.034 -6.912 -4.731 609 HG2 PRO 81 2HG PRO 81 3.296 -8.657 -6.398 610 HG3 PRO 81 3HG PRO 81 1.998 -9.205 -5.298 611 HD2 PRO 81 2HD PRO 81 1.795 -8.599 -8.247 612 HD3 PRO 81 3HD PRO 81 1.111 -9.959 -7.320 613 H THR 82 H THR 82 -0.831 -5.015 -5.126 614 HA THR 82 HA THR 82 0.040 -3.079 -7.203 615 HB THR 82 HB THR 82 -2.824 -3.090 -6.212 616 HG1 THR 82 HG1 THR 82 -3.402 -4.098 -7.928 617 HG21 THR 82 3HG2 THR 82 -2.204 -0.880 -6.856 618 HG22 THR 82 1HG2 THR 82 -2.973 -1.551 -8.309 619 HG23 THR 82 2HG2 THR 82 -1.212 -1.448 -8.211 620 H LEU 83 H LEU 83 1.021 -1.486 -6.272 621 HA LEU 83 HA LEU 83 0.459 -0.731 -3.435 622 HB2 LEU 83 2HB LEU 83 2.939 -0.373 -5.157 623 HB3 LEU 83 3HB LEU 83 2.709 0.297 -3.555 624 HG LEU 83 HG LEU 83 2.584 -2.025 -2.615 625 HD11 LEU 83 1HD1 LEU 83 3.675 -3.847 -4.005 626 HD12 LEU 83 2HD1 LEU 83 3.426 -2.835 -5.445 627 HD13 LEU 83 3HD1 LEU 83 2.044 -3.459 -4.509 628 HD21 LEU 83 3HD2 LEU 83 4.646 -0.638 -2.666 629 HD22 LEU 83 1HD2 LEU 83 5.080 -1.362 -4.227 630 HD23 LEU 83 2HD2 LEU 83 5.012 -2.368 -2.762 631 H ILE 84 H ILE 84 -0.443 1.236 -3.133 632 HA ILE 84 HA ILE 84 -0.225 3.287 -5.292 633 HB ILE 84 HB ILE 84 -2.423 1.887 -5.143 634 HG12 ILE 84 2HG1 ILE 84 -2.103 3.765 -6.654 635 HG13 ILE 84 3HG1 ILE 84 -3.740 3.585 -6.053 636 HG21 ILE 84 1HG2 ILE 84 -2.997 3.862 -2.935 637 HG22 ILE 84 2HG2 ILE 84 -4.157 2.763 -3.706 638 HG23 ILE 84 3HG2 ILE 84 -2.791 2.117 -2.764 639 HD11 ILE 84 3HD1 ILE 84 -3.227 5.916 -6.190 640 HD12 ILE 84 1HD1 ILE 84 -3.354 5.509 -4.476 641 HD13 ILE 84 2HD1 ILE 84 -1.759 5.735 -5.234 642 H LEU 85 H LEU 85 0.314 5.267 -4.635 643 HA LEU 85 HA LEU 85 0.525 5.820 -1.699 644 HB2 LEU 85 2HB LEU 85 2.670 5.635 -3.045 645 HB3 LEU 85 3HB LEU 85 2.083 6.993 -4.004 646 HG LEU 85 HG LEU 85 2.013 8.349 -1.829 647 HD11 LEU 85 1HD1 LEU 85 2.172 6.455 -0.241 648 HD12 LEU 85 2HD1 LEU 85 3.476 7.622 -0.014 649 HD13 LEU 85 3HD1 LEU 85 3.798 6.090 -0.850 650 HD21 LEU 85 3HD2 LEU 85 3.770 8.630 -3.536 651 HD22 LEU 85 1HD2 LEU 85 4.696 7.293 -2.821 652 HD23 LEU 85 2HD2 LEU 85 4.442 8.793 -1.902 653 H PHE 86 H PHE 86 -0.705 7.415 -0.922 654 HA PHE 86 HA PHE 86 -1.962 9.404 -2.767 655 HB2 PHE 86 2HB PHE 86 -2.839 8.505 -0.008 656 HB3 PHE 86 3HB PHE 86 -3.637 9.720 -0.970 657 HD1 PHE 86 HD2 PHE 86 -3.079 6.110 -0.516 658 HD2 PHE 86 HD1 PHE 86 -5.083 9.119 -2.861 659 HE1 PHE 86 HE2 PHE 86 -4.654 4.401 -1.377 660 HE2 PHE 86 HE1 PHE 86 -6.622 7.395 -3.764 661 HZ PHE 86 HZ PHE 86 -6.415 5.029 -3.019 662 H LYS 87 H LYS 87 -1.940 11.597 -2.158 663 HA LYS 87 HA LYS 87 -0.861 12.339 0.487 664 HB2 LYS 87 2HB LYS 87 0.023 13.659 -2.097 665 HB3 LYS 87 3HB LYS 87 -0.054 14.554 -0.586 666 HG2 LYS 87 2HG LYS 87 1.413 12.934 0.524 667 HG3 LYS 87 3HG LYS 87 1.625 12.046 -0.989 668 HD2 LYS 87 2HD LYS 87 2.333 14.990 -0.597 669 HD3 LYS 87 3HD LYS 87 3.479 13.673 -0.333 670 HE2 LYS 87 2HE LYS 87 3.421 13.000 -2.641 671 HE3 LYS 87 3HE LYS 87 2.054 14.075 -2.991 672 HZ1 LYS 87 3HZ LYS 87 4.765 15.006 -2.194 673 HZ2 LYS 87 1HZ LYS 87 3.501 15.973 -2.557 674 HZ3 LYS 87 2HZ LYS 87 4.168 15.042 -3.715 675 H ASP 88 H ASP 88 -2.164 13.810 1.522 676 HA ASP 88 HA ASP 88 -4.133 14.788 2.049 677 HB2 ASP 88 2HB ASP 88 -2.912 16.579 0.819 678 HB3 ASP 88 3HB ASP 88 -3.848 16.186 -0.623 679 H GLY 89 H GLY 89 -4.467 12.224 0.977 680 HA2 GLY 89 2HA GLY 89 -6.096 10.756 0.341 681 HA3 GLY 89 3HA GLY 89 -7.270 12.072 0.379 682 H GLN 90 H GLN 90 -4.687 12.712 -1.832 683 HA GLN 90 HA GLN 90 -6.306 11.756 -4.149 684 HB2 GLN 90 2HB GLN 90 -4.373 14.086 -3.957 685 HB3 GLN 90 3HB GLN 90 -5.173 13.527 -5.434 686 HG2 GLN 90 2HG GLN 90 -7.396 13.969 -4.388 687 HG3 GLN 90 3HG GLN 90 -6.589 14.591 -2.948 688 HE21 GLN 90 1HE2 GLN 90 -8.230 16.396 -3.852 689 HE22 GLN 90 2HE2 GLN 90 -7.425 17.610 -4.839 690 HA PRO 91 HA PRO 91 -2.999 8.942 -5.104 691 HB2 PRO 91 2HB PRO 91 -3.661 9.579 -7.986 692 HB3 PRO 91 3HB PRO 91 -3.377 7.984 -7.225 693 HG2 PRO 91 2HG PRO 91 -5.905 8.809 -7.679 694 HG3 PRO 91 3HG PRO 91 -5.497 8.083 -6.088 695 HD2 PRO 91 2HD PRO 91 -5.735 11.023 -6.808 696 HD3 PRO 91 3HD PRO 91 -6.404 10.133 -5.405 697 H VAL 92 H VAL 92 -0.870 8.919 -5.511 698 HA VAL 92 HA VAL 92 0.494 11.258 -6.816 699 HB VAL 92 HB VAL 92 1.279 9.757 -4.285 700 HG11 VAL 92 1HG1 VAL 92 3.134 11.391 -4.129 701 HG12 VAL 92 2HG1 VAL 92 3.319 10.338 -5.527 702 HG13 VAL 92 3HG1 VAL 92 2.733 12.001 -5.750 703 HG21 VAL 92 3HG2 VAL 92 0.530 12.681 -4.730 704 HG22 VAL 92 1HG2 VAL 92 -0.509 11.462 -3.972 705 HG23 VAL 92 2HG2 VAL 92 1.008 11.909 -3.197 706 H LYS 93 H LYS 93 0.881 7.808 -5.899 707 HA LYS 93 HA LYS 93 2.332 7.263 -8.435 708 HB2 LYS 93 2HB LYS 93 3.470 7.007 -5.651 709 HB3 LYS 93 3HB LYS 93 3.832 5.718 -6.771 710 HG2 LYS 93 2HG LYS 93 4.387 8.641 -7.415 711 HG3 LYS 93 3HG LYS 93 5.522 7.587 -6.571 712 HD2 LYS 93 2HD LYS 93 5.449 5.981 -8.496 713 HD3 LYS 93 3HD LYS 93 4.431 7.138 -9.385 714 HE2 LYS 93 2HE LYS 93 6.217 8.840 -9.215 715 HE3 LYS 93 3HE LYS 93 7.207 7.716 -8.270 716 HZ1 LYS 93 3HZ LYS 93 7.856 7.690 -10.610 717 HZ2 LYS 93 1HZ LYS 93 6.352 7.256 -11.079 718 HZ3 LYS 93 2HZ LYS 93 7.261 6.223 -10.185 719 H ARG 94 H ARG 94 2.184 5.184 -9.163 720 HA ARG 94 HA ARG 94 0.770 3.127 -7.560 721 HB2 ARG 94 2HB ARG 94 -0.963 4.126 -8.959 722 HB3 ARG 94 3HB ARG 94 0.027 3.900 -10.408 723 HG2 ARG 94 2HG ARG 94 -0.097 1.456 -10.158 724 HG3 ARG 94 3HG ARG 94 -1.005 1.628 -8.641 725 HD2 ARG 94 2HD ARG 94 -2.866 2.646 -9.805 726 HD3 ARG 94 3HD ARG 94 -1.951 2.724 -11.323 727 HE ARG 94 HE ARG 94 -1.847 0.101 -10.964 728 HH11 ARG 94 1HH2 ARG 94 -4.705 2.124 -10.554 729 HH12 ARG 94 2HH2 ARG 94 -5.767 0.770 -10.872 730 HH21 ARG 94 1HH1 ARG 94 -3.320 -1.510 -11.459 731 HH22 ARG 94 2HH1 ARG 94 -5.031 -1.126 -11.393 732 H ILE 95 H ILE 95 1.675 1.198 -7.664 733 HA ILE 95 HA ILE 95 3.543 0.439 -9.857 734 HB ILE 95 HB ILE 95 4.210 -0.171 -6.948 735 HG12 ILE 95 2HG1 ILE 95 6.124 1.590 -7.295 736 HG13 ILE 95 3HG1 ILE 95 5.009 2.363 -8.408 737 HG21 ILE 95 1HG2 ILE 95 5.877 -0.103 -9.490 738 HG22 ILE 95 2HG2 ILE 95 6.465 -0.541 -7.872 739 HG23 ILE 95 3HG2 ILE 95 5.264 -1.557 -8.655 740 HD11 ILE 95 3HD1 ILE 95 3.382 2.613 -6.484 741 HD12 ILE 95 1HD1 ILE 95 4.530 1.748 -5.443 742 HD13 ILE 95 2HD1 ILE 95 4.957 3.327 -6.120 743 H VAL 96 H VAL 96 3.534 -1.632 -10.446 744 HA VAL 96 HA VAL 96 1.649 -3.458 -9.057 745 HB VAL 96 HB VAL 96 0.990 -4.214 -11.302 746 HG11 VAL 96 1HG1 VAL 96 -0.693 -2.467 -11.661 747 HG12 VAL 96 2HG1 VAL 96 -0.497 -2.860 -9.947 748 HG13 VAL 96 3HG1 VAL 96 0.223 -1.367 -10.603 749 HG21 VAL 96 3HG2 VAL 96 1.165 -2.770 -13.248 750 HG22 VAL 96 1HG2 VAL 96 2.107 -1.582 -12.331 751 HG23 VAL 96 2HG2 VAL 96 2.787 -3.190 -12.680 752 H GLY 97 H GLY 97 2.081 -5.598 -9.098 753 HA2 GLY 97 2HA GLY 97 3.380 -7.536 -9.223 754 HA3 GLY 97 3HA GLY 97 4.481 -6.757 -10.347 755 H ALA 98 H ALA 98 5.403 -8.384 -8.262 756 HA ALA 98 HA ALA 98 6.084 -7.003 -5.872 757 HB1 ALA 98 3HB ALA 98 7.647 -8.876 -5.516 758 HB2 ALA 98 1HB ALA 98 6.078 -9.453 -6.097 759 HB3 ALA 98 2HB ALA 98 7.460 -9.370 -7.212 760 H LYS 99 H LYS 99 8.097 -6.221 -5.112 761 HA LYS 99 HA LYS 99 10.132 -5.314 -7.080 762 HB2 LYS 99 2HB LYS 99 8.746 -3.535 -5.018 763 HB3 LYS 99 3HB LYS 99 10.144 -3.051 -5.972 764 HG2 LYS 99 2HG LYS 99 7.401 -3.748 -7.084 765 HG3 LYS 99 3HG LYS 99 7.983 -2.120 -6.774 766 HD2 LYS 99 2HD LYS 99 9.628 -2.201 -8.463 767 HD3 LYS 99 3HD LYS 99 9.552 -3.949 -8.628 768 HE2 LYS 99 2HE LYS 99 7.357 -2.004 -9.431 769 HE3 LYS 99 3HE LYS 99 8.506 -2.789 -10.512 770 HZ1 LYS 99 3HZ LYS 99 6.392 -4.007 -10.462 771 HZ2 LYS 99 1HZ LYS 99 6.493 -4.226 -8.858 772 HZ3 LYS 99 2HZ LYS 99 7.591 -4.948 -9.820 773 H GLY 100 H GLY 100 12.168 -4.891 -6.220 774 HA2 GLY 100 2HA GLY 100 12.798 -5.924 -3.497 775 HA3 GLY 100 3HA GLY 100 13.956 -5.535 -4.768 776 H LYS 101 H LYS 101 14.253 -4.540 -2.204 777 HA LYS 101 HA LYS 101 13.207 -2.052 -1.530 778 HB2 LYS 101 2HB LYS 101 15.151 -3.734 -0.511 779 HB3 LYS 101 3HB LYS 101 16.135 -2.373 -1.011 780 HG2 LYS 101 2HG LYS 101 13.828 -2.414 0.976 781 HG3 LYS 101 3HG LYS 101 15.540 -2.201 1.308 782 HD2 LYS 101 2HD LYS 101 15.430 0.005 0.028 783 HD3 LYS 101 3HD LYS 101 13.678 -0.240 -0.096 784 HE2 LYS 101 2HE LYS 101 13.980 1.179 1.755 785 HE3 LYS 101 3HE LYS 101 13.558 -0.407 2.408 786 HZ1 LYS 101 3HZ LYS 101 16.323 0.699 2.243 787 HZ2 LYS 101 1HZ LYS 101 15.930 -0.751 2.895 788 HZ3 LYS 101 2HZ LYS 101 15.434 0.632 3.607 789 H ALA 102 H ALA 102 15.742 -2.577 -3.898 790 HA ALA 102 HA ALA 102 16.470 0.218 -4.144 791 HB1 ALA 102 3HB ALA 102 16.846 -2.105 -6.091 792 HB2 ALA 102 1HB ALA 102 17.653 -0.524 -6.179 793 HB3 ALA 102 2HB ALA 102 17.978 -1.606 -4.813 794 H ALA 103 H ALA 103 14.315 -1.875 -6.147 795 HA ALA 103 HA ALA 103 13.499 0.290 -7.877 796 HB1 ALA 103 3HB ALA 103 12.229 -2.437 -7.361 797 HB2 ALA 103 1HB ALA 103 11.893 -1.356 -8.734 798 HB3 ALA 103 2HB ALA 103 13.498 -2.086 -8.559 799 H LEU 104 H LEU 104 11.950 -1.269 -4.975 800 HA LEU 104 HA LEU 104 9.610 0.339 -5.132 801 HB2 LEU 104 2HB LEU 104 9.779 -1.759 -3.822 802 HB3 LEU 104 3HB LEU 104 10.881 -0.978 -2.689 803 HG LEU 104 HG LEU 104 9.135 0.550 -1.951 804 HD11 LEU 104 1HD1 LEU 104 7.366 -0.777 -4.044 805 HD12 LEU 104 2HD1 LEU 104 7.845 0.936 -3.990 806 HD13 LEU 104 3HD1 LEU 104 6.780 0.299 -2.751 807 HD21 LEU 104 3HD2 LEU 104 9.174 -1.618 -0.845 808 HD22 LEU 104 1HD2 LEU 104 8.099 -2.309 -2.084 809 HD23 LEU 104 2HD2 LEU 104 7.516 -1.044 -0.980 810 H LEU 105 H LEU 105 12.741 0.904 -3.328 811 HA LEU 105 HA LEU 105 11.735 3.444 -2.427 812 HB2 LEU 105 2HB LEU 105 13.516 2.194 -1.210 813 HB3 LEU 105 3HB LEU 105 14.647 2.658 -2.484 814 HG LEU 105 HG LEU 105 14.290 5.072 -1.946 815 HD11 LEU 105 1HD1 LEU 105 13.052 5.618 0.210 816 HD12 LEU 105 2HD1 LEU 105 12.389 3.983 0.184 817 HD13 LEU 105 3HD1 LEU 105 11.995 5.145 -1.108 818 HD21 LEU 105 3HD2 LEU 105 14.871 3.409 0.524 819 HD22 LEU 105 1HD2 LEU 105 15.362 5.094 0.228 820 HD23 LEU 105 2HD2 LEU 105 16.028 3.794 -0.772 821 H ARG 106 H ARG 106 13.377 2.605 -5.543 822 HA ARG 106 HA ARG 106 13.747 5.411 -6.228 823 HB2 ARG 106 2HB ARG 106 13.228 2.919 -7.891 824 HB3 ARG 106 3HB ARG 106 13.329 4.508 -8.638 825 HG2 ARG 106 2HG ARG 106 15.555 3.415 -6.867 826 HG3 ARG 106 3HG ARG 106 15.467 3.109 -8.606 827 HD2 ARG 106 2HD ARG 106 15.503 5.552 -9.049 828 HD3 ARG 106 3HD ARG 106 15.561 5.870 -7.316 829 HE ARG 106 HE ARG 106 17.810 5.335 -7.246 830 HH11 ARG 106 1HH2 ARG 106 16.676 4.303 -10.415 831 HH12 ARG 106 2HH2 ARG 106 18.302 4.021 -10.972 832 HH21 ARG 106 1HH1 ARG 106 19.746 4.994 -7.992 833 HH22 ARG 106 2HH1 ARG 106 20.035 4.397 -9.620 834 H GLU 107 H GLU 107 10.966 3.250 -6.825 835 HA GLU 107 HA GLU 107 9.281 5.281 -7.906 836 HB2 GLU 107 2HB GLU 107 8.592 2.666 -6.534 837 HB3 GLU 107 3HB GLU 107 7.411 3.703 -7.328 838 HG2 GLU 107 2HG GLU 107 9.788 2.331 -8.641 839 HG3 GLU 107 3HG GLU 107 8.087 1.928 -8.826 840 H LEU 108 H LEU 108 9.803 4.416 -4.498 841 HA LEU 108 HA LEU 108 7.787 6.379 -3.602 842 HB2 LEU 108 2HB LEU 108 9.754 4.647 -2.083 843 HB3 LEU 108 3HB LEU 108 8.528 5.670 -1.339 844 HG LEU 108 HG LEU 108 7.910 3.352 -3.221 845 HD11 LEU 108 1HD1 LEU 108 7.709 3.588 -0.203 846 HD12 LEU 108 2HD1 LEU 108 8.981 2.702 -1.070 847 HD13 LEU 108 3HD1 LEU 108 7.310 2.150 -1.182 848 HD21 LEU 108 3HD2 LEU 108 5.612 3.564 -2.354 849 HD22 LEU 108 1HD2 LEU 108 6.100 5.015 -3.226 850 HD23 LEU 108 2HD2 LEU 108 6.083 5.023 -1.447 851 H SER 109 H SER 109 11.334 6.292 -3.849 852 HA SER 109 HA SER 109 11.797 8.719 -2.372 853 HB2 SER 109 2HB SER 109 13.510 7.033 -2.642 854 HB3 SER 109 3HB SER 109 13.694 7.530 -4.349 855 HG SER 109 HG SER 109 15.139 8.557 -2.864 856 H ASP 110 H ASP 110 10.602 8.132 -5.585 857 HA ASP 110 HA ASP 110 10.770 10.732 -6.715 858 HB2 ASP 110 2HB ASP 110 9.487 8.746 -7.587 859 HB3 ASP 110 3HB ASP 110 8.259 9.054 -6.354 860 H VAL 111 H VAL 111 9.142 9.748 -3.714 861 HA VAL 111 HA VAL 111 8.413 12.549 -3.049 862 HB VAL 111 HB VAL 111 7.291 9.919 -2.012 863 HG11 VAL 111 1HG1 VAL 111 5.524 11.327 -1.033 864 HG12 VAL 111 2HG1 VAL 111 7.086 11.930 -0.463 865 HG13 VAL 111 3HG1 VAL 111 6.250 12.786 -1.760 866 HG21 VAL 111 3HG2 VAL 111 6.559 10.131 -4.311 867 HG22 VAL 111 1HG2 VAL 111 5.214 10.606 -3.278 868 HG23 VAL 111 2HG2 VAL 111 6.178 11.853 -4.090 869 H VAL 112 H VAL 112 9.676 9.478 -1.592 870 HA VAL 112 HA VAL 112 11.030 11.056 0.537 871 HB VAL 112 HB VAL 112 9.487 8.486 1.008 872 HG11 VAL 112 1HG1 VAL 112 9.843 8.960 3.359 873 HG12 VAL 112 2HG1 VAL 112 11.403 8.845 2.578 874 HG13 VAL 112 3HG1 VAL 112 10.740 10.448 2.978 875 HG21 VAL 112 3HG2 VAL 112 7.939 9.905 2.349 876 HG22 VAL 112 1HG2 VAL 112 8.692 11.347 1.628 877 HG23 VAL 112 2HG2 VAL 112 7.837 10.147 0.617 878 HA PRO 113 HA PRO 113 12.679 11.077 1.619 879 HB2 PRO 113 2HB PRO 113 15.608 10.921 1.477 880 HB3 PRO 113 3HB PRO 113 14.525 10.818 2.886 881 HG2 PRO 113 2HG PRO 113 15.889 8.624 1.925 882 HG3 PRO 113 3HG PRO 113 14.240 8.492 2.626 883 HD2 PRO 113 2HD PRO 113 14.983 8.787 -0.300 884 HD3 PRO 113 3HD PRO 113 13.958 7.549 0.467 885 H ASN 114 H ASN 114 13.065 10.835 -1.521 886 HA ASN 114 HA ASN 114 13.863 11.888 -3.313 887 HB2 ASN 114 2HB ASN 114 12.565 13.865 -2.438 888 HB3 ASN 114 3HB ASN 114 14.067 14.464 -1.733 889 HD21 ASN 114 1HD2 ASN 114 13.555 16.354 -3.152 890 HD22 ASN 114 2HD2 ASN 114 14.075 16.271 -4.830 891 H LEU 115 H LEU 115 15.394 10.345 -1.708 892 HA LEU 115 HA LEU 115 18.152 11.317 -2.323 893 HB2 LEU 115 2HB LEU 115 17.568 11.666 0.103 894 HB3 LEU 115 3HB LEU 115 17.312 9.927 0.243 895 HG LEU 115 HG LEU 115 19.710 9.526 -0.263 896 HD11 LEU 115 1HD1 LEU 115 19.922 12.572 -0.205 897 HD12 LEU 115 2HD1 LEU 115 20.255 11.532 -1.606 898 HD13 LEU 115 3HD1 LEU 115 21.294 11.442 -0.183 899 HD21 LEU 115 3HD2 LEU 115 19.214 11.515 1.988 900 HD22 LEU 115 1HD2 LEU 115 20.576 10.378 1.868 901 HD23 LEU 115 2HD2 LEU 115 18.927 9.762 2.061 902 H ASN 116 H ASN 116 19.680 9.741 -2.814 903 HA ASN 116 HA ASN 116 18.809 6.903 -3.115 904 HB2 ASN 116 2HB ASN 116 18.646 7.983 -5.314 905 HB3 ASN 116 3HB ASN 116 20.284 8.614 -5.166 906 HD21 ASN 116 1HD2 ASN 116 21.976 6.817 -4.740 907 HD22 ASN 116 2HD2 ASN 116 21.831 5.410 -5.807 Start of MODEL 18 1 H1 MET 1 1H MET 1 -1.131 -5.003 14.318 2 H2 MET 1 2H MET 1 0.078 -5.713 15.186 3 HA MET 1 HA MET 1 1.748 -4.996 13.767 4 HB2 MET 1 2HB MET 1 1.305 -3.561 11.828 5 HB3 MET 1 3HB MET 1 0.789 -5.219 11.617 6 HG2 MET 1 2HG MET 1 -1.129 -2.957 12.308 7 HG3 MET 1 3HG MET 1 -0.718 -3.408 10.671 8 HE1 MET 1 3HE MET 1 -0.784 -6.404 10.250 9 HE2 MET 1 1HE MET 1 -2.513 -6.686 9.958 10 HE3 MET 1 2HE MET 1 -1.728 -5.238 9.292 11 H THR 2 H THR 2 2.755 -3.567 14.987 12 HA THR 2 HA THR 2 1.692 -0.874 15.495 13 HB THR 2 HB THR 2 2.032 -1.003 17.920 14 HG1 THR 2 HG1 THR 2 2.509 -2.878 18.911 15 HG21 THR 2 3HG2 THR 2 0.126 -2.229 18.675 16 HG22 THR 2 1HG2 THR 2 0.097 -3.231 17.213 17 HG23 THR 2 2HG2 THR 2 -0.285 -1.492 17.116 18 H ASP 3 H ASP 3 3.367 0.414 16.799 19 HA ASP 3 HA ASP 3 6.094 -0.067 15.911 20 HB2 ASP 3 2HB ASP 3 6.611 1.937 17.125 21 HB3 ASP 3 3HB ASP 3 5.137 2.192 16.200 22 H SER 4 H SER 4 4.245 -1.092 18.740 23 HA SER 4 HA SER 4 6.610 -1.800 20.318 24 HB2 SER 4 2HB SER 4 4.966 -2.924 21.797 25 HB3 SER 4 3HB SER 4 4.663 -1.200 21.535 26 HG SER 4 HG SER 4 2.752 -2.469 21.385 27 H GLU 5 H GLU 5 4.531 -3.421 17.968 28 HA GLU 5 HA GLU 5 6.096 -5.931 18.080 29 HB2 GLU 5 2HB GLU 5 3.892 -4.966 16.221 30 HB3 GLU 5 3HB GLU 5 4.650 -6.553 16.140 31 HG2 GLU 5 2HG GLU 5 3.900 -7.060 18.383 32 HG3 GLU 5 3HG GLU 5 3.054 -5.522 18.469 33 H LYS 6 H LYS 6 7.083 -3.098 17.291 34 HA LYS 6 HA LYS 6 8.275 -1.910 15.933 35 HB2 LYS 6 2HB LYS 6 10.357 -2.713 15.108 36 HB3 LYS 6 3HB LYS 6 10.015 -3.274 16.722 37 HG2 LYS 6 2HG LYS 6 11.174 -4.955 15.460 38 HG3 LYS 6 3HG LYS 6 9.599 -5.535 15.953 39 HD2 LYS 6 2HD LYS 6 10.290 -6.259 13.674 40 HD3 LYS 6 3HD LYS 6 8.758 -5.409 13.697 41 HE2 LYS 6 2HE LYS 6 10.001 -3.300 13.009 42 HE3 LYS 6 3HE LYS 6 11.453 -4.285 12.812 43 HZ1 LYS 6 3HZ LYS 6 9.979 -3.893 10.781 44 HZ2 LYS 6 1HZ LYS 6 8.898 -4.917 11.434 45 HZ3 LYS 6 2HZ LYS 6 10.392 -5.472 11.050 46 H SER 7 H SER 7 6.655 -4.286 14.121 47 HA SER 7 HA SER 7 7.105 -2.907 11.550 48 HB2 SER 7 2HB SER 7 5.292 -5.218 12.321 49 HB3 SER 7 3HB SER 7 5.443 -4.545 10.683 50 HG SER 7 HG SER 7 6.869 -6.254 10.881 51 H ALA 8 H ALA 8 6.456 -0.824 12.128 52 HA ALA 8 HA ALA 8 3.845 -0.223 13.142 53 HB1 ALA 8 3HB ALA 8 4.632 2.088 13.056 54 HB2 ALA 8 1HB ALA 8 5.888 1.026 13.716 55 HB3 ALA 8 2HB ALA 8 6.008 1.608 12.039 56 H THR 9 H THR 9 3.308 -1.656 10.936 57 HA THR 9 HA THR 9 2.180 0.209 8.909 58 HB THR 9 HB THR 9 3.383 -1.806 8.096 59 HG1 THR 9 HG1 THR 9 1.766 -0.827 6.873 60 HG21 THR 9 3HG2 THR 9 1.033 -3.404 9.158 61 HG22 THR 9 1HG2 THR 9 2.683 -3.446 9.837 62 HG23 THR 9 2HG2 THR 9 2.391 -3.989 8.183 63 H ILE 10 H ILE 10 -0.131 -0.423 8.249 64 HA ILE 10 HA ILE 10 -1.881 -1.180 10.526 65 HB ILE 10 HB ILE 10 -3.427 0.677 10.044 66 HG12 ILE 10 2HG1 ILE 10 -1.199 1.814 8.290 67 HG13 ILE 10 3HG1 ILE 10 -2.762 1.206 7.740 68 HG21 ILE 10 1HG2 ILE 10 -2.271 2.347 11.339 69 HG22 ILE 10 2HG2 ILE 10 -1.735 0.761 11.896 70 HG23 ILE 10 3HG2 ILE 10 -0.684 1.728 10.839 71 HD11 ILE 10 3HD1 ILE 10 -3.905 3.013 9.019 72 HD12 ILE 10 1HD1 ILE 10 -2.304 3.686 9.428 73 HD13 ILE 10 2HD1 ILE 10 -2.822 3.601 7.740 74 H LYS 11 H LYS 11 -3.872 -2.094 9.918 75 HA LYS 11 HA LYS 11 -4.128 -2.801 7.030 76 HB2 LYS 11 2HB LYS 11 -4.242 -4.644 8.713 77 HB3 LYS 11 3HB LYS 11 -5.716 -3.908 9.369 78 HG2 LYS 11 2HG LYS 11 -6.787 -4.113 7.122 79 HG3 LYS 11 3HG LYS 11 -5.303 -4.849 6.488 80 HD2 LYS 11 2HD LYS 11 -5.583 -6.701 8.149 81 HD3 LYS 11 3HD LYS 11 -7.112 -5.981 8.670 82 HE2 LYS 11 2HE LYS 11 -6.449 -6.965 5.849 83 HE3 LYS 11 3HE LYS 11 -7.413 -7.844 7.030 84 HZ1 LYS 11 3HZ LYS 11 -8.817 -6.680 5.460 85 HZ2 LYS 11 1HZ LYS 11 -8.185 -5.221 5.845 86 HZ3 LYS 11 2HZ LYS 11 -9.061 -6.063 6.947 87 H VAL 12 H VAL 12 -5.762 -2.089 5.786 88 HA VAL 12 HA VAL 12 -7.842 -0.303 7.007 89 HB VAL 12 HB VAL 12 -7.950 0.960 4.935 90 HG11 VAL 12 1HG1 VAL 12 -6.536 1.696 6.835 91 HG12 VAL 12 2HG1 VAL 12 -5.136 0.896 6.099 92 HG13 VAL 12 3HG1 VAL 12 -5.918 2.254 5.271 93 HG21 VAL 12 3HG2 VAL 12 -5.449 -0.548 4.055 94 HG22 VAL 12 1HG2 VAL 12 -7.057 -0.668 3.306 95 HG23 VAL 12 2HG2 VAL 12 -6.171 0.858 3.255 96 H THR 13 H THR 13 -9.876 -0.151 5.769 97 HA THR 13 HA THR 13 -10.701 -2.622 4.344 98 HB THR 13 HB THR 13 -12.707 -2.837 5.691 99 HG1 THR 13 HG1 THR 13 -12.891 -1.589 7.616 100 HG21 THR 13 3HG2 THR 13 -11.851 -3.669 7.783 101 HG22 THR 13 1HG2 THR 13 -10.376 -2.688 7.646 102 HG23 THR 13 2HG2 THR 13 -10.663 -4.034 6.523 103 H ASP 14 H ASP 14 -12.759 -2.316 3.147 104 HA ASP 14 HA ASP 14 -12.905 0.130 1.759 105 HB2 ASP 14 2HB ASP 14 -13.828 -2.165 1.076 106 HB3 ASP 14 3HB ASP 14 -15.205 -1.834 2.108 107 H ALA 15 H ALA 15 -14.479 -0.729 4.778 108 HA ALA 15 HA ALA 15 -16.448 1.420 4.722 109 HB1 ALA 15 3HB ALA 15 -16.868 -0.757 5.807 110 HB2 ALA 15 1HB ALA 15 -15.542 -0.447 6.954 111 HB3 ALA 15 2HB ALA 15 -16.991 0.579 6.968 112 H SER 16 H SER 16 -13.106 1.263 5.679 113 HA SER 16 HA SER 16 -13.328 3.829 7.218 114 HB2 SER 16 2HB SER 16 -11.534 1.447 7.785 115 HB3 SER 16 3HB SER 16 -11.533 2.992 8.661 116 HG SER 16 HG SER 16 -12.797 1.363 9.704 117 H PHE 17 H PHE 17 -11.973 2.489 4.435 118 HA PHE 17 HA PHE 17 -9.366 3.351 4.294 119 HB2 PHE 17 2HB PHE 17 -10.819 2.049 2.611 120 HB3 PHE 17 3HB PHE 17 -11.359 3.598 2.005 121 HD1 PHE 17 HD1 PHE 17 -9.584 5.200 1.015 122 HD2 PHE 17 HD2 PHE 17 -8.770 1.080 1.990 123 HE1 PHE 17 HE1 PHE 17 -7.623 5.226 -0.502 124 HE2 PHE 17 HE2 PHE 17 -6.837 1.098 0.440 125 HZ PHE 17 HZ PHE 17 -6.263 3.176 -0.809 126 H ALA 18 H ALA 18 -12.271 5.389 3.675 127 HA ALA 18 HA ALA 18 -10.763 7.663 2.865 128 HB1 ALA 18 3HB ALA 18 -12.888 8.881 3.127 129 HB2 ALA 18 1HB ALA 18 -13.126 7.337 2.289 130 HB3 ALA 18 2HB ALA 18 -13.582 7.499 4.006 131 H THR 19 H THR 19 -11.721 6.548 6.089 132 HA THR 19 HA THR 19 -10.837 9.001 7.442 133 HB THR 19 HB THR 19 -11.394 6.271 8.670 134 HG1 THR 19 HG1 THR 19 -13.230 8.368 8.132 135 HG21 THR 19 3HG2 THR 19 -12.165 7.634 10.615 136 HG22 THR 19 1HG2 THR 19 -11.610 9.106 9.781 137 HG23 THR 19 2HG2 THR 19 -10.447 7.854 10.270 138 H ASP 20 H ASP 20 -9.416 5.853 6.643 139 HA ASP 20 HA ASP 20 -7.091 6.351 8.391 140 HB2 ASP 20 2HB ASP 20 -7.832 4.037 6.561 141 HB3 ASP 20 3HB ASP 20 -6.394 4.084 7.578 142 H VAL 21 H VAL 21 -7.739 6.368 4.926 143 HA VAL 21 HA VAL 21 -4.859 6.929 4.337 144 HB VAL 21 HB VAL 21 -7.033 6.012 2.422 145 HG11 VAL 21 1HG1 VAL 21 -4.011 5.992 2.143 146 HG12 VAL 21 2HG1 VAL 21 -5.199 5.445 0.951 147 HG13 VAL 21 3HG1 VAL 21 -5.101 7.160 1.356 148 HG21 VAL 21 3HG2 VAL 21 -6.653 4.223 4.066 149 HG22 VAL 21 1HG2 VAL 21 -5.964 3.794 2.509 150 HG23 VAL 21 2HG2 VAL 21 -4.892 4.351 3.816 151 H LEU 22 H LEU 22 -8.136 7.885 3.183 152 HA LEU 22 HA LEU 22 -7.007 10.120 1.750 153 HB2 LEU 22 2HB LEU 22 -9.943 9.614 2.241 154 HB3 LEU 22 3HB LEU 22 -9.216 10.570 0.962 155 HG LEU 22 HG LEU 22 -8.958 7.547 1.257 156 HD11 LEU 22 1HD1 LEU 22 -11.219 8.302 0.587 157 HD12 LEU 22 2HD1 LEU 22 -10.392 7.445 -0.721 158 HD13 LEU 22 3HD1 LEU 22 -10.509 9.217 -0.758 159 HD21 LEU 22 3HD2 LEU 22 -7.978 7.564 -0.985 160 HD22 LEU 22 1HD2 LEU 22 -6.964 8.479 0.132 161 HD23 LEU 22 2HD2 LEU 22 -8.023 9.333 -1.014 162 H SER 23 H SER 23 -7.986 9.898 5.025 163 HA SER 23 HA SER 23 -8.590 12.747 5.343 164 HB2 SER 23 2HB SER 23 -8.205 10.536 7.341 165 HB3 SER 23 3HB SER 23 -8.577 12.216 7.769 166 HG SER 23 HG SER 23 -10.129 10.600 6.004 167 H SER 24 H SER 24 -5.613 10.964 5.116 168 HA SER 24 HA SER 24 -4.086 12.469 7.030 169 HB2 SER 24 2HB SER 24 -3.367 10.478 4.847 170 HB3 SER 24 3HB SER 24 -2.232 11.142 6.025 171 HG SER 24 HG SER 24 -3.191 9.099 6.663 172 H ASN 25 H ASN 25 -3.003 14.318 6.761 173 HA ASN 25 HA ASN 25 -2.710 15.581 4.133 174 HB2 ASN 25 2HB ASN 25 -1.612 16.419 6.842 175 HB3 ASN 25 3HB ASN 25 -1.660 17.401 5.377 176 HD21 ASN 25 1HD2 ASN 25 -4.051 17.522 4.362 177 HD22 ASN 25 2HD2 ASN 25 -5.266 17.885 5.589 178 H LYS 26 H LYS 26 -0.785 13.488 6.114 179 HA LYS 26 HA LYS 26 1.792 13.953 4.800 180 HB2 LYS 26 2HB LYS 26 1.428 13.013 7.165 181 HB3 LYS 26 3HB LYS 26 0.827 11.542 6.400 182 HG2 LYS 26 2HG LYS 26 3.191 11.606 5.158 183 HG3 LYS 26 3HG LYS 26 3.644 12.650 6.505 184 HD2 LYS 26 2HD LYS 26 2.531 9.827 6.609 185 HD3 LYS 26 3HD LYS 26 4.227 10.271 6.847 186 HE2 LYS 26 2HE LYS 26 3.691 11.406 8.939 187 HE3 LYS 26 3HE LYS 26 1.958 11.157 8.670 188 HZ1 LYS 26 3HZ LYS 26 3.947 8.977 9.104 189 HZ2 LYS 26 1HZ LYS 26 2.353 8.753 8.752 190 HZ3 LYS 26 2HZ LYS 26 2.800 9.464 10.157 191 HA PRO 27 HA PRO 27 0.891 11.224 1.250 192 HB2 PRO 27 2HB PRO 27 3.451 10.174 0.841 193 HB3 PRO 27 3HB PRO 27 2.825 11.688 0.147 194 HG2 PRO 27 2HG PRO 27 4.465 11.325 2.664 195 HG3 PRO 27 3HG PRO 27 4.688 12.541 1.368 196 HD2 PRO 27 2HD PRO 27 3.463 13.194 3.665 197 HD3 PRO 27 3HD PRO 27 2.790 13.782 2.122 198 H VAL 28 H VAL 28 0.310 9.116 1.057 199 HA VAL 28 HA VAL 28 1.056 7.210 3.184 200 HB VAL 28 HB VAL 28 -0.896 8.254 4.049 201 HG11 VAL 28 1HG1 VAL 28 -3.058 8.273 2.931 202 HG12 VAL 28 2HG1 VAL 28 -1.884 9.212 2.011 203 HG13 VAL 28 3HG1 VAL 28 -2.340 7.578 1.468 204 HG21 VAL 28 3HG2 VAL 28 -1.740 5.567 2.883 205 HG22 VAL 28 1HG2 VAL 28 -0.735 5.784 4.325 206 HG23 VAL 28 2HG2 VAL 28 -2.400 6.371 4.321 207 H LEU 29 H LEU 29 1.297 5.221 2.564 208 HA LEU 29 HA LEU 29 0.900 4.502 -0.311 209 HB2 LEU 29 2HB LEU 29 3.231 4.848 0.794 210 HB3 LEU 29 3HB LEU 29 2.881 3.388 1.699 211 HG LEU 29 HG LEU 29 3.417 3.759 -1.258 212 HD11 LEU 29 1HD1 LEU 29 4.528 1.927 0.911 213 HD12 LEU 29 2HD1 LEU 29 5.266 3.433 0.343 214 HD13 LEU 29 3HD1 LEU 29 5.125 2.042 -0.756 215 HD21 LEU 29 3HD2 LEU 29 2.232 1.237 -0.027 216 HD22 LEU 29 1HD2 LEU 29 3.056 1.316 -1.597 217 HD23 LEU 29 2HD2 LEU 29 1.563 2.211 -1.371 218 H VAL 30 H VAL 30 -0.536 2.869 -0.665 219 HA VAL 30 HA VAL 30 -1.140 0.963 1.560 220 HB VAL 30 HB VAL 30 -3.121 1.718 -0.581 221 HG11 VAL 30 1HG1 VAL 30 -3.472 -0.442 0.572 222 HG12 VAL 30 2HG1 VAL 30 -3.365 0.371 2.149 223 HG13 VAL 30 3HG1 VAL 30 -4.705 0.723 1.047 224 HG21 VAL 30 3HG2 VAL 30 -2.910 2.927 2.202 225 HG22 VAL 30 1HG2 VAL 30 -2.745 3.788 0.656 226 HG23 VAL 30 2HG2 VAL 30 -4.295 3.079 1.099 227 H ASP 31 H ASP 31 -0.592 -1.033 1.191 228 HA ASP 31 HA ASP 31 0.032 -2.010 -1.551 229 HB2 ASP 31 2HB ASP 31 1.805 -2.108 0.092 230 HB3 ASP 31 3HB ASP 31 0.765 -2.957 1.238 231 H PHE 32 H PHE 32 -1.516 -3.088 -2.570 232 HA PHE 32 HA PHE 32 -3.618 -4.602 -1.124 233 HB2 PHE 32 2HB PHE 32 -3.409 -3.703 -4.009 234 HB3 PHE 32 3HB PHE 32 -4.636 -4.775 -3.384 235 HD1 PHE 32 HD1 PHE 32 -3.166 -1.371 -2.507 236 HD2 PHE 32 HD2 PHE 32 -6.691 -3.838 -2.865 237 HE1 PHE 32 HE1 PHE 32 -4.594 0.544 -1.862 238 HE2 PHE 32 HE2 PHE 32 -8.096 -1.874 -2.328 239 HZ PHE 32 HZ PHE 32 -7.040 0.349 -1.882 240 H TRP 33 H TRP 33 -3.180 -6.617 -0.708 241 HA TRP 33 HA TRP 33 -1.449 -8.260 -2.491 242 HB2 TRP 33 2HB TRP 33 0.109 -8.662 -0.785 243 HB3 TRP 33 3HB TRP 33 -0.162 -6.941 -0.691 244 HD1 TRP 33 HD1 TRP 33 -2.041 -6.227 1.308 245 HE1 TRP 33 HE1 TRP 33 -2.405 -7.221 3.650 246 HE3 TRP 33 HE3 TRP 33 0.494 -10.642 0.725 247 HZ2 TRP 33 HZ2 TRP 33 -1.693 -9.617 5.082 248 HZ3 TRP 33 HZ3 TRP 33 0.627 -12.264 2.591 249 HH2 TRP 33 HH2 TRP 33 -0.475 -11.772 4.764 250 H ALA 34 H ALA 34 -1.305 -10.597 -1.606 251 HA ALA 34 HA ALA 34 -3.525 -11.396 0.169 252 HB1 ALA 34 3HB ALA 34 -3.077 -12.650 -2.583 253 HB2 ALA 34 1HB ALA 34 -4.227 -13.201 -1.346 254 HB3 ALA 34 2HB ALA 34 -4.457 -11.635 -2.125 255 H THR 35 H THR 35 -3.231 -13.328 1.265 256 HA THR 35 HA THR 35 -0.565 -14.293 1.752 257 HB THR 35 HB THR 35 -1.794 -16.141 2.973 258 HG1 THR 35 HG1 THR 35 -4.035 -15.878 3.160 259 HG21 THR 35 3HG2 THR 35 -2.698 -13.302 3.624 260 HG22 THR 35 1HG2 THR 35 -1.178 -14.066 4.143 261 HG23 THR 35 2HG2 THR 35 -2.725 -14.695 4.728 262 H TRP 36 H TRP 36 -3.039 -15.266 -0.537 263 HA TRP 36 HA TRP 36 -1.784 -17.838 -1.129 264 HB2 TRP 36 2HB TRP 36 -3.727 -18.030 -2.718 265 HB3 TRP 36 3HB TRP 36 -4.077 -17.908 -1.016 266 HD1 TRP 36 HD1 TRP 36 -5.895 -16.318 -0.328 267 HE1 TRP 36 HE1 TRP 36 -7.379 -14.618 -1.467 268 HE3 TRP 36 HE3 TRP 36 -3.300 -15.812 -4.737 269 HZ2 TRP 36 HZ2 TRP 36 -7.308 -12.985 -3.853 270 HZ3 TRP 36 HZ3 TRP 36 -3.982 -14.073 -6.368 271 HH2 TRP 36 HH2 TRP 36 -5.996 -12.676 -5.954 272 H CYS 37 H CYS 37 -0.684 -14.928 -2.045 273 HA CYS 37 HA CYS 37 -0.057 -15.782 -4.850 274 HB2 CYS 37 2HB CYS 37 -1.717 -13.994 -4.721 275 HB3 CYS 37 3HB CYS 37 -0.619 -13.012 -3.754 276 HG CYS 37 HG CYS 37 -0.803 -12.185 -6.302 277 H GLY 38 H GLY 38 1.997 -16.025 -5.381 278 HA2 GLY 38 2HA GLY 38 4.150 -15.836 -3.560 279 HA3 GLY 38 3HA GLY 38 4.292 -16.059 -5.296 280 HA PRO 39 HA PRO 39 5.782 -11.866 -5.653 281 HB2 PRO 39 2HB PRO 39 4.128 -10.332 -7.260 282 HB3 PRO 39 3HB PRO 39 5.295 -11.553 -7.828 283 HG2 PRO 39 2HG PRO 39 2.328 -11.897 -7.365 284 HG3 PRO 39 3HG PRO 39 3.299 -12.424 -8.772 285 HD2 PRO 39 2HD PRO 39 2.646 -14.160 -6.814 286 HD3 PRO 39 3HD PRO 39 4.268 -14.210 -7.551 287 H CYS 40 H CYS 40 2.440 -12.054 -4.447 288 HA CYS 40 HA CYS 40 2.522 -9.516 -3.019 289 HB2 CYS 40 2HB CYS 40 0.921 -12.052 -2.520 290 HB3 CYS 40 3HB CYS 40 0.762 -10.572 -1.598 291 HG CYS 40 HG CYS 40 0.443 -10.920 -4.884 292 H LYS 41 H LYS 41 3.345 -12.905 -2.059 293 HA LYS 41 HA LYS 41 4.440 -12.282 0.521 294 HB2 LYS 41 2HB LYS 41 5.156 -14.490 -1.459 295 HB3 LYS 41 3HB LYS 41 5.766 -14.417 0.173 296 HG2 LYS 41 2HG LYS 41 2.779 -14.517 -0.417 297 HG3 LYS 41 3HG LYS 41 3.796 -15.956 -0.300 298 HD2 LYS 41 2HD LYS 41 4.491 -15.245 2.005 299 HD3 LYS 41 3HD LYS 41 3.319 -13.906 1.907 300 HE2 LYS 41 2HE LYS 41 1.489 -15.501 1.550 301 HE3 LYS 41 3HE LYS 41 2.625 -16.847 1.479 302 HZ1 LYS 41 3HZ LYS 41 1.600 -16.689 3.678 303 HZ2 LYS 41 1HZ LYS 41 2.161 -15.166 3.894 304 HZ3 LYS 41 2HZ LYS 41 3.202 -16.422 3.807 305 H MET 42 H MET 42 5.929 -12.001 -2.692 306 HA MET 42 HA MET 42 8.587 -11.441 -1.697 307 HB2 MET 42 2HB MET 42 7.290 -10.786 -4.365 308 HB3 MET 42 3HB MET 42 8.998 -10.560 -4.003 309 HG2 MET 42 2HG MET 42 9.334 -12.922 -3.642 310 HG3 MET 42 3HG MET 42 7.609 -13.248 -3.774 311 HE1 MET 42 3HE MET 42 8.849 -15.038 -6.961 312 HE2 MET 42 1HE MET 42 9.606 -14.990 -5.354 313 HE3 MET 42 2HE MET 42 7.839 -15.134 -5.501 314 H VAL 43 H VAL 43 5.885 -9.212 -2.552 315 HA VAL 43 HA VAL 43 7.631 -6.892 -2.027 316 HB VAL 43 HB VAL 43 6.083 -7.057 -3.970 317 HG11 VAL 43 1HG1 VAL 43 3.902 -6.345 -1.963 318 HG12 VAL 43 2HG1 VAL 43 3.762 -6.413 -3.725 319 HG13 VAL 43 3HG1 VAL 43 4.057 -7.898 -2.811 320 HG21 VAL 43 3HG2 VAL 43 7.118 -4.923 -3.190 321 HG22 VAL 43 1HG2 VAL 43 5.563 -4.715 -4.017 322 HG23 VAL 43 2HG2 VAL 43 5.640 -4.604 -2.253 323 H ALA 44 H ALA 44 4.994 -8.502 -0.278 324 HA ALA 44 HA ALA 44 4.339 -6.553 1.596 325 HB1 ALA 44 3HB ALA 44 3.197 -8.685 1.407 326 HB2 ALA 44 1HB ALA 44 4.634 -9.561 1.977 327 HB3 ALA 44 2HB ALA 44 3.766 -8.458 3.069 328 HA PRO 45 HA PRO 45 8.016 -7.493 4.488 329 HB2 PRO 45 2HB PRO 45 10.336 -8.622 3.558 330 HB3 PRO 45 3HB PRO 45 8.961 -9.566 4.211 331 HG2 PRO 45 2HG PRO 45 9.570 -8.944 1.303 332 HG3 PRO 45 3HG PRO 45 9.200 -10.540 2.038 333 HD2 PRO 45 2HD PRO 45 7.285 -9.115 0.821 334 HD3 PRO 45 3HD PRO 45 6.920 -9.971 2.345 335 H VAL 46 H VAL 46 8.520 -6.394 1.150 336 HA VAL 46 HA VAL 46 10.772 -4.602 1.806 337 HB VAL 46 HB VAL 46 8.960 -4.892 -0.620 338 HG11 VAL 46 1HG1 VAL 46 11.031 -2.765 -0.055 339 HG12 VAL 46 2HG1 VAL 46 10.520 -3.224 -1.706 340 HG13 VAL 46 3HG1 VAL 46 9.351 -2.561 -0.563 341 HG21 VAL 46 3HG2 VAL 46 11.033 -5.557 -1.724 342 HG22 VAL 46 1HG2 VAL 46 11.954 -5.283 -0.223 343 HG23 VAL 46 2HG2 VAL 46 10.745 -6.583 -0.317 344 H LEU 47 H LEU 47 7.270 -4.380 1.312 345 HA LEU 47 HA LEU 47 6.972 -1.613 2.023 346 HB2 LEU 47 2HB LEU 47 5.214 -4.049 1.670 347 HB3 LEU 47 3HB LEU 47 4.526 -2.629 2.424 348 HG LEU 47 HG LEU 47 4.284 -2.950 -0.122 349 HD11 LEU 47 1HD1 LEU 47 3.633 -0.894 1.089 350 HD12 LEU 47 2HD1 LEU 47 4.412 -0.447 -0.439 351 HD13 LEU 47 3HD1 LEU 47 5.315 -0.327 1.076 352 HD21 LEU 47 3HD2 LEU 47 5.935 -1.971 -1.575 353 HD22 LEU 47 1HD2 LEU 47 6.686 -3.301 -0.691 354 HD23 LEU 47 2HD2 LEU 47 7.010 -1.616 -0.224 355 H GLU 48 H GLU 48 6.948 -4.585 4.023 356 HA GLU 48 HA GLU 48 6.181 -3.177 6.414 357 HB2 GLU 48 2HB GLU 48 5.968 -5.661 5.867 358 HB3 GLU 48 3HB GLU 48 7.671 -5.816 6.335 359 HG2 GLU 48 2HG GLU 48 7.147 -4.957 8.570 360 HG3 GLU 48 3HG GLU 48 5.491 -4.573 8.072 361 H GLU 49 H GLU 49 9.438 -3.976 5.062 362 HA GLU 49 HA GLU 49 10.953 -2.701 7.165 363 HB2 GLU 49 2HB GLU 49 11.459 -3.097 4.188 364 HB3 GLU 49 3HB GLU 49 12.532 -2.147 5.216 365 HG2 GLU 49 2HG GLU 49 12.836 -4.109 6.710 366 HG3 GLU 49 3HG GLU 49 11.837 -5.078 5.624 367 H ILE 50 H ILE 50 9.468 -1.358 4.162 368 HA ILE 50 HA ILE 50 10.246 1.353 4.676 369 HB ILE 50 HB ILE 50 8.030 0.106 3.034 370 HG12 ILE 50 2HG1 ILE 50 10.514 1.572 2.055 371 HG13 ILE 50 3HG1 ILE 50 10.603 -0.125 2.495 372 HG21 ILE 50 1HG2 ILE 50 8.852 3.044 3.020 373 HG22 ILE 50 2HG2 ILE 50 7.700 2.260 1.912 374 HG23 ILE 50 3HG2 ILE 50 7.304 2.401 3.605 375 HD11 ILE 50 3HD1 ILE 50 8.921 -0.724 0.835 376 HD12 ILE 50 1HD1 ILE 50 8.733 0.961 0.369 377 HD13 ILE 50 2HD1 ILE 50 10.279 0.138 0.086 378 H ALA 51 H ALA 51 7.267 -0.425 5.706 379 HA ALA 51 HA ALA 51 6.101 1.759 7.117 380 HB1 ALA 51 3HB ALA 51 4.969 -0.410 6.509 381 HB2 ALA 51 1HB ALA 51 5.922 -1.213 7.775 382 HB3 ALA 51 2HB ALA 51 4.768 0.063 8.207 383 H THR 52 H THR 52 8.652 -0.504 8.102 384 HA THR 52 HA THR 52 8.685 0.333 10.898 385 HB THR 52 HB THR 52 10.836 -1.063 9.244 386 HG1 THR 52 HG1 THR 52 8.920 -2.233 9.285 387 HG21 THR 52 3HG2 THR 52 11.772 -0.220 11.343 388 HG22 THR 52 1HG2 THR 52 11.599 -1.973 11.409 389 HG23 THR 52 2HG2 THR 52 10.426 -0.935 12.255 390 H GLU 53 H GLU 53 10.724 1.102 8.055 391 HA GLU 53 HA GLU 53 12.401 2.892 9.656 392 HB2 GLU 53 2HB GLU 53 12.512 2.106 6.720 393 HB3 GLU 53 3HB GLU 53 13.746 3.010 7.606 394 HG2 GLU 53 2HG GLU 53 13.881 1.031 9.221 395 HG3 GLU 53 3HG GLU 53 12.910 0.119 8.089 396 H ARG 54 H ARG 54 9.774 3.370 7.380 397 HA ARG 54 HA ARG 54 10.393 6.294 7.209 398 HB2 ARG 54 2HB ARG 54 9.003 4.523 5.156 399 HB3 ARG 54 3HB ARG 54 9.265 6.239 4.994 400 HG2 ARG 54 2HG ARG 54 11.527 4.209 5.232 401 HG3 ARG 54 3HG ARG 54 10.903 4.883 3.720 402 HD2 ARG 54 2HD ARG 54 11.469 7.148 4.421 403 HD3 ARG 54 3HD ARG 54 12.037 6.567 5.996 404 HE ARG 54 HE ARG 54 13.545 5.184 4.087 405 HH11 ARG 54 1HH1 ARG 54 13.109 8.550 5.100 406 HH12 ARG 54 2HH1 ARG 54 14.765 8.938 4.633 407 HH21 ARG 54 1HH2 ARG 54 15.682 5.830 3.658 408 HH22 ARG 54 2HH2 ARG 54 16.103 7.514 3.892 409 H ALA 55 H ALA 55 8.487 4.710 9.150 410 HA ALA 55 HA ALA 55 5.881 5.618 8.830 411 HB1 ALA 55 3HB ALA 55 7.532 5.506 11.391 412 HB2 ALA 55 1HB ALA 55 5.757 5.516 11.293 413 HB3 ALA 55 2HB ALA 55 6.667 4.146 10.637 414 H THR 56 H THR 56 8.659 7.653 9.680 415 HA THR 56 HA THR 56 7.061 10.016 10.371 416 HB THR 56 HB THR 56 9.349 11.100 10.424 417 HG1 THR 56 HG1 THR 56 11.103 9.682 10.351 418 HG21 THR 56 3HG2 THR 56 9.043 8.573 12.111 419 HG22 THR 56 1HG2 THR 56 8.297 10.147 12.464 420 HG23 THR 56 2HG2 THR 56 10.061 9.982 12.482 421 H ASP 57 H ASP 57 8.390 8.705 7.423 422 HA ASP 57 HA ASP 57 8.189 11.319 5.983 423 HB2 ASP 57 2HB ASP 57 9.331 8.624 5.157 424 HB3 ASP 57 3HB ASP 57 9.252 10.044 4.125 425 H LEU 58 H LEU 58 6.751 8.119 6.183 426 HA LEU 58 HA LEU 58 4.501 8.830 4.370 427 HB2 LEU 58 2HB LEU 58 6.104 6.232 4.435 428 HB3 LEU 58 3HB LEU 58 4.625 6.472 3.516 429 HG LEU 58 HG LEU 58 7.234 7.966 3.012 430 HD11 LEU 58 1HD1 LEU 58 5.955 5.635 1.527 431 HD12 LEU 58 2HD1 LEU 58 7.423 5.561 2.526 432 HD13 LEU 58 3HD1 LEU 58 7.419 6.519 1.037 433 HD21 LEU 58 3HD2 LEU 58 4.652 7.787 1.383 434 HD22 LEU 58 1HD2 LEU 58 6.158 8.579 0.859 435 HD23 LEU 58 2HD2 LEU 58 5.259 9.223 2.237 436 H THR 59 H THR 59 2.535 7.865 4.975 437 HA THR 59 HA THR 59 2.534 6.057 7.384 438 HB THR 59 HB THR 59 0.204 7.337 5.928 439 HG1 THR 59 HG1 THR 59 0.012 8.392 7.927 440 HG21 THR 59 3HG2 THR 59 -0.467 5.125 6.821 441 HG22 THR 59 1HG2 THR 59 -1.152 6.424 7.800 442 HG23 THR 59 2HG2 THR 59 0.265 5.530 8.392 443 H VAL 60 H VAL 60 2.223 3.851 7.078 444 HA VAL 60 HA VAL 60 2.067 2.955 4.217 445 HB VAL 60 HB VAL 60 3.949 1.805 6.293 446 HG11 VAL 60 1HG1 VAL 60 4.976 0.760 4.267 447 HG12 VAL 60 2HG1 VAL 60 3.311 0.223 4.507 448 HG13 VAL 60 3HG1 VAL 60 3.679 1.443 3.267 449 HG21 VAL 60 3HG2 VAL 60 4.576 3.721 4.002 450 HG22 VAL 60 1HG2 VAL 60 4.694 4.099 5.737 451 HG23 VAL 60 2HG2 VAL 60 5.758 2.895 5.046 452 H ALA 61 H ALA 61 0.483 1.614 3.857 453 HA ALA 61 HA ALA 61 -0.702 0.049 6.100 454 HB1 ALA 61 3HB ALA 61 -1.904 2.163 5.620 455 HB2 ALA 61 1HB ALA 61 -2.090 1.664 3.928 456 HB3 ALA 61 2HB ALA 61 -2.892 0.742 5.217 457 H LYS 62 H LYS 62 -2.047 -1.694 5.544 458 HA LYS 62 HA LYS 62 -1.511 -3.049 2.920 459 HB2 LYS 62 2HB LYS 62 -1.878 -4.255 5.690 460 HB3 LYS 62 3HB LYS 62 -1.819 -5.174 4.184 461 HG2 LYS 62 2HG LYS 62 0.496 -4.348 3.762 462 HG3 LYS 62 3HG LYS 62 0.450 -3.478 5.311 463 HD2 LYS 62 2HD LYS 62 0.009 -5.642 6.483 464 HD3 LYS 62 3HD LYS 62 0.152 -6.494 4.932 465 HE2 LYS 62 2HE LYS 62 2.496 -5.716 4.713 466 HE3 LYS 62 3HE LYS 62 2.342 -4.811 6.224 467 HZ1 LYS 62 3HZ LYS 62 1.868 -6.987 7.329 468 HZ2 LYS 62 1HZ LYS 62 3.372 -6.924 6.731 469 HZ3 LYS 62 2HZ LYS 62 2.211 -7.767 5.936 470 H LEU 63 H LEU 63 -3.161 -3.814 1.798 471 HA LEU 63 HA LEU 63 -5.816 -4.191 3.107 472 HB2 LEU 63 2HB LEU 63 -5.802 -2.223 1.560 473 HB3 LEU 63 3HB LEU 63 -5.310 -3.264 0.245 474 HG LEU 63 HG LEU 63 -7.681 -2.656 0.180 475 HD11 LEU 63 1HD1 LEU 63 -7.597 -5.623 0.784 476 HD12 LEU 63 2HD1 LEU 63 -6.885 -4.920 -0.683 477 HD13 LEU 63 3HD1 LEU 63 -8.621 -4.761 -0.359 478 HD21 LEU 63 3HD2 LEU 63 -8.022 -4.264 2.746 479 HD22 LEU 63 1HD2 LEU 63 -9.298 -3.512 1.784 480 HD23 LEU 63 2HD2 LEU 63 -8.116 -2.495 2.597 481 H ASP 64 H ASP 64 -5.974 -6.355 3.374 482 HA ASP 64 HA ASP 64 -4.665 -8.226 1.503 483 HB2 ASP 64 2HB ASP 64 -4.722 -8.601 4.003 484 HB3 ASP 64 3HB ASP 64 -6.429 -8.850 3.878 485 H VAL 65 H VAL 65 -5.676 -8.571 -0.418 486 HA VAL 65 HA VAL 65 -8.411 -7.794 -0.844 487 HB VAL 65 HB VAL 65 -8.211 -8.578 -3.094 488 HG11 VAL 65 1HG1 VAL 65 -6.431 -7.148 -3.848 489 HG12 VAL 65 2HG1 VAL 65 -7.169 -6.423 -2.414 490 HG13 VAL 65 3HG1 VAL 65 -5.602 -7.242 -2.276 491 HG21 VAL 65 3HG2 VAL 65 -6.284 -9.664 -4.029 492 HG22 VAL 65 1HG2 VAL 65 -5.468 -9.693 -2.459 493 HG23 VAL 65 2HG2 VAL 65 -6.914 -10.689 -2.733 494 H ASP 66 H ASP 66 -7.171 -10.746 0.399 495 HA ASP 66 HA ASP 66 -9.513 -12.358 -0.346 496 HB2 ASP 66 2HB ASP 66 -7.101 -13.170 0.179 497 HB3 ASP 66 3HB ASP 66 -7.535 -12.944 1.875 498 H THR 67 H THR 67 -8.664 -10.075 2.144 499 HA THR 67 HA THR 67 -10.925 -10.863 3.920 500 HB THR 67 HB THR 67 -10.069 -9.337 5.532 501 HG1 THR 67 HG1 THR 67 -8.422 -8.382 3.469 502 HG21 THR 67 3HG2 THR 67 -7.716 -10.818 4.326 503 HG22 THR 67 1HG2 THR 67 -8.893 -11.459 5.486 504 HG23 THR 67 2HG2 THR 67 -7.815 -10.135 5.962 505 H ASN 68 H ASN 68 -9.956 -8.270 1.718 506 HA ASN 68 HA ASN 68 -12.735 -7.176 1.781 507 HB2 ASN 68 2HB ASN 68 -10.119 -5.653 2.063 508 HB3 ASN 68 3HB ASN 68 -11.656 -4.887 1.658 509 HD21 ASN 68 1HD2 ASN 68 -13.494 -5.217 3.262 510 HD22 ASN 68 2HD2 ASN 68 -13.027 -5.310 4.949 511 HA PRO 69 HA PRO 69 -11.439 -7.969 -2.609 512 HB2 PRO 69 2HB PRO 69 -14.381 -8.613 -2.724 513 HB3 PRO 69 3HB PRO 69 -13.012 -9.438 -3.530 514 HG2 PRO 69 2HG PRO 69 -14.180 -10.532 -1.340 515 HG3 PRO 69 3HG PRO 69 -12.395 -10.546 -1.504 516 HD2 PRO 69 2HD PRO 69 -14.120 -8.630 0.093 517 HD3 PRO 69 3HD PRO 69 -12.623 -9.481 0.578 518 H GLU 70 H GLU 70 -14.105 -6.172 -1.112 519 HA GLU 70 HA GLU 70 -14.964 -4.687 -3.387 520 HB2 GLU 70 2HB GLU 70 -15.152 -4.041 -0.419 521 HB3 GLU 70 3HB GLU 70 -16.007 -3.180 -1.707 522 HG2 GLU 70 2HG GLU 70 -17.114 -5.313 -2.385 523 HG3 GLU 70 3HG GLU 70 -16.329 -6.140 -1.039 524 H THR 71 H THR 71 -12.488 -3.852 -0.894 525 HA THR 71 HA THR 71 -12.024 -1.190 -1.733 526 HB THR 71 HB THR 71 -9.818 -2.902 -0.660 527 HG1 THR 71 HG1 THR 71 -11.920 -1.791 0.859 528 HG21 THR 71 3HG2 THR 71 -9.387 -0.465 -1.042 529 HG22 THR 71 1HG2 THR 71 -9.352 -0.883 0.678 530 HG23 THR 71 2HG2 THR 71 -10.772 -0.068 -0.013 531 H ALA 72 H ALA 72 -10.632 -4.243 -2.931 532 HA ALA 72 HA ALA 72 -8.578 -3.124 -4.554 533 HB1 ALA 72 3HB ALA 72 -10.096 -5.736 -4.931 534 HB2 ALA 72 1HB ALA 72 -8.482 -5.331 -5.553 535 HB3 ALA 72 2HB ALA 72 -8.743 -5.494 -3.809 536 H ARG 73 H ARG 73 -11.954 -3.984 -5.400 537 HA ARG 73 HA ARG 73 -11.627 -2.938 -8.116 538 HB2 ARG 73 2HB ARG 73 -13.949 -3.509 -8.466 539 HB3 ARG 73 3HB ARG 73 -13.045 -4.857 -7.781 540 HG2 ARG 73 2HG ARG 73 -13.997 -4.383 -5.547 541 HG3 ARG 73 3HG ARG 73 -14.920 -3.026 -6.210 542 HD2 ARG 73 2HD ARG 73 -15.203 -5.952 -7.027 543 HD3 ARG 73 3HD ARG 73 -16.253 -5.102 -5.903 544 HE ARG 73 HE ARG 73 -17.095 -3.708 -7.665 545 HH11 ARG 73 1HH1 ARG 73 -15.180 -6.364 -8.933 546 HH12 ARG 73 2HH1 ARG 73 -15.885 -6.219 -10.519 547 HH21 ARG 73 1HH2 ARG 73 -17.941 -3.593 -9.701 548 HH22 ARG 73 2HH2 ARG 73 -17.404 -4.696 -10.934 549 H ASN 74 H ASN 74 -12.910 -1.611 -5.108 550 HA ASN 74 HA ASN 74 -14.195 0.679 -6.179 551 HB2 ASN 74 2HB ASN 74 -14.382 -0.221 -3.857 552 HB3 ASN 74 3HB ASN 74 -12.745 0.334 -3.515 553 HD21 ASN 74 1HD2 ASN 74 -14.332 1.234 -1.732 554 HD22 ASN 74 2HD2 ASN 74 -14.866 2.886 -2.058 555 H PHE 75 H PHE 75 -10.746 0.197 -5.300 556 HA PHE 75 HA PHE 75 -10.099 2.918 -6.324 557 HB2 PHE 75 2HB PHE 75 -8.586 1.013 -4.530 558 HB3 PHE 75 3HB PHE 75 -7.889 2.488 -5.192 559 HD1 PHE 75 HD2 PHE 75 -8.821 4.731 -4.630 560 HD2 PHE 75 HD1 PHE 75 -10.238 1.142 -2.708 561 HE1 PHE 75 HE2 PHE 75 -9.964 6.101 -2.903 562 HE2 PHE 75 HE1 PHE 75 -11.387 2.513 -0.989 563 HZ PHE 75 HZ PHE 75 -11.269 4.994 -1.095 564 H GLN 76 H GLN 76 -10.490 0.141 -7.821 565 HA GLN 76 HA GLN 76 -9.669 -0.982 -9.561 566 HB2 GLN 76 2HB GLN 76 -10.375 1.251 -10.531 567 HB3 GLN 76 3HB GLN 76 -8.660 1.686 -10.563 568 HG2 GLN 76 2HG GLN 76 -8.285 -0.451 -11.961 569 HG3 GLN 76 3HG GLN 76 -10.038 -0.579 -12.066 570 HE21 GLN 76 1HE2 GLN 76 -11.205 1.146 -13.295 571 HE22 GLN 76 2HE2 GLN 76 -10.293 2.147 -14.418 572 H VAL 77 H VAL 77 -8.137 -1.717 -7.742 573 HA VAL 77 HA VAL 77 -5.380 -1.802 -8.847 574 HB VAL 77 HB VAL 77 -4.620 -1.870 -6.435 575 HG11 VAL 77 1HG1 VAL 77 -4.239 0.081 -7.872 576 HG12 VAL 77 2HG1 VAL 77 -5.799 0.756 -7.366 577 HG13 VAL 77 3HG1 VAL 77 -4.499 0.529 -6.181 578 HG21 VAL 77 3HG2 VAL 77 -6.762 -2.236 -5.332 579 HG22 VAL 77 1HG2 VAL 77 -5.968 -0.762 -4.756 580 HG23 VAL 77 2HG2 VAL 77 -7.337 -0.637 -5.864 581 H VAL 78 H VAL 78 -7.538 -3.577 -9.308 582 HA VAL 78 HA VAL 78 -7.525 -5.842 -7.579 583 HB VAL 78 HB VAL 78 -8.838 -6.944 -9.359 584 HG11 VAL 78 1HG1 VAL 78 -10.751 -5.453 -9.308 585 HG12 VAL 78 2HG1 VAL 78 -9.935 -5.450 -7.740 586 HG13 VAL 78 3HG1 VAL 78 -9.721 -4.081 -8.859 587 HG21 VAL 78 3HG2 VAL 78 -8.409 -4.405 -11.002 588 HG22 VAL 78 1HG2 VAL 78 -7.738 -6.007 -11.379 589 HG23 VAL 78 2HG2 VAL 78 -9.486 -5.757 -11.391 590 H SER 79 H SER 79 -5.318 -5.085 -10.133 591 HA SER 79 HA SER 79 -4.745 -7.786 -10.961 592 HB2 SER 79 2HB SER 79 -3.284 -5.203 -11.599 593 HB3 SER 79 3HB SER 79 -3.145 -6.744 -12.472 594 HG SER 79 HG SER 79 -4.619 -5.320 -13.498 595 H ILE 80 H ILE 80 -4.300 -8.043 -8.388 596 HA ILE 80 HA ILE 80 -2.108 -6.952 -7.261 597 HB ILE 80 HB ILE 80 -2.315 -8.865 -5.500 598 HG12 ILE 80 2HG1 ILE 80 -4.368 -10.088 -5.433 599 HG13 ILE 80 3HG1 ILE 80 -4.902 -9.454 -6.984 600 HG21 ILE 80 1HG2 ILE 80 -3.277 -6.547 -5.397 601 HG22 ILE 80 2HG2 ILE 80 -4.750 -7.157 -6.164 602 HG23 ILE 80 3HG2 ILE 80 -4.249 -7.770 -4.571 603 HD11 ILE 80 3HD1 ILE 80 -4.094 -11.803 -7.074 604 HD12 ILE 80 1HD1 ILE 80 -3.205 -10.743 -8.155 605 HD13 ILE 80 2HD1 ILE 80 -2.473 -11.252 -6.604 606 HA PRO 81 HA PRO 81 -0.621 -7.330 -5.332 607 HB2 PRO 81 2HB PRO 81 1.937 -6.433 -5.101 608 HB3 PRO 81 3HB PRO 81 1.429 -8.041 -4.520 609 HG2 PRO 81 2HG PRO 81 2.742 -7.336 -7.161 610 HG3 PRO 81 3HG PRO 81 3.196 -8.630 -6.015 611 HD2 PRO 81 2HD PRO 81 1.653 -9.143 -8.204 612 HD3 PRO 81 3HD PRO 81 1.327 -9.958 -6.645 613 H THR 82 H THR 82 -1.012 -5.189 -5.200 614 HA THR 82 HA THR 82 -0.076 -3.362 -7.360 615 HB THR 82 HB THR 82 -2.917 -3.234 -6.368 616 HG1 THR 82 HG1 THR 82 -3.593 -4.580 -7.766 617 HG21 THR 82 3HG2 THR 82 -3.221 -2.104 -8.601 618 HG22 THR 82 1HG2 THR 82 -1.496 -2.283 -8.899 619 HG23 THR 82 2HG2 THR 82 -2.061 -1.253 -7.563 620 H LEU 83 H LEU 83 0.394 -1.315 -6.655 621 HA LEU 83 HA LEU 83 -0.173 -0.679 -3.794 622 HB2 LEU 83 2HB LEU 83 2.394 0.107 -5.190 623 HB3 LEU 83 3HB LEU 83 1.941 0.291 -3.509 624 HG LEU 83 HG LEU 83 1.715 -2.423 -3.697 625 HD11 LEU 83 1HD1 LEU 83 4.025 -1.714 -5.571 626 HD12 LEU 83 2HD1 LEU 83 2.506 -2.468 -6.091 627 HD13 LEU 83 3HD1 LEU 83 3.583 -3.334 -4.993 628 HD21 LEU 83 3HD2 LEU 83 3.956 -2.562 -2.727 629 HD22 LEU 83 1HD2 LEU 83 3.006 -1.243 -2.036 630 HD23 LEU 83 2HD2 LEU 83 4.285 -0.879 -3.222 631 H ILE 84 H ILE 84 -0.827 1.335 -3.329 632 HA ILE 84 HA ILE 84 -0.925 3.362 -5.510 633 HB ILE 84 HB ILE 84 -3.150 2.334 -5.340 634 HG12 ILE 84 2HG1 ILE 84 -4.529 4.354 -4.787 635 HG13 ILE 84 3HG1 ILE 84 -3.069 5.181 -4.247 636 HG21 ILE 84 1HG2 ILE 84 -4.526 2.508 -3.352 637 HG22 ILE 84 2HG2 ILE 84 -3.071 1.542 -3.056 638 HG23 ILE 84 3HG2 ILE 84 -3.165 3.203 -2.447 639 HD11 ILE 84 3HD1 ILE 84 -2.149 5.008 -6.546 640 HD12 ILE 84 1HD1 ILE 84 -3.585 4.094 -7.056 641 HD13 ILE 84 2HD1 ILE 84 -3.733 5.791 -6.554 642 H LEU 85 H LEU 85 -0.103 5.265 -4.957 643 HA LEU 85 HA LEU 85 0.263 5.905 -2.059 644 HB2 LEU 85 2HB LEU 85 2.348 5.563 -3.280 645 HB3 LEU 85 3HB LEU 85 1.943 6.859 -4.401 646 HG LEU 85 HG LEU 85 1.969 7.447 -1.424 647 HD11 LEU 85 1HD1 LEU 85 4.380 7.948 -1.521 648 HD12 LEU 85 2HD1 LEU 85 4.454 7.288 -3.173 649 HD13 LEU 85 3HD1 LEU 85 4.056 6.233 -1.797 650 HD21 LEU 85 3HD2 LEU 85 1.300 9.278 -2.947 651 HD22 LEU 85 1HD2 LEU 85 2.814 9.085 -3.857 652 HD23 LEU 85 2HD2 LEU 85 2.833 9.640 -2.168 653 H PHE 86 H PHE 86 -0.795 7.565 -1.293 654 HA PHE 86 HA PHE 86 -2.047 9.576 -3.109 655 HB2 PHE 86 2HB PHE 86 -2.929 8.839 -0.304 656 HB3 PHE 86 3HB PHE 86 -3.729 9.944 -1.381 657 HD1 PHE 86 HD1 PHE 86 -2.990 6.370 -0.713 658 HD2 PHE 86 HD2 PHE 86 -5.337 9.153 -3.021 659 HE1 PHE 86 HE1 PHE 86 -4.517 4.544 -1.375 660 HE2 PHE 86 HE2 PHE 86 -6.823 7.302 -3.743 661 HZ PHE 86 HZ PHE 86 -6.423 4.985 -2.909 662 H LYS 87 H LYS 87 -1.902 11.774 -2.446 663 HA LYS 87 HA LYS 87 -0.213 12.424 -0.096 664 HB2 LYS 87 2HB LYS 87 1.111 12.387 -2.247 665 HB3 LYS 87 3HB LYS 87 0.188 13.812 -2.756 666 HG2 LYS 87 2HG LYS 87 1.120 15.134 -0.961 667 HG3 LYS 87 3HG LYS 87 1.775 13.698 -0.157 668 HD2 LYS 87 2HD LYS 87 3.207 13.274 -2.204 669 HD3 LYS 87 3HD LYS 87 2.682 14.828 -2.848 670 HE2 LYS 87 2HE LYS 87 4.162 14.400 -0.206 671 HE3 LYS 87 3HE LYS 87 4.939 14.808 -1.733 672 HZ1 LYS 87 3HZ LYS 87 3.660 16.890 -1.765 673 HZ2 LYS 87 1HZ LYS 87 4.560 16.799 -0.411 674 HZ3 LYS 87 2HZ LYS 87 2.954 16.532 -0.333 675 H ASP 88 H ASP 88 -1.115 13.972 1.144 676 HA ASP 88 HA ASP 88 -2.897 14.998 2.060 677 HB2 ASP 88 2HB ASP 88 -1.824 16.825 0.719 678 HB3 ASP 88 3HB ASP 88 -3.054 16.579 -0.520 679 H GLY 89 H GLY 89 -3.561 12.542 1.059 680 HA2 GLY 89 2HA GLY 89 -5.287 11.144 0.600 681 HA3 GLY 89 3HA GLY 89 -6.407 12.471 0.872 682 H GLN 90 H GLN 90 -4.268 13.267 -1.703 683 HA GLN 90 HA GLN 90 -6.307 12.506 -3.735 684 HB2 GLN 90 2HB GLN 90 -3.913 14.294 -4.195 685 HB3 GLN 90 3HB GLN 90 -5.394 14.166 -5.136 686 HG2 GLN 90 2HG GLN 90 -4.990 15.483 -2.426 687 HG3 GLN 90 3HG GLN 90 -5.432 16.253 -3.937 688 HE21 GLN 90 1HE2 GLN 90 -6.693 15.269 -1.002 689 HE22 GLN 90 2HE2 GLN 90 -8.381 15.116 -1.501 690 HA PRO 91 HA PRO 91 -3.504 9.215 -4.877 691 HB2 PRO 91 2HB PRO 91 -4.342 8.537 -7.397 692 HB3 PRO 91 3HB PRO 91 -5.249 8.148 -5.904 693 HG2 PRO 91 2HG PRO 91 -5.675 10.492 -7.788 694 HG3 PRO 91 3HG PRO 91 -6.906 9.375 -7.117 695 HD2 PRO 91 2HD PRO 91 -6.432 11.821 -6.013 696 HD3 PRO 91 3HD PRO 91 -6.809 10.401 -4.988 697 H VAL 92 H VAL 92 -1.507 9.053 -5.704 698 HA VAL 92 HA VAL 92 -0.507 11.166 -7.595 699 HB VAL 92 HB VAL 92 0.721 10.059 -5.053 700 HG11 VAL 92 1HG1 VAL 92 2.559 10.191 -6.674 701 HG12 VAL 92 2HG1 VAL 92 2.046 11.827 -7.152 702 HG13 VAL 92 3HG1 VAL 92 2.682 11.514 -5.522 703 HG21 VAL 92 3HG2 VAL 92 -0.807 11.923 -4.688 704 HG22 VAL 92 1HG2 VAL 92 0.853 12.524 -4.539 705 HG23 VAL 92 2HG2 VAL 92 -0.068 12.848 -6.013 706 H LYS 93 H LYS 93 0.115 7.798 -6.453 707 HA LYS 93 HA LYS 93 1.090 7.132 -9.188 708 HB2 LYS 93 2HB LYS 93 3.070 7.886 -7.942 709 HB3 LYS 93 3HB LYS 93 2.738 6.721 -6.655 710 HG2 LYS 93 2HG LYS 93 3.046 4.846 -8.250 711 HG3 LYS 93 3HG LYS 93 3.349 5.993 -9.559 712 HD2 LYS 93 2HD LYS 93 5.048 5.696 -7.037 713 HD3 LYS 93 3HD LYS 93 5.400 4.960 -8.608 714 HE2 LYS 93 2HE LYS 93 5.451 7.249 -9.637 715 HE3 LYS 93 3HE LYS 93 5.234 7.951 -8.026 716 HZ1 LYS 93 3HZ LYS 93 7.314 6.879 -7.359 717 HZ2 LYS 93 1HZ LYS 93 7.549 7.887 -8.634 718 HZ3 LYS 93 2HZ LYS 93 7.505 6.230 -8.860 719 H ARG 94 H ARG 94 0.449 5.223 -9.851 720 HA ARG 94 HA ARG 94 -0.290 3.070 -7.914 721 HB2 ARG 94 2HB ARG 94 -2.219 3.867 -9.213 722 HB3 ARG 94 3HB ARG 94 -1.360 3.530 -10.720 723 HG2 ARG 94 2HG ARG 94 -1.351 1.112 -10.205 724 HG3 ARG 94 3HG ARG 94 -2.055 1.428 -8.614 725 HD2 ARG 94 2HD ARG 94 -3.755 0.599 -10.152 726 HD3 ARG 94 3HD ARG 94 -4.122 2.259 -9.657 727 HE ARG 94 HE ARG 94 -2.649 2.375 -12.086 728 HH11 ARG 94 1HH2 ARG 94 -5.827 1.156 -11.134 729 HH12 ARG 94 2HH2 ARG 94 -6.527 1.634 -12.662 730 HH21 ARG 94 1HH1 ARG 94 -3.653 2.874 -14.019 731 HH22 ARG 94 2HH1 ARG 94 -5.343 2.510 -14.223 732 H ILE 95 H ILE 95 0.734 1.187 -8.042 733 HA ILE 95 HA ILE 95 2.705 0.631 -10.228 734 HB ILE 95 HB ILE 95 3.175 0.033 -7.289 735 HG12 ILE 95 2HG1 ILE 95 4.326 2.387 -8.845 736 HG13 ILE 95 3HG1 ILE 95 3.140 2.490 -7.541 737 HG21 ILE 95 1HG2 ILE 95 4.390 -1.419 -8.890 738 HG22 ILE 95 2HG2 ILE 95 5.073 0.027 -9.676 739 HG23 ILE 95 3HG2 ILE 95 5.497 -0.403 -8.004 740 HD11 ILE 95 3HD1 ILE 95 5.220 3.066 -6.589 741 HD12 ILE 95 1HD1 ILE 95 4.802 1.457 -5.972 742 HD13 ILE 95 2HD1 ILE 95 6.030 1.640 -7.252 743 H VAL 96 H VAL 96 2.814 -1.577 -10.828 744 HA VAL 96 HA VAL 96 1.277 -3.555 -9.243 745 HB VAL 96 HB VAL 96 -0.344 -3.046 -10.826 746 HG11 VAL 96 1HG1 VAL 96 1.746 -3.302 -13.038 747 HG12 VAL 96 2HG1 VAL 96 -0.001 -3.098 -13.289 748 HG13 VAL 96 3HG1 VAL 96 0.929 -1.806 -12.529 749 HG21 VAL 96 3HG2 VAL 96 -0.702 -5.072 -12.034 750 HG22 VAL 96 1HG2 VAL 96 1.018 -5.499 -11.978 751 HG23 VAL 96 2HG2 VAL 96 0.054 -5.459 -10.482 752 H GLY 97 H GLY 97 2.047 -5.573 -9.197 753 HA2 GLY 97 2HA GLY 97 3.567 -7.336 -9.544 754 HA3 GLY 97 3HA GLY 97 4.517 -6.351 -10.652 755 H ALA 98 H ALA 98 5.669 -7.913 -8.634 756 HA ALA 98 HA ALA 98 6.237 -6.316 -6.270 757 HB1 ALA 98 3HB ALA 98 6.056 -8.767 -6.189 758 HB2 ALA 98 1HB ALA 98 7.461 -8.923 -7.266 759 HB3 ALA 98 2HB ALA 98 7.654 -8.224 -5.645 760 H LYS 99 H LYS 99 8.032 -5.196 -5.737 761 HA LYS 99 HA LYS 99 10.427 -5.176 -7.501 762 HB2 LYS 99 2HB LYS 99 9.179 -2.658 -6.314 763 HB3 LYS 99 3HB LYS 99 10.697 -2.759 -7.198 764 HG2 LYS 99 2HG LYS 99 9.409 -3.601 -9.201 765 HG3 LYS 99 3HG LYS 99 7.910 -3.287 -8.308 766 HD2 LYS 99 2HD LYS 99 8.532 -0.872 -8.139 767 HD3 LYS 99 3HD LYS 99 10.013 -1.214 -9.065 768 HE2 LYS 99 2HE LYS 99 8.512 -2.189 -10.885 769 HE3 LYS 99 3HE LYS 99 7.124 -1.552 -10.001 770 HZ1 LYS 99 3HZ LYS 99 8.029 0.713 -10.340 771 HZ2 LYS 99 1HZ LYS 99 7.898 -0.046 -11.768 772 HZ3 LYS 99 2HZ LYS 99 9.360 0.100 -11.073 773 H GLY 100 H GLY 100 12.418 -4.869 -6.365 774 HA2 GLY 100 2HA GLY 100 12.405 -5.839 -3.611 775 HA3 GLY 100 3HA GLY 100 13.809 -5.480 -4.618 776 H LYS 101 H LYS 101 13.766 -4.718 -1.998 777 HA LYS 101 HA LYS 101 12.715 -2.265 -1.230 778 HB2 LYS 101 2HB LYS 101 14.308 -4.137 -0.067 779 HB3 LYS 101 3HB LYS 101 15.507 -2.886 -0.306 780 HG2 LYS 101 2HG LYS 101 12.899 -2.703 1.275 781 HG3 LYS 101 3HG LYS 101 14.529 -2.888 1.907 782 HD2 LYS 101 2HD LYS 101 15.097 -0.614 0.910 783 HD3 LYS 101 3HD LYS 101 13.378 -0.443 0.513 784 HE2 LYS 101 2HE LYS 101 13.845 0.730 2.557 785 HE3 LYS 101 3HE LYS 101 12.761 -0.621 2.881 786 HZ1 LYS 101 3HZ LYS 101 14.600 -0.417 4.532 787 HZ2 LYS 101 1HZ LYS 101 15.696 -0.711 3.366 788 HZ3 LYS 101 2HZ LYS 101 14.624 -1.878 3.798 789 H ALA 102 H ALA 102 15.546 -2.658 -3.295 790 HA ALA 102 HA ALA 102 16.400 0.117 -3.066 791 HB1 ALA 102 3HB ALA 102 17.862 -0.463 -4.982 792 HB2 ALA 102 1HB ALA 102 17.962 -1.670 -3.687 793 HB3 ALA 102 2HB ALA 102 17.025 -2.018 -5.157 794 H ALA 103 H ALA 103 14.576 -1.689 -5.579 795 HA ALA 103 HA ALA 103 14.056 0.642 -7.207 796 HB1 ALA 103 3HB ALA 103 12.615 -0.962 -8.457 797 HB2 ALA 103 1HB ALA 103 14.252 -1.583 -8.167 798 HB3 ALA 103 2HB ALA 103 12.897 -2.174 -7.184 799 H LEU 104 H LEU 104 12.117 -1.100 -4.691 800 HA LEU 104 HA LEU 104 9.796 0.556 -5.022 801 HB2 LEU 104 2HB LEU 104 10.283 -1.740 -3.701 802 HB3 LEU 104 3HB LEU 104 10.544 -0.637 -2.365 803 HG LEU 104 HG LEU 104 8.326 -1.386 -2.219 804 HD11 LEU 104 1HD1 LEU 104 7.927 1.262 -3.636 805 HD12 LEU 104 2HD1 LEU 104 8.551 1.096 -1.982 806 HD13 LEU 104 3HD1 LEU 104 6.920 0.525 -2.376 807 HD21 LEU 104 3HD2 LEU 104 6.655 -1.291 -4.030 808 HD22 LEU 104 1HD2 LEU 104 8.008 -2.361 -4.397 809 HD23 LEU 104 2HD2 LEU 104 7.913 -0.750 -5.159 810 H LEU 105 H LEU 105 12.771 0.919 -2.905 811 HA LEU 105 HA LEU 105 11.818 3.475 -1.991 812 HB2 LEU 105 2HB LEU 105 13.470 2.215 -0.698 813 HB3 LEU 105 3HB LEU 105 14.679 2.518 -1.948 814 HG LEU 105 HG LEU 105 14.572 4.964 -1.505 815 HD11 LEU 105 1HD1 LEU 105 12.506 4.239 0.631 816 HD12 LEU 105 2HD1 LEU 105 12.242 5.290 -0.780 817 HD13 LEU 105 3HD1 LEU 105 13.328 5.812 0.499 818 HD21 LEU 105 3HD2 LEU 105 15.528 4.955 0.734 819 HD22 LEU 105 1HD2 LEU 105 16.105 3.568 -0.201 820 HD23 LEU 105 2HD2 LEU 105 14.854 3.337 1.042 821 H ARG 106 H ARG 106 13.509 2.668 -5.085 822 HA ARG 106 HA ARG 106 13.900 5.513 -5.674 823 HB2 ARG 106 2HB ARG 106 13.318 3.288 -7.673 824 HB3 ARG 106 3HB ARG 106 13.869 4.914 -8.038 825 HG2 ARG 106 2HG ARG 106 15.431 2.667 -6.771 826 HG3 ARG 106 3HG ARG 106 15.772 3.564 -8.238 827 HD2 ARG 106 2HD ARG 106 16.210 5.608 -6.866 828 HD3 ARG 106 3HD ARG 106 15.957 4.667 -5.395 829 HE ARG 106 HE ARG 106 18.299 4.662 -7.138 830 HH11 ARG 106 1HH2 ARG 106 16.661 2.636 -4.764 831 HH12 ARG 106 2HH2 ARG 106 18.177 2.042 -4.135 832 HH21 ARG 106 2HH1 ARG 106 20.148 3.723 -6.378 833 HH22 ARG 106 1HH1 ARG 106 20.075 2.550 -5.099 834 H GLU 107 H GLU 107 11.187 3.337 -6.326 835 HA GLU 107 HA GLU 107 9.447 5.233 -7.492 836 HB2 GLU 107 2HB GLU 107 8.909 2.700 -5.928 837 HB3 GLU 107 3HB GLU 107 7.621 3.639 -6.671 838 HG2 GLU 107 2HG GLU 107 10.011 2.713 -8.312 839 HG3 GLU 107 3HG GLU 107 8.658 1.657 -7.953 840 H LEU 108 H LEU 108 10.040 4.586 -4.061 841 HA LEU 108 HA LEU 108 8.100 6.666 -3.230 842 HB2 LEU 108 2HB LEU 108 9.996 4.921 -1.622 843 HB3 LEU 108 3HB LEU 108 8.791 6.017 -0.947 844 HG LEU 108 HG LEU 108 8.195 3.588 -2.673 845 HD11 LEU 108 1HD1 LEU 108 9.082 3.091 -0.409 846 HD12 LEU 108 2HD1 LEU 108 7.389 2.600 -0.575 847 HD13 LEU 108 3HD1 LEU 108 7.800 4.086 0.305 848 HD21 LEU 108 3HD2 LEU 108 6.283 5.427 -1.187 849 HD22 LEU 108 1HD2 LEU 108 5.854 3.925 -2.046 850 HD23 LEU 108 2HD2 LEU 108 6.444 5.301 -2.957 851 H SER 109 H SER 109 11.644 6.438 -3.625 852 HA SER 109 HA SER 109 12.223 8.710 -2.052 853 HB2 SER 109 2HB SER 109 14.334 8.924 -3.027 854 HB3 SER 109 3HB SER 109 14.026 7.221 -2.723 855 HG SER 109 HG SER 109 14.980 7.689 -4.808 856 H ASP 110 H ASP 110 11.103 8.292 -5.348 857 HA ASP 110 HA ASP 110 11.097 10.870 -6.444 858 HB2 ASP 110 2HB ASP 110 10.265 8.638 -7.344 859 HB3 ASP 110 3HB ASP 110 8.803 8.875 -6.388 860 H VAL 111 H VAL 111 9.298 9.804 -3.601 861 HA VAL 111 HA VAL 111 7.972 12.457 -3.259 862 HB VAL 111 HB VAL 111 7.301 9.671 -2.235 863 HG11 VAL 111 1HG1 VAL 111 5.283 10.697 -1.209 864 HG12 VAL 111 2HG1 VAL 111 6.777 11.212 -0.430 865 HG13 VAL 111 3HG1 VAL 111 5.949 12.312 -1.560 866 HG21 VAL 111 3HG2 VAL 111 5.183 10.008 -3.460 867 HG22 VAL 111 1HG2 VAL 111 5.760 11.587 -4.038 868 HG23 VAL 111 2HG2 VAL 111 6.564 10.089 -4.551 869 H VAL 112 H VAL 112 10.148 10.080 -1.836 870 HA VAL 112 HA VAL 112 10.613 11.695 0.625 871 HB VAL 112 HB VAL 112 11.222 8.762 0.091 872 HG11 VAL 112 1HG1 VAL 112 11.510 8.682 2.568 873 HG12 VAL 112 2HG1 VAL 112 12.721 9.706 1.809 874 HG13 VAL 112 3HG1 VAL 112 11.334 10.449 2.639 875 HG21 VAL 112 3HG2 VAL 112 8.794 9.102 0.195 876 HG22 VAL 112 1HG2 VAL 112 9.358 8.342 1.681 877 HG23 VAL 112 2HG2 VAL 112 8.966 10.076 1.671 878 HA PRO 113 HA PRO 113 14.499 12.446 -1.778 879 HB2 PRO 113 2HB PRO 113 15.072 14.940 -0.799 880 HB3 PRO 113 3HB PRO 113 13.889 14.650 -2.110 881 HG2 PRO 113 2HG PRO 113 13.326 14.971 0.858 882 HG3 PRO 113 3HG PRO 113 12.547 15.828 -0.512 883 HD2 PRO 113 2HD PRO 113 11.405 13.652 0.612 884 HD3 PRO 113 3HD PRO 113 11.351 13.893 -1.162 885 H ASN 114 H ASN 114 13.724 12.057 1.511 886 HA ASN 114 HA ASN 114 16.428 12.223 2.602 887 HB2 ASN 114 2HB ASN 114 13.792 11.283 3.820 888 HB3 ASN 114 3HB ASN 114 15.288 11.572 4.708 889 HD21 ASN 114 1HD2 ASN 114 16.071 13.792 4.929 890 HD22 ASN 114 2HD2 ASN 114 14.945 15.118 4.684 891 H LEU 115 H LEU 115 15.859 10.170 0.417 892 HA LEU 115 HA LEU 115 15.650 7.588 1.388 893 HB2 LEU 115 2HB LEU 115 16.199 6.862 -0.729 894 HB3 LEU 115 3HB LEU 115 15.461 8.430 -0.988 895 HG LEU 115 HG LEU 115 18.467 7.844 -1.052 896 HD11 LEU 115 1HD1 LEU 115 16.589 8.404 -3.367 897 HD12 LEU 115 2HD1 LEU 115 17.177 6.786 -2.903 898 HD13 LEU 115 3HD1 LEU 115 18.318 8.025 -3.447 899 HD21 LEU 115 3HD2 LEU 115 18.093 10.213 -0.508 900 HD22 LEU 115 1HD2 LEU 115 16.930 10.357 -1.847 901 HD23 LEU 115 2HD2 LEU 115 18.651 10.058 -2.171 902 H ASN 116 H ASN 116 18.497 9.551 1.630 903 HA ASN 116 HA ASN 116 20.073 7.314 2.788 904 HB2 ASN 116 2HB ASN 116 20.721 7.439 0.416 905 HB3 ASN 116 3HB ASN 116 21.017 9.171 0.553 906 HD21 ASN 116 2HD2 ASN 116 22.667 9.758 2.312 907 HD22 ASN 116 1HD2 ASN 116 24.129 8.755 2.324 Start of MODEL 19 1 H1 MET 1 1H MET 1 3.546 -14.359 24.725 2 H2 MET 1 2H MET 1 4.574 -13.205 25.261 3 HA MET 1 HA MET 1 2.705 -12.239 24.094 4 HB2 MET 1 2HB MET 1 3.895 -10.713 22.677 5 HB3 MET 1 3HB MET 1 4.869 -11.044 24.102 6 HG2 MET 1 2HG MET 1 6.217 -12.684 22.716 7 HG3 MET 1 3HG MET 1 5.289 -12.167 21.303 8 HE1 MET 1 3HE MET 1 8.767 -10.609 20.559 9 HE2 MET 1 1HE MET 1 8.421 -12.183 21.309 10 HE3 MET 1 2HE MET 1 7.429 -11.607 19.948 11 H THR 2 H THR 2 1.437 -12.000 22.189 12 HA THR 2 HA THR 2 1.272 -14.400 20.510 13 HB THR 2 HB THR 2 -0.649 -13.097 19.474 14 HG1 THR 2 HG1 THR 2 -1.326 -11.286 20.629 15 HG21 THR 2 3HG2 THR 2 -0.996 -14.752 21.291 16 HG22 THR 2 1HG2 THR 2 -2.133 -13.400 21.403 17 HG23 THR 2 2HG2 THR 2 -0.739 -13.478 22.503 18 H ASP 3 H ASP 3 2.244 -11.021 20.065 19 HA ASP 3 HA ASP 3 3.704 -11.706 17.581 20 HB2 ASP 3 2HB ASP 3 1.598 -9.518 17.834 21 HB3 ASP 3 3HB ASP 3 2.856 -9.494 16.606 22 H SER 4 H SER 4 5.421 -10.248 17.110 23 HA SER 4 HA SER 4 6.637 -9.028 19.469 24 HB2 SER 4 2HB SER 4 7.781 -10.383 17.634 25 HB3 SER 4 3HB SER 4 7.678 -8.930 16.626 26 HG SER 4 HG SER 4 9.659 -9.208 17.835 27 H GLU 5 H GLU 5 4.960 -7.823 16.622 28 HA GLU 5 HA GLU 5 4.274 -5.784 15.929 29 HB2 GLU 5 2HB GLU 5 4.086 -5.233 18.900 30 HB3 GLU 5 3HB GLU 5 3.231 -4.378 17.617 31 HG2 GLU 5 2HG GLU 5 2.173 -6.518 16.965 32 HG3 GLU 5 3HG GLU 5 2.891 -7.258 18.392 33 H LYS 6 H LYS 6 7.127 -5.939 15.927 34 HA LYS 6 HA LYS 6 8.149 -3.325 16.787 35 HB2 LYS 6 2HB LYS 6 9.516 -5.562 15.239 36 HB3 LYS 6 3HB LYS 6 10.329 -4.179 15.969 37 HG2 LYS 6 2HG LYS 6 8.763 -6.265 17.534 38 HG3 LYS 6 3HG LYS 6 10.495 -6.332 17.262 39 HD2 LYS 6 2HD LYS 6 10.949 -4.494 18.649 40 HD3 LYS 6 3HD LYS 6 9.306 -3.869 18.562 41 HE2 LYS 6 2HE LYS 6 9.847 -4.841 20.771 42 HE3 LYS 6 3HE LYS 6 8.430 -5.548 19.997 43 HZ1 LYS 6 3HZ LYS 6 9.917 -7.218 20.996 44 HZ2 LYS 6 1HZ LYS 6 11.112 -6.818 19.954 45 HZ3 LYS 6 2HZ LYS 6 9.705 -7.471 19.401 46 H SER 7 H SER 7 6.668 -4.369 13.966 47 HA SER 7 HA SER 7 7.871 -2.254 12.258 48 HB2 SER 7 2HB SER 7 6.651 -3.380 10.418 49 HB3 SER 7 3HB SER 7 7.853 -4.402 11.222 50 HG SER 7 HG SER 7 5.906 -5.534 10.903 51 H ALA 8 H ALA 8 6.511 -0.880 10.991 52 HA ALA 8 HA ALA 8 4.232 0.113 12.610 53 HB1 ALA 8 3HB ALA 8 6.252 1.504 12.385 54 HB2 ALA 8 1HB ALA 8 6.015 1.546 10.624 55 HB3 ALA 8 2HB ALA 8 4.818 2.291 11.702 56 H THR 9 H THR 9 3.681 -2.032 10.693 57 HA THR 9 HA THR 9 2.152 -0.731 8.521 58 HB THR 9 HB THR 9 1.647 -3.085 7.832 59 HG1 THR 9 HG1 THR 9 2.929 -4.695 8.787 60 HG21 THR 9 3HG2 THR 9 4.615 -2.447 8.121 61 HG22 THR 9 1HG2 THR 9 3.541 -1.818 6.848 62 HG23 THR 9 2HG2 THR 9 3.874 -3.554 6.944 63 H ILE 10 H ILE 10 -0.021 -1.089 8.118 64 HA ILE 10 HA ILE 10 -1.817 -2.124 10.243 65 HB ILE 10 HB ILE 10 -3.324 -0.137 9.883 66 HG12 ILE 10 2HG1 ILE 10 -0.870 1.188 8.647 67 HG13 ILE 10 3HG1 ILE 10 -2.323 0.682 7.777 68 HG21 ILE 10 1HG2 ILE 10 -1.848 -0.456 11.897 69 HG22 ILE 10 2HG2 ILE 10 -0.640 0.596 11.127 70 HG23 ILE 10 3HG2 ILE 10 -2.243 1.229 11.556 71 HD11 ILE 10 3HD1 ILE 10 -2.165 2.845 9.904 72 HD12 ILE 10 1HD1 ILE 10 -2.440 3.048 8.169 73 HD13 ILE 10 2HD1 ILE 10 -3.676 2.253 9.167 74 H LYS 11 H LYS 11 -4.092 -2.407 9.405 75 HA LYS 11 HA LYS 11 -4.243 -2.402 6.442 76 HB2 LYS 11 2HB LYS 11 -5.499 -4.314 6.227 77 HB3 LYS 11 3HB LYS 11 -4.121 -4.764 7.221 78 HG2 LYS 11 2HG LYS 11 -5.509 -4.770 9.234 79 HG3 LYS 11 3HG LYS 11 -6.901 -4.142 8.344 80 HD2 LYS 11 2HD LYS 11 -5.586 -6.834 7.798 81 HD3 LYS 11 3HD LYS 11 -7.031 -6.582 8.787 82 HE2 LYS 11 2HE LYS 11 -8.200 -5.581 6.811 83 HE3 LYS 11 3HE LYS 11 -6.778 -5.915 5.818 84 HZ1 LYS 11 3HZ LYS 11 -7.091 -8.297 6.329 85 HZ2 LYS 11 1HZ LYS 11 -8.403 -7.690 5.565 86 HZ3 LYS 11 2HZ LYS 11 -8.446 -7.961 7.178 87 H VAL 12 H VAL 12 -6.178 -1.975 5.477 88 HA VAL 12 HA VAL 12 -8.242 -0.544 7.105 89 HB VAL 12 HB VAL 12 -8.517 1.073 5.290 90 HG11 VAL 12 1HG1 VAL 12 -5.664 1.020 6.350 91 HG12 VAL 12 2HG1 VAL 12 -6.544 2.427 5.734 92 HG13 VAL 12 3HG1 VAL 12 -7.090 1.629 7.219 93 HG21 VAL 12 3HG2 VAL 12 -7.592 -0.237 3.389 94 HG22 VAL 12 1HG2 VAL 12 -6.849 1.362 3.533 95 HG23 VAL 12 2HG2 VAL 12 -5.963 -0.072 4.078 96 H THR 13 H THR 13 -10.321 -0.267 5.807 97 HA THR 13 HA THR 13 -10.941 -2.573 4.011 98 HB THR 13 HB THR 13 -12.967 -3.072 5.217 99 HG1 THR 13 HG1 THR 13 -12.130 -1.077 7.050 100 HG21 THR 13 3HG2 THR 13 -10.935 -4.258 6.012 101 HG22 THR 13 1HG2 THR 13 -12.172 -4.055 7.267 102 HG23 THR 13 2HG2 THR 13 -10.729 -3.024 7.276 103 H ASP 14 H ASP 14 -13.269 -2.269 3.068 104 HA ASP 14 HA ASP 14 -13.661 0.235 1.813 105 HB2 ASP 14 2HB ASP 14 -14.703 -1.845 1.063 106 HB3 ASP 14 3HB ASP 14 -15.641 -1.954 2.550 107 H ALA 15 H ALA 15 -14.587 -0.768 5.073 108 HA ALA 15 HA ALA 15 -16.390 1.492 5.529 109 HB1 ALA 15 3HB ALA 15 -16.615 0.501 7.757 110 HB2 ALA 15 1HB ALA 15 -16.814 -0.736 6.502 111 HB3 ALA 15 2HB ALA 15 -15.290 -0.630 7.416 112 H SER 16 H SER 16 -12.956 1.108 5.679 113 HA SER 16 HA SER 16 -12.707 3.534 7.402 114 HB2 SER 16 2HB SER 16 -10.712 2.531 8.445 115 HB3 SER 16 3HB SER 16 -12.222 1.700 8.808 116 HG SER 16 HG SER 16 -10.567 0.227 8.298 117 H PHE 17 H PHE 17 -11.850 2.322 4.335 118 HA PHE 17 HA PHE 17 -9.246 3.293 4.024 119 HB2 PHE 17 2HB PHE 17 -10.613 1.891 2.424 120 HB3 PHE 17 3HB PHE 17 -11.424 3.355 1.901 121 HD1 PHE 17 HD2 PHE 17 -9.917 5.257 0.879 122 HD2 PHE 17 HD1 PHE 17 -8.586 1.195 1.477 123 HE1 PHE 17 HE2 PHE 17 -8.098 5.602 -0.772 124 HE2 PHE 17 HE1 PHE 17 -6.820 1.531 -0.234 125 HZ PHE 17 HZ PHE 17 -6.569 3.730 -1.352 126 H ALA 18 H ALA 18 -12.314 5.161 3.525 127 HA ALA 18 HA ALA 18 -10.907 7.535 2.750 128 HB1 ALA 18 3HB ALA 18 -13.221 7.088 2.100 129 HB2 ALA 18 1HB ALA 18 -13.742 7.198 3.802 130 HB3 ALA 18 2HB ALA 18 -13.093 8.629 2.967 131 H THR 19 H THR 19 -12.105 6.447 5.970 132 HA THR 19 HA THR 19 -11.370 8.908 7.305 133 HB THR 19 HB THR 19 -11.862 7.214 9.320 134 HG1 THR 19 HG1 THR 19 -13.348 5.660 8.666 135 HG21 THR 19 3HG2 THR 19 -14.018 8.179 7.386 136 HG22 THR 19 1HG2 THR 19 -13.285 9.146 8.685 137 HG23 THR 19 2HG2 THR 19 -14.268 7.730 9.091 138 H ASP 20 H ASP 20 -9.579 6.006 6.562 139 HA ASP 20 HA ASP 20 -7.445 6.820 8.480 140 HB2 ASP 20 2HB ASP 20 -8.222 4.460 8.406 141 HB3 ASP 20 3HB ASP 20 -7.614 4.345 6.752 142 H VAL 21 H VAL 21 -7.806 6.101 4.963 143 HA VAL 21 HA VAL 21 -5.075 6.962 4.420 144 HB VAL 21 HB VAL 21 -7.209 6.191 2.401 145 HG11 VAL 21 1HG1 VAL 21 -4.193 6.027 2.206 146 HG12 VAL 21 2HG1 VAL 21 -5.381 5.628 0.955 147 HG13 VAL 21 3HG1 VAL 21 -5.188 7.307 1.467 148 HG21 VAL 21 3HG2 VAL 21 -6.915 4.330 4.036 149 HG22 VAL 21 1HG2 VAL 21 -6.287 3.932 2.447 150 HG23 VAL 21 2HG2 VAL 21 -5.162 4.382 3.753 151 H LEU 22 H LEU 22 -8.297 8.048 3.219 152 HA LEU 22 HA LEU 22 -7.104 10.346 1.909 153 HB2 LEU 22 2HB LEU 22 -10.049 9.772 2.332 154 HB3 LEU 22 3HB LEU 22 -9.335 10.862 1.149 155 HG LEU 22 HG LEU 22 -9.038 7.832 1.195 156 HD11 LEU 22 1HD1 LEU 22 -11.282 8.621 0.537 157 HD12 LEU 22 2HD1 LEU 22 -10.420 7.880 -0.821 158 HD13 LEU 22 3HD1 LEU 22 -10.551 9.650 -0.715 159 HD21 LEU 22 3HD2 LEU 22 -8.011 8.062 -1.037 160 HD22 LEU 22 1HD2 LEU 22 -7.018 8.833 0.199 161 HD23 LEU 22 2HD2 LEU 22 -8.035 9.827 -0.871 162 H SER 23 H SER 23 -8.685 9.912 4.991 163 HA SER 23 HA SER 23 -8.945 12.733 5.612 164 HB2 SER 23 2HB SER 23 -9.094 10.285 7.356 165 HB3 SER 23 3HB SER 23 -9.429 11.940 7.901 166 HG SER 23 HG SER 23 -10.751 10.552 5.792 167 H SER 24 H SER 24 -6.155 10.779 5.457 168 HA SER 24 HA SER 24 -4.765 11.602 7.820 169 HB2 SER 24 2HB SER 24 -4.172 9.604 6.477 170 HB3 SER 24 3HB SER 24 -3.581 10.669 5.183 171 HG SER 24 HG SER 24 -1.927 9.984 6.656 172 H ASN 25 H ASN 25 -3.376 13.201 8.257 173 HA ASN 25 HA ASN 25 -3.155 15.514 6.439 174 HB2 ASN 25 2HB ASN 25 -2.348 16.706 8.368 175 HB3 ASN 25 3HB ASN 25 -3.784 15.803 8.829 176 HD21 ASN 25 1HD2 ASN 25 -0.243 15.968 9.143 177 HD22 ASN 25 2HD2 ASN 25 -0.172 14.902 10.542 178 H LYS 26 H LYS 26 -1.489 12.717 6.552 179 HA LYS 26 HA LYS 26 1.032 13.954 5.570 180 HB2 LYS 26 2HB LYS 26 2.374 12.257 6.702 181 HB3 LYS 26 3HB LYS 26 1.471 13.212 7.868 182 HG2 LYS 26 2HG LYS 26 -0.146 11.434 8.198 183 HG3 LYS 26 3HG LYS 26 0.545 10.470 6.887 184 HD2 LYS 26 2HD LYS 26 2.016 11.193 9.459 185 HD3 LYS 26 3HD LYS 26 1.135 9.689 9.163 186 HE2 LYS 26 2HE LYS 26 2.637 9.413 7.069 187 HE3 LYS 26 3HE LYS 26 3.659 10.677 7.778 188 HZ1 LYS 26 3HZ LYS 26 2.941 8.070 8.998 189 HZ2 LYS 26 1HZ LYS 26 3.831 9.222 9.780 190 HZ3 LYS 26 2HZ LYS 26 4.427 8.474 8.455 191 HA PRO 27 HA PRO 27 0.595 11.168 2.209 192 HB2 PRO 27 2HB PRO 27 3.458 10.328 2.377 193 HB3 PRO 27 3HB PRO 27 2.581 11.045 0.995 194 HG2 PRO 27 2HG PRO 27 4.318 12.551 2.448 195 HG3 PRO 27 3HG PRO 27 2.738 13.238 1.946 196 HD2 PRO 27 2HD PRO 27 3.447 12.008 4.619 197 HD3 PRO 27 3HD PRO 27 2.668 13.582 4.269 198 H VAL 28 H VAL 28 0.149 9.005 1.686 199 HA VAL 28 HA VAL 28 0.855 6.899 3.622 200 HB VAL 28 HB VAL 28 -1.021 7.790 4.698 201 HG11 VAL 28 1HG1 VAL 28 -2.063 9.124 2.945 202 HG12 VAL 28 2HG1 VAL 28 -2.567 7.651 2.089 203 HG13 VAL 28 3HG1 VAL 28 -3.235 8.044 3.687 204 HG21 VAL 28 3HG2 VAL 28 -2.584 5.941 4.741 205 HG22 VAL 28 1HG2 VAL 28 -2.010 5.350 3.172 206 HG23 VAL 28 2HG2 VAL 28 -0.936 5.320 4.587 207 H LEU 29 H LEU 29 1.197 5.067 2.775 208 HA LEU 29 HA LEU 29 0.676 4.525 -0.104 209 HB2 LEU 29 2HB LEU 29 3.020 4.604 1.057 210 HB3 LEU 29 3HB LEU 29 2.546 3.104 1.823 211 HG LEU 29 HG LEU 29 2.915 3.608 -1.161 212 HD11 LEU 29 1HD1 LEU 29 4.977 3.487 0.177 213 HD12 LEU 29 2HD1 LEU 29 4.815 2.065 -0.865 214 HD13 LEU 29 3HD1 LEU 29 4.456 1.934 0.867 215 HD21 LEU 29 3HD2 LEU 29 2.027 1.086 0.302 216 HD22 LEU 29 1HD2 LEU 29 2.763 1.065 -1.309 217 HD23 LEU 29 2HD2 LEU 29 1.238 1.901 -1.080 218 H VAL 30 H VAL 30 -0.819 2.936 -0.585 219 HA VAL 30 HA VAL 30 -1.556 0.969 1.531 220 HB VAL 30 HB VAL 30 -3.516 1.812 -0.596 221 HG11 VAL 30 1HG1 VAL 30 -5.108 0.839 1.068 222 HG12 VAL 30 2HG1 VAL 30 -3.915 -0.340 0.521 223 HG13 VAL 30 3HG1 VAL 30 -3.747 0.427 2.117 224 HG21 VAL 30 3HG2 VAL 30 -3.089 3.867 0.676 225 HG22 VAL 30 1HG2 VAL 30 -4.663 3.188 1.070 226 HG23 VAL 30 2HG2 VAL 30 -3.308 2.987 2.205 227 H ASP 31 H ASP 31 -1.109 -1.058 1.033 228 HA ASP 31 HA ASP 31 -0.579 -1.832 -1.800 229 HB2 ASP 31 2HB ASP 31 1.309 -2.113 -0.495 230 HB3 ASP 31 3HB ASP 31 0.460 -2.829 0.854 231 H PHE 32 H PHE 32 -2.089 -2.780 -2.848 232 HA PHE 32 HA PHE 32 -4.243 -4.395 -1.636 233 HB2 PHE 32 2HB PHE 32 -3.680 -3.709 -4.539 234 HB3 PHE 32 3HB PHE 32 -5.133 -4.452 -3.888 235 HD1 PHE 32 HD1 PHE 32 -6.378 -3.101 -2.020 236 HD2 PHE 32 HD2 PHE 32 -3.651 -1.342 -4.836 237 HE1 PHE 32 HE1 PHE 32 -7.350 -0.851 -1.552 238 HE2 PHE 32 HE2 PHE 32 -4.677 0.873 -4.453 239 HZ PHE 32 HZ PHE 32 -6.506 1.141 -2.785 240 H TRP 33 H TRP 33 -3.861 -6.426 -1.197 241 HA TRP 33 HA TRP 33 -1.906 -8.040 -2.752 242 HB2 TRP 33 2HB TRP 33 -0.517 -8.386 -0.904 243 HB3 TRP 33 3HB TRP 33 -0.849 -6.672 -0.839 244 HD1 TRP 33 HD1 TRP 33 -3.045 -6.104 0.913 245 HE1 TRP 33 HE1 TRP 33 -3.541 -7.080 3.239 246 HE3 TRP 33 HE3 TRP 33 0.015 -10.208 0.746 247 HZ2 TRP 33 HZ2 TRP 33 -2.654 -9.295 4.849 248 HZ3 TRP 33 HZ3 TRP 33 0.216 -11.698 2.713 249 HH2 TRP 33 HH2 TRP 33 -1.136 -11.276 4.754 250 H ALA 34 H ALA 34 -1.728 -10.327 -1.644 251 HA ALA 34 HA ALA 34 -3.992 -11.036 0.031 252 HB1 ALA 34 3HB ALA 34 -4.707 -12.971 -1.276 253 HB2 ALA 34 1HB ALA 34 -4.924 -11.504 -2.231 254 HB3 ALA 34 2HB ALA 34 -3.546 -12.576 -2.563 255 H THR 35 H THR 35 -3.573 -12.715 1.406 256 HA THR 35 HA THR 35 -0.893 -13.607 1.773 257 HB THR 35 HB THR 35 -2.680 -13.444 3.511 258 HG1 THR 35 HG1 THR 35 -1.866 -15.244 4.632 259 HG21 THR 35 3HG2 THR 35 -4.469 -14.752 2.340 260 HG22 THR 35 1HG2 THR 35 -4.107 -15.350 3.966 261 HG23 THR 35 2HG2 THR 35 -3.491 -16.224 2.549 262 H TRP 36 H TRP 36 -3.297 -14.855 -0.408 263 HA TRP 36 HA TRP 36 -1.917 -17.411 -0.817 264 HB2 TRP 36 2HB TRP 36 -3.578 -17.714 -2.634 265 HB3 TRP 36 3HB TRP 36 -4.219 -17.518 -1.029 266 HD1 TRP 36 HD1 TRP 36 -6.210 -16.053 -0.799 267 HE1 TRP 36 HE1 TRP 36 -7.495 -14.388 -2.238 268 HE3 TRP 36 HE3 TRP 36 -2.831 -15.467 -4.646 269 HZ2 TRP 36 HZ2 TRP 36 -7.138 -12.965 -4.691 270 HZ3 TRP 36 HZ3 TRP 36 -3.285 -13.773 -6.418 271 HH2 TRP 36 HH2 TRP 36 -5.465 -12.611 -6.510 272 H CYS 37 H CYS 37 -1.004 -14.330 -1.754 273 HA CYS 37 HA CYS 37 -0.209 -15.145 -4.503 274 HB2 CYS 37 2HB CYS 37 -1.738 -13.229 -4.137 275 HB3 CYS 37 3HB CYS 37 -0.455 -12.405 -3.253 276 HG CYS 37 HG CYS 37 -0.535 -11.350 -5.605 277 H GLY 38 H GLY 38 1.801 -15.715 -4.914 278 HA2 GLY 38 2HA GLY 38 4.005 -15.639 -3.184 279 HA3 GLY 38 3HA GLY 38 4.088 -15.853 -4.928 280 HA PRO 39 HA PRO 39 5.863 -11.782 -5.304 281 HB2 PRO 39 2HB PRO 39 4.297 -10.115 -6.855 282 HB3 PRO 39 3HB PRO 39 5.333 -11.433 -7.467 283 HG2 PRO 39 2HG PRO 39 2.364 -11.515 -6.903 284 HG3 PRO 39 3HG PRO 39 3.236 -12.127 -8.341 285 HD2 PRO 39 2HD PRO 39 2.495 -13.792 -6.350 286 HD3 PRO 39 3HD PRO 39 4.074 -13.996 -7.152 287 H CYS 40 H CYS 40 2.517 -11.664 -4.035 288 HA CYS 40 HA CYS 40 2.884 -9.147 -2.635 289 HB2 CYS 40 2HB CYS 40 1.063 -11.500 -2.002 290 HB3 CYS 40 3HB CYS 40 1.047 -9.934 -1.197 291 HG CYS 40 HG CYS 40 0.554 -8.465 -3.256 292 H LYS 41 H LYS 41 3.445 -12.589 -1.673 293 HA LYS 41 HA LYS 41 4.596 -11.986 0.907 294 HB2 LYS 41 2HB LYS 41 5.158 -14.323 -0.972 295 HB3 LYS 41 3HB LYS 41 5.658 -14.243 0.706 296 HG2 LYS 41 2HG LYS 41 2.747 -14.164 -0.185 297 HG3 LYS 41 3HG LYS 41 3.620 -15.633 0.241 298 HD2 LYS 41 2HD LYS 41 3.971 -14.816 2.532 299 HD3 LYS 41 3HD LYS 41 3.157 -13.281 2.131 300 HE2 LYS 41 2HE LYS 41 1.109 -14.489 1.532 301 HE3 LYS 41 3HE LYS 41 1.881 -16.039 1.848 302 HZ1 LYS 41 3HZ LYS 41 2.013 -15.494 4.177 303 HZ2 LYS 41 1HZ LYS 41 0.467 -15.219 3.698 304 HZ3 LYS 41 2HZ LYS 41 1.483 -13.964 3.941 305 H MET 42 H MET 42 6.044 -11.984 -2.322 306 HA MET 42 HA MET 42 8.755 -11.619 -1.466 307 HB2 MET 42 2HB MET 42 8.032 -12.386 -3.722 308 HB3 MET 42 3HB MET 42 7.454 -10.750 -4.071 309 HG2 MET 42 2HG MET 42 9.741 -9.870 -3.761 310 HG3 MET 42 3HG MET 42 10.320 -11.508 -3.428 311 HE1 MET 42 3HE MET 42 11.856 -10.585 -6.941 312 HE2 MET 42 1HE MET 42 11.531 -9.461 -5.602 313 HE3 MET 42 2HE MET 42 12.204 -11.073 -5.268 314 H VAL 43 H VAL 43 6.250 -9.153 -2.334 315 HA VAL 43 HA VAL 43 8.163 -6.993 -1.765 316 HB VAL 43 HB VAL 43 6.528 -6.993 -3.664 317 HG11 VAL 43 1HG1 VAL 43 4.488 -7.657 -2.423 318 HG12 VAL 43 2HG1 VAL 43 4.512 -6.108 -1.558 319 HG13 VAL 43 3HG1 VAL 43 4.286 -6.143 -3.314 320 HG21 VAL 43 3HG2 VAL 43 6.465 -4.541 -1.875 321 HG22 VAL 43 1HG2 VAL 43 7.796 -4.994 -2.957 322 HG23 VAL 43 2HG2 VAL 43 6.203 -4.595 -3.627 323 H ALA 44 H ALA 44 5.618 -8.557 0.081 324 HA ALA 44 HA ALA 44 4.973 -6.662 1.987 325 HB1 ALA 44 3HB ALA 44 4.604 -8.602 3.499 326 HB2 ALA 44 1HB ALA 44 3.944 -8.849 1.871 327 HB3 ALA 44 2HB ALA 44 5.455 -9.647 2.343 328 HA PRO 45 HA PRO 45 8.766 -7.389 4.797 329 HB2 PRO 45 2HB PRO 45 11.123 -8.357 3.757 330 HB3 PRO 45 3HB PRO 45 9.859 -9.386 4.497 331 HG2 PRO 45 2HG PRO 45 10.274 -8.784 1.548 332 HG3 PRO 45 3HG PRO 45 10.050 -10.384 2.330 333 HD2 PRO 45 2HD PRO 45 7.979 -9.123 1.186 334 HD3 PRO 45 3HD PRO 45 7.755 -9.960 2.747 335 H VAL 46 H VAL 46 9.229 -6.465 1.388 336 HA VAL 46 HA VAL 46 11.206 -4.408 1.962 337 HB VAL 46 HB VAL 46 9.461 -4.435 -0.514 338 HG11 VAL 46 1HG1 VAL 46 11.389 -3.382 -1.506 339 HG12 VAL 46 2HG1 VAL 46 11.032 -2.508 -0.005 340 HG13 VAL 46 3HG1 VAL 46 12.356 -3.679 -0.028 341 HG21 VAL 46 3HG2 VAL 46 11.210 -5.829 -1.600 342 HG22 VAL 46 1HG2 VAL 46 11.965 -6.110 -0.016 343 HG23 VAL 46 2HG2 VAL 46 10.333 -6.724 -0.369 344 H LEU 47 H LEU 47 7.664 -4.405 1.366 345 HA LEU 47 HA LEU 47 7.239 -1.620 1.928 346 HB2 LEU 47 2HB LEU 47 5.541 -4.121 1.925 347 HB3 LEU 47 3HB LEU 47 4.877 -2.638 2.595 348 HG LEU 47 HG LEU 47 5.944 -2.838 -0.243 349 HD11 LEU 47 1HD1 LEU 47 4.025 -4.310 0.077 350 HD12 LEU 47 2HD1 LEU 47 3.590 -2.904 -0.902 351 HD13 LEU 47 3HD1 LEU 47 3.115 -2.978 0.815 352 HD21 LEU 47 3HD2 LEU 47 5.920 -0.512 0.620 353 HD22 LEU 47 1HD2 LEU 47 4.250 -0.735 1.183 354 HD23 LEU 47 2HD2 LEU 47 4.622 -0.744 -0.548 355 H GLU 48 H GLU 48 7.443 -4.441 4.126 356 HA GLU 48 HA GLU 48 6.667 -3.004 6.482 357 HB2 GLU 48 2HB GLU 48 6.720 -5.507 6.156 358 HB3 GLU 48 3HB GLU 48 8.487 -5.437 6.292 359 HG2 GLU 48 2HG GLU 48 8.234 -4.448 8.566 360 HG3 GLU 48 3HG GLU 48 6.475 -4.478 8.355 361 H GLU 49 H GLU 49 9.915 -3.542 5.006 362 HA GLU 49 HA GLU 49 11.369 -1.987 6.957 363 HB2 GLU 49 2HB GLU 49 11.898 -2.653 4.037 364 HB3 GLU 49 3HB GLU 49 12.942 -1.601 4.998 365 HG2 GLU 49 2HG GLU 49 13.315 -3.390 6.635 366 HG3 GLU 49 3HG GLU 49 12.267 -4.473 5.721 367 H ILE 50 H ILE 50 9.773 -0.997 3.851 368 HA ILE 50 HA ILE 50 10.413 1.789 4.109 369 HB ILE 50 HB ILE 50 8.061 0.371 2.799 370 HG12 ILE 50 2HG1 ILE 50 10.314 -0.108 1.813 371 HG13 ILE 50 3HG1 ILE 50 9.168 0.625 0.711 372 HG21 ILE 50 1HG2 ILE 50 8.806 3.307 2.540 373 HG22 ILE 50 2HG2 ILE 50 7.638 2.436 1.519 374 HG23 ILE 50 3HG2 ILE 50 7.318 2.649 3.230 375 HD11 ILE 50 3HD1 ILE 50 11.460 1.490 0.445 376 HD12 ILE 50 1HD1 ILE 50 10.334 2.779 0.884 377 HD13 ILE 50 2HD1 ILE 50 11.442 2.105 2.108 378 H ALA 51 H ALA 51 7.607 -0.058 5.436 379 HA ALA 51 HA ALA 51 6.271 2.113 6.646 380 HB1 ALA 51 3HB ALA 51 5.165 0.436 7.972 381 HB2 ALA 51 1HB ALA 51 5.503 -0.321 6.399 382 HB3 ALA 51 2HB ALA 51 6.507 -0.705 7.799 383 H THR 52 H THR 52 8.860 0.039 7.967 384 HA THR 52 HA THR 52 8.867 1.335 10.560 385 HB THR 52 HB THR 52 10.921 -0.553 9.349 386 HG1 THR 52 HG1 THR 52 9.022 -1.592 9.296 387 HG21 THR 52 3HG2 THR 52 10.180 0.076 12.245 388 HG22 THR 52 1HG2 THR 52 11.723 0.466 11.447 389 HG23 THR 52 2HG2 THR 52 11.272 -1.223 11.718 390 H GLU 53 H GLU 53 10.924 1.658 7.666 391 HA GLU 53 HA GLU 53 12.764 3.508 9.046 392 HB2 GLU 53 2HB GLU 53 12.829 2.293 6.259 393 HB3 GLU 53 3HB GLU 53 14.092 3.269 6.989 394 HG2 GLU 53 2HG GLU 53 14.118 1.544 8.916 395 HG3 GLU 53 3HG GLU 53 13.173 0.502 7.867 396 H ARG 54 H ARG 54 10.130 3.816 6.756 397 HA ARG 54 HA ARG 54 10.811 6.701 6.331 398 HB2 ARG 54 2HB ARG 54 9.050 5.027 4.537 399 HB3 ARG 54 3HB ARG 54 9.627 6.648 4.235 400 HG2 ARG 54 2HG ARG 54 11.505 4.243 4.401 401 HG3 ARG 54 3HG ARG 54 10.708 4.755 2.929 402 HD2 ARG 54 2HD ARG 54 12.995 5.567 3.001 403 HD3 ARG 54 3HD ARG 54 11.833 6.880 2.914 404 HE ARG 54 HE ARG 54 13.222 6.025 5.449 405 HH11 ARG 54 1HH1 ARG 54 12.009 8.687 3.530 406 HH12 ARG 54 2HH1 ARG 54 11.992 9.764 4.916 407 HH21 ARG 54 1HH2 ARG 54 13.201 7.426 7.086 408 HH22 ARG 54 2HH2 ARG 54 12.779 9.101 6.826 409 H ALA 55 H ALA 55 9.311 5.364 8.579 410 HA ALA 55 HA ALA 55 6.654 6.205 8.679 411 HB1 ALA 55 3HB ALA 55 7.799 4.849 10.392 412 HB2 ALA 55 1HB ALA 55 8.765 6.260 10.881 413 HB3 ALA 55 2HB ALA 55 7.004 6.253 11.121 414 H THR 56 H THR 56 9.540 8.244 8.836 415 HA THR 56 HA THR 56 8.373 10.677 9.820 416 HB THR 56 HB THR 56 10.411 11.707 8.720 417 HG1 THR 56 HG1 THR 56 10.866 10.400 7.046 418 HG21 THR 56 3HG2 THR 56 12.046 10.647 10.185 419 HG22 THR 56 1HG2 THR 56 10.986 9.241 10.422 420 HG23 THR 56 2HG2 THR 56 10.505 10.838 11.040 421 H ASP 57 H ASP 57 8.261 9.165 6.684 422 HA ASP 57 HA ASP 57 7.275 11.677 5.366 423 HB2 ASP 57 2HB ASP 57 9.065 9.428 4.370 424 HB3 ASP 57 3HB ASP 57 8.364 10.657 3.330 425 H LEU 58 H LEU 58 6.685 8.273 5.877 426 HA LEU 58 HA LEU 58 4.182 8.350 4.258 427 HB2 LEU 58 2HB LEU 58 6.183 6.062 4.511 428 HB3 LEU 58 3HB LEU 58 4.639 5.979 3.668 429 HG LEU 58 HG LEU 58 6.963 7.739 2.815 430 HD11 LEU 58 1HD1 LEU 58 7.205 6.053 0.995 431 HD12 LEU 58 2HD1 LEU 58 5.966 5.049 1.778 432 HD13 LEU 58 3HD1 LEU 58 7.510 5.365 2.598 433 HD21 LEU 58 3HD2 LEU 58 4.798 8.596 2.033 434 HD22 LEU 58 1HD2 LEU 58 4.344 6.978 1.453 435 HD23 LEU 58 2HD2 LEU 58 5.674 7.874 0.685 436 H THR 59 H THR 59 2.490 7.137 5.093 437 HA THR 59 HA THR 59 3.051 5.312 7.409 438 HB THR 59 HB THR 59 0.398 6.580 6.634 439 HG1 THR 59 HG1 THR 59 0.555 7.276 8.811 440 HG21 THR 59 3HG2 THR 59 -0.516 5.343 8.601 441 HG22 THR 59 1HG2 THR 59 1.013 4.445 8.734 442 HG23 THR 59 2HG2 THR 59 -0.034 4.249 7.306 443 H VAL 60 H VAL 60 2.683 3.112 6.957 444 HA VAL 60 HA VAL 60 1.914 2.502 4.122 445 HB VAL 60 HB VAL 60 3.816 0.993 5.904 446 HG11 VAL 60 1HG1 VAL 60 4.263 -0.364 3.854 447 HG12 VAL 60 2HG1 VAL 60 2.613 -0.577 4.433 448 HG13 VAL 60 3HG1 VAL 60 2.926 0.469 3.029 449 HG21 VAL 60 3HG2 VAL 60 4.281 2.623 3.365 450 HG22 VAL 60 1HG2 VAL 60 4.833 3.051 4.996 451 HG23 VAL 60 2HG2 VAL 60 5.493 1.623 4.188 452 H ALA 61 H ALA 61 0.131 1.500 3.837 453 HA ALA 61 HA ALA 61 -1.111 -0.159 5.962 454 HB1 ALA 61 3HB ALA 61 -2.166 2.071 5.715 455 HB2 ALA 61 1HB ALA 61 -2.430 1.750 3.991 456 HB3 ALA 61 2HB ALA 61 -3.269 0.774 5.215 457 H LYS 62 H LYS 62 -2.686 -1.698 5.180 458 HA LYS 62 HA LYS 62 -2.268 -2.764 2.414 459 HB2 LYS 62 2HB LYS 62 -1.967 -4.072 5.103 460 HB3 LYS 62 3HB LYS 62 -2.776 -5.007 3.851 461 HG2 LYS 62 2HG LYS 62 -0.901 -4.738 2.324 462 HG3 LYS 62 3HG LYS 62 -0.030 -3.729 3.494 463 HD2 LYS 62 2HD LYS 62 0.329 -5.543 4.981 464 HD3 LYS 62 3HD LYS 62 -0.965 -6.510 4.266 465 HE2 LYS 62 2HE LYS 62 0.372 -6.617 2.123 466 HE3 LYS 62 3HE LYS 62 1.715 -5.851 2.979 467 HZ1 LYS 62 3HZ LYS 62 0.444 -8.441 3.732 468 HZ2 LYS 62 1HZ LYS 62 1.694 -7.749 4.534 469 HZ3 LYS 62 2HZ LYS 62 1.890 -8.286 2.999 470 H LEU 63 H LEU 63 -3.933 -3.798 1.417 471 HA LEU 63 HA LEU 63 -6.443 -4.279 2.929 472 HB2 LEU 63 2HB LEU 63 -6.753 -2.179 1.667 473 HB3 LEU 63 3HB LEU 63 -6.343 -2.987 0.177 474 HG LEU 63 HG LEU 63 -8.494 -4.415 1.591 475 HD11 LEU 63 1HD1 LEU 63 -9.031 -1.522 0.900 476 HD12 LEU 63 2HD1 LEU 63 -8.944 -2.205 2.520 477 HD13 LEU 63 3HD1 LEU 63 -10.235 -2.733 1.447 478 HD21 LEU 63 3HD2 LEU 63 -8.501 -3.060 -1.124 479 HD22 LEU 63 1HD2 LEU 63 -9.635 -4.291 -0.529 480 HD23 LEU 63 2HD2 LEU 63 -7.944 -4.719 -0.798 481 H ASP 64 H ASP 64 -6.636 -6.463 2.920 482 HA ASP 64 HA ASP 64 -5.324 -8.050 0.819 483 HB2 ASP 64 2HB ASP 64 -5.280 -8.757 3.239 484 HB3 ASP 64 3HB ASP 64 -6.981 -9.051 3.134 485 H VAL 65 H VAL 65 -6.315 -8.522 -1.034 486 HA VAL 65 HA VAL 65 -8.962 -7.585 -1.557 487 HB VAL 65 HB VAL 65 -8.665 -8.348 -3.806 488 HG11 VAL 65 1HG1 VAL 65 -5.963 -7.336 -2.831 489 HG12 VAL 65 2HG1 VAL 65 -6.690 -7.121 -4.433 490 HG13 VAL 65 3HG1 VAL 65 -7.393 -6.314 -3.020 491 HG21 VAL 65 3HG2 VAL 65 -7.692 -10.578 -3.473 492 HG22 VAL 65 1HG2 VAL 65 -6.720 -9.607 -4.586 493 HG23 VAL 65 2HG2 VAL 65 -6.181 -9.833 -2.913 494 H ASP 66 H ASP 66 -7.970 -10.662 -0.332 495 HA ASP 66 HA ASP 66 -10.467 -12.035 -1.118 496 HB2 ASP 66 2HB ASP 66 -8.255 -13.205 -0.874 497 HB3 ASP 66 3HB ASP 66 -8.322 -12.881 0.859 498 H THR 67 H THR 67 -9.272 -10.050 1.521 499 HA THR 67 HA THR 67 -11.521 -10.818 3.313 500 HB THR 67 HB THR 67 -10.501 -9.589 5.037 501 HG1 THR 67 HG1 THR 67 -8.949 -8.408 3.033 502 HG21 THR 67 3HG2 THR 67 -9.442 -11.746 4.618 503 HG22 THR 67 1HG2 THR 67 -8.291 -10.564 5.263 504 HG23 THR 67 2HG2 THR 67 -8.262 -10.982 3.538 505 H ASN 68 H ASN 68 -10.558 -8.151 1.226 506 HA ASN 68 HA ASN 68 -13.319 -7.107 1.479 507 HB2 ASN 68 2HB ASN 68 -11.774 -5.775 2.969 508 HB3 ASN 68 3HB ASN 68 -10.916 -5.250 1.518 509 HD21 ASN 68 1HD2 ASN 68 -14.018 -5.165 3.255 510 HD22 ASN 68 2HD2 ASN 68 -14.720 -3.892 2.274 511 HA PRO 69 HA PRO 69 -12.145 -7.610 -2.955 512 HB2 PRO 69 2HB PRO 69 -14.554 -8.515 -3.887 513 HB3 PRO 69 3HB PRO 69 -13.347 -9.570 -3.090 514 HG2 PRO 69 2HG PRO 69 -15.767 -8.236 -1.832 515 HG3 PRO 69 3HG PRO 69 -15.268 -9.954 -1.715 516 HD2 PRO 69 2HD PRO 69 -14.661 -8.159 0.222 517 HD3 PRO 69 3HD PRO 69 -13.492 -9.432 -0.241 518 H GLU 70 H GLU 70 -14.620 -5.749 -1.304 519 HA GLU 70 HA GLU 70 -15.606 -4.288 -3.573 520 HB2 GLU 70 2HB GLU 70 -15.542 -3.478 -0.636 521 HB3 GLU 70 3HB GLU 70 -16.531 -2.745 -1.899 522 HG2 GLU 70 2HG GLU 70 -16.755 -5.569 -0.778 523 HG3 GLU 70 3HG GLU 70 -17.902 -4.248 -0.584 524 H THR 71 H THR 71 -13.037 -3.417 -1.173 525 HA THR 71 HA THR 71 -12.335 -1.009 -2.625 526 HB THR 71 HB THR 71 -10.580 -2.279 -0.646 527 HG1 THR 71 HG1 THR 71 -12.525 -2.063 0.339 528 HG21 THR 71 3HG2 THR 71 -11.092 0.585 -1.574 529 HG22 THR 71 1HG2 THR 71 -9.610 -0.356 -1.849 530 HG23 THR 71 2HG2 THR 71 -10.052 0.156 -0.213 531 H ALA 72 H ALA 72 -11.231 -4.354 -2.798 532 HA ALA 72 HA ALA 72 -9.020 -3.974 -4.551 533 HB1 ALA 72 3HB ALA 72 -9.697 -6.092 -3.352 534 HB2 ALA 72 1HB ALA 72 -10.982 -6.294 -4.558 535 HB3 ALA 72 2HB ALA 72 -9.289 -6.297 -5.073 536 H ARG 73 H ARG 73 -12.512 -4.293 -5.255 537 HA ARG 73 HA ARG 73 -12.142 -4.018 -8.104 538 HB2 ARG 73 2HB ARG 73 -14.066 -5.141 -6.794 539 HB3 ARG 73 3HB ARG 73 -14.704 -3.515 -6.526 540 HG2 ARG 73 2HG ARG 73 -14.666 -3.267 -9.110 541 HG3 ARG 73 3HG ARG 73 -14.325 -5.000 -9.159 542 HD2 ARG 73 2HD ARG 73 -16.803 -3.581 -8.124 543 HD3 ARG 73 3HD ARG 73 -16.687 -4.701 -9.471 544 HE ARG 73 HE ARG 73 -16.370 -6.548 -7.923 545 HH11 ARG 73 1HH1 ARG 73 -17.479 -3.611 -6.342 546 HH12 ARG 73 2HH1 ARG 73 -17.962 -4.472 -4.896 547 HH21 ARG 73 1HH2 ARG 73 -16.973 -7.550 -6.009 548 HH22 ARG 73 2HH2 ARG 73 -17.575 -6.576 -4.681 549 H ASN 74 H ASN 74 -13.007 -1.729 -5.534 550 HA ASN 74 HA ASN 74 -14.027 0.376 -6.939 551 HB2 ASN 74 2HB ASN 74 -13.928 0.168 -4.474 552 HB3 ASN 74 3HB ASN 74 -12.196 0.520 -4.500 553 HD21 ASN 74 1HD2 ASN 74 -11.546 2.726 -4.560 554 HD22 ASN 74 2HD2 ASN 74 -12.720 4.019 -4.676 555 H PHE 75 H PHE 75 -10.516 -0.169 -6.511 556 HA PHE 75 HA PHE 75 -9.932 2.260 -8.150 557 HB2 PHE 75 2HB PHE 75 -8.133 0.601 -6.369 558 HB3 PHE 75 3HB PHE 75 -7.644 2.030 -7.264 559 HD1 PHE 75 HD1 PHE 75 -8.923 4.248 -6.791 560 HD2 PHE 75 HD2 PHE 75 -8.953 0.835 -4.150 561 HE1 PHE 75 HE1 PHE 75 -9.568 5.719 -4.896 562 HE2 PHE 75 HE2 PHE 75 -9.576 2.323 -2.253 563 HZ PHE 75 HZ PHE 75 -9.896 4.753 -2.627 564 H GLN 76 H GLN 76 -10.696 -0.700 -9.020 565 HA GLN 76 HA GLN 76 -10.014 -2.377 -10.338 566 HB2 GLN 76 2HB GLN 76 -10.422 -0.554 -11.999 567 HB3 GLN 76 3HB GLN 76 -8.676 -0.253 -12.044 568 HG2 GLN 76 2HG GLN 76 -8.311 -2.617 -12.777 569 HG3 GLN 76 3HG GLN 76 -10.045 -2.907 -12.696 570 HE21 GLN 76 1HE2 GLN 76 -9.155 -3.563 -15.065 571 HE22 GLN 76 2HE2 GLN 76 -9.416 -2.296 -16.258 572 H VAL 77 H VAL 77 -8.696 -2.693 -8.251 573 HA VAL 77 HA VAL 77 -5.837 -3.187 -8.923 574 HB VAL 77 HB VAL 77 -5.319 -2.730 -6.586 575 HG11 VAL 77 1HG1 VAL 77 -5.015 -1.003 -8.311 576 HG12 VAL 77 2HG1 VAL 77 -6.616 -0.357 -7.937 577 HG13 VAL 77 3HG1 VAL 77 -5.337 -0.311 -6.718 578 HG21 VAL 77 3HG2 VAL 77 -8.205 -1.765 -6.377 579 HG22 VAL 77 1HG2 VAL 77 -7.393 -3.044 -5.438 580 HG23 VAL 77 2HG2 VAL 77 -6.948 -1.357 -5.223 581 H VAL 78 H VAL 78 -8.186 -4.881 -9.234 582 HA VAL 78 HA VAL 78 -8.107 -6.997 -7.282 583 HB VAL 78 HB VAL 78 -9.313 -8.327 -8.958 584 HG11 VAL 78 1HG1 VAL 78 -11.342 -7.005 -8.992 585 HG12 VAL 78 2HG1 VAL 78 -10.509 -6.757 -7.450 586 HG13 VAL 78 3HG1 VAL 78 -10.430 -5.510 -8.716 587 HG21 VAL 78 3HG2 VAL 78 -9.071 -5.904 -10.805 588 HG22 VAL 78 1HG2 VAL 78 -8.301 -7.488 -11.058 589 HG23 VAL 78 2HG2 VAL 78 -10.060 -7.349 -11.074 590 H SER 79 H SER 79 -6.115 -6.248 -10.060 591 HA SER 79 HA SER 79 -4.552 -8.748 -9.967 592 HB2 SER 79 2HB SER 79 -4.014 -6.103 -11.370 593 HB3 SER 79 3HB SER 79 -3.064 -7.592 -11.543 594 HG SER 79 HG SER 79 -4.621 -7.357 -13.223 595 H ILE 80 H ILE 80 -2.641 -9.021 -8.864 596 HA ILE 80 HA ILE 80 -1.713 -6.838 -7.090 597 HB ILE 80 HB ILE 80 -1.859 -8.466 -5.165 598 HG12 ILE 80 2HG1 ILE 80 -3.769 -10.100 -6.842 599 HG13 ILE 80 3HG1 ILE 80 -2.082 -10.541 -6.547 600 HG21 ILE 80 1HG2 ILE 80 -3.535 -6.594 -5.657 601 HG22 ILE 80 2HG2 ILE 80 -4.599 -7.840 -6.324 602 HG23 ILE 80 3HG2 ILE 80 -4.117 -7.900 -4.620 603 HD11 ILE 80 3HD1 ILE 80 -2.523 -10.369 -4.069 604 HD12 ILE 80 1HD1 ILE 80 -4.254 -10.205 -4.448 605 HD13 ILE 80 2HD1 ILE 80 -3.362 -11.667 -4.887 606 HA PRO 81 HA PRO 81 -0.297 -6.912 -5.015 607 HB2 PRO 81 2HB PRO 81 2.171 -5.782 -4.691 608 HB3 PRO 81 3HB PRO 81 1.746 -7.376 -4.015 609 HG2 PRO 81 2HG PRO 81 3.196 -6.776 -6.604 610 HG3 PRO 81 3HG PRO 81 3.653 -7.948 -5.332 611 HD2 PRO 81 2HD PRO 81 2.324 -8.733 -7.572 612 HD3 PRO 81 3HD PRO 81 1.940 -9.451 -5.978 613 H THR 82 H THR 82 -0.940 -4.818 -5.133 614 HA THR 82 HA THR 82 0.212 -3.019 -7.205 615 HB THR 82 HB THR 82 -2.772 -3.418 -6.795 616 HG1 THR 82 HG1 THR 82 -2.462 -4.661 -8.432 617 HG21 THR 82 3HG2 THR 82 -2.399 -1.028 -7.118 618 HG22 THR 82 1HG2 THR 82 -2.933 -1.721 -8.659 619 HG23 THR 82 2HG2 THR 82 -1.225 -1.344 -8.417 620 H LEU 83 H LEU 83 0.778 -1.147 -6.397 621 HA LEU 83 HA LEU 83 -0.018 -0.423 -3.608 622 HB2 LEU 83 2HB LEU 83 2.477 0.194 -5.222 623 HB3 LEU 83 3HB LEU 83 2.105 0.895 -3.666 624 HG LEU 83 HG LEU 83 2.297 -1.279 -2.557 625 HD11 LEU 83 1HD1 LEU 83 3.026 -2.370 -5.315 626 HD12 LEU 83 2HD1 LEU 83 1.741 -2.947 -4.220 627 HD13 LEU 83 3HD1 LEU 83 3.420 -3.185 -3.782 628 HD21 LEU 83 3HD2 LEU 83 4.727 -1.502 -2.817 629 HD22 LEU 83 1HD2 LEU 83 4.280 0.210 -2.896 630 HD23 LEU 83 2HD2 LEU 83 4.664 -0.679 -4.383 631 H ILE 84 H ILE 84 -0.982 1.499 -3.280 632 HA ILE 84 HA ILE 84 -0.826 3.625 -5.372 633 HB ILE 84 HB ILE 84 -3.119 2.671 -5.296 634 HG12 ILE 84 2HG1 ILE 84 -4.393 4.779 -4.863 635 HG13 ILE 84 3HG1 ILE 84 -2.926 5.526 -4.240 636 HG21 ILE 84 1HG2 ILE 84 -3.179 3.634 -2.405 637 HG22 ILE 84 2HG2 ILE 84 -4.558 3.010 -3.324 638 HG23 ILE 84 3HG2 ILE 84 -3.195 1.951 -2.944 639 HD11 ILE 84 3HD1 ILE 84 -3.401 6.136 -6.596 640 HD12 ILE 84 1HD1 ILE 84 -1.866 5.269 -6.473 641 HD13 ILE 84 2HD1 ILE 84 -3.312 4.426 -7.066 642 H LEU 85 H LEU 85 -0.125 5.569 -4.655 643 HA LEU 85 HA LEU 85 0.170 5.974 -1.704 644 HB2 LEU 85 2HB LEU 85 2.246 5.268 -2.592 645 HB3 LEU 85 3HB LEU 85 2.145 6.393 -3.925 646 HG LEU 85 HG LEU 85 2.644 8.256 -2.570 647 HD11 LEU 85 1HD1 LEU 85 1.382 7.837 -0.511 648 HD12 LEU 85 2HD1 LEU 85 3.056 8.181 -0.156 649 HD13 LEU 85 3HD1 LEU 85 2.471 6.500 -0.104 650 HD21 LEU 85 3HD2 LEU 85 4.334 5.926 -1.591 651 HD22 LEU 85 1HD2 LEU 85 4.842 7.613 -1.653 652 HD23 LEU 85 2HD2 LEU 85 4.540 6.731 -3.163 653 H PHE 86 H PHE 86 -0.741 7.605 -0.921 654 HA PHE 86 HA PHE 86 -1.702 9.856 -2.610 655 HB2 PHE 86 2HB PHE 86 -2.609 8.910 0.131 656 HB3 PHE 86 3HB PHE 86 -3.300 10.244 -0.760 657 HD1 PHE 86 HD2 PHE 86 -3.002 6.553 -0.580 658 HD2 PHE 86 HD1 PHE 86 -4.923 9.878 -2.535 659 HE1 PHE 86 HE2 PHE 86 -4.682 5.022 -1.560 660 HE2 PHE 86 HE1 PHE 86 -6.555 8.329 -3.575 661 HZ PHE 86 HZ PHE 86 -6.440 5.892 -3.087 662 H LYS 87 H LYS 87 -1.186 11.945 -2.051 663 HA LYS 87 HA LYS 87 0.497 12.451 0.376 664 HB2 LYS 87 2HB LYS 87 1.696 12.752 -1.807 665 HB3 LYS 87 3HB LYS 87 0.538 14.011 -2.229 666 HG2 LYS 87 2HG LYS 87 1.731 15.544 -1.098 667 HG3 LYS 87 3HG LYS 87 1.565 14.630 0.389 668 HD2 LYS 87 2HD LYS 87 3.884 14.974 0.035 669 HD3 LYS 87 3HD LYS 87 3.585 13.259 -0.274 670 HE2 LYS 87 2HE LYS 87 3.706 13.602 -2.682 671 HE3 LYS 87 3HE LYS 87 3.746 15.357 -2.472 672 HZ1 LYS 87 3HZ LYS 87 5.899 15.118 -1.353 673 HZ2 LYS 87 1HZ LYS 87 5.972 14.502 -2.856 674 HZ3 LYS 87 2HZ LYS 87 5.905 13.499 -1.572 675 H ASP 88 H ASP 88 -0.624 13.514 1.880 676 HA ASP 88 HA ASP 88 -2.400 14.416 2.956 677 HB2 ASP 88 2HB ASP 88 -1.174 16.390 2.047 678 HB3 ASP 88 3HB ASP 88 -2.321 16.458 0.713 679 H GLY 89 H GLY 89 -3.216 12.235 1.486 680 HA2 GLY 89 2HA GLY 89 -5.105 11.114 0.903 681 HA3 GLY 89 3HA GLY 89 -6.067 12.526 1.309 682 H GLN 90 H GLN 90 -3.750 13.287 -1.144 683 HA GLN 90 HA GLN 90 -5.714 12.712 -3.328 684 HB2 GLN 90 2HB GLN 90 -3.526 14.815 -3.177 685 HB3 GLN 90 3HB GLN 90 -4.531 14.504 -4.589 686 HG2 GLN 90 2HG GLN 90 -5.557 15.441 -1.868 687 HG3 GLN 90 3HG GLN 90 -5.283 16.469 -3.264 688 HE21 GLN 90 1HE2 GLN 90 -7.800 16.421 -2.048 689 HE22 GLN 90 2HE2 GLN 90 -8.924 15.650 -3.160 690 HA PRO 91 HA PRO 91 -2.788 9.631 -4.487 691 HB2 PRO 91 2HB PRO 91 -3.510 9.024 -7.059 692 HB3 PRO 91 3HB PRO 91 -4.476 8.583 -5.619 693 HG2 PRO 91 2HG PRO 91 -4.843 10.981 -7.444 694 HG3 PRO 91 3HG PRO 91 -6.089 9.827 -6.868 695 HD2 PRO 91 2HD PRO 91 -5.700 12.233 -5.659 696 HD3 PRO 91 3HD PRO 91 -6.092 10.773 -4.700 697 H VAL 92 H VAL 92 -0.744 9.527 -5.217 698 HA VAL 92 HA VAL 92 0.235 11.529 -7.225 699 HB VAL 92 HB VAL 92 2.320 11.719 -5.903 700 HG11 VAL 92 1HG1 VAL 92 -0.151 12.665 -4.414 701 HG12 VAL 92 2HG1 VAL 92 1.481 13.370 -4.369 702 HG13 VAL 92 3HG1 VAL 92 0.532 13.435 -5.860 703 HG21 VAL 92 3HG2 VAL 92 0.772 10.528 -3.576 704 HG22 VAL 92 1HG2 VAL 92 2.069 9.688 -4.455 705 HG23 VAL 92 2HG2 VAL 92 2.420 11.174 -3.565 706 H LYS 93 H LYS 93 0.566 8.192 -6.044 707 HA LYS 93 HA LYS 93 2.115 7.567 -8.488 708 HB2 LYS 93 2HB LYS 93 3.762 8.280 -6.708 709 HB3 LYS 93 3HB LYS 93 3.180 6.982 -5.690 710 HG2 LYS 93 2HG LYS 93 5.191 6.236 -6.630 711 HG3 LYS 93 3HG LYS 93 3.935 5.336 -7.479 712 HD2 LYS 93 2HD LYS 93 4.142 6.888 -9.425 713 HD3 LYS 93 3HD LYS 93 5.320 7.860 -8.510 714 HE2 LYS 93 2HE LYS 93 6.725 5.773 -8.277 715 HE3 LYS 93 3HE LYS 93 5.629 4.958 -9.398 716 HZ1 LYS 93 3HZ LYS 93 6.256 6.601 -11.078 717 HZ2 LYS 93 1HZ LYS 93 7.599 5.871 -10.465 718 HZ3 LYS 93 2HZ LYS 93 7.201 7.413 -10.003 719 H ARG 94 H ARG 94 1.789 5.551 -9.220 720 HA ARG 94 HA ARG 94 0.534 3.467 -7.510 721 HB2 ARG 94 2HB ARG 94 -1.234 4.469 -8.871 722 HB3 ARG 94 3HB ARG 94 -0.304 4.184 -10.345 723 HG2 ARG 94 2HG ARG 94 -0.505 1.764 -10.069 724 HG3 ARG 94 3HG ARG 94 -1.303 1.966 -8.496 725 HD2 ARG 94 2HD ARG 94 -3.224 3.006 -9.512 726 HD3 ARG 94 3HD ARG 94 -2.422 3.101 -11.088 727 HE ARG 94 HE ARG 94 -2.346 0.510 -10.909 728 HH11 ARG 94 1HH2 ARG 94 -5.101 2.396 -9.825 729 HH12 ARG 94 2HH2 ARG 94 -6.221 1.090 -10.106 730 HH21 ARG 94 1HH1 ARG 94 -3.813 -1.067 -11.318 731 HH22 ARG 94 2HH1 ARG 94 -5.494 -0.833 -10.931 732 H ILE 95 H ILE 95 1.289 1.429 -7.768 733 HA ILE 95 HA ILE 95 3.340 0.817 -9.851 734 HB ILE 95 HB ILE 95 3.759 0.028 -6.954 735 HG12 ILE 95 2HG1 ILE 95 5.116 2.434 -8.231 736 HG13 ILE 95 3HG1 ILE 95 3.792 2.565 -7.078 737 HG21 ILE 95 1HG2 ILE 95 5.664 0.208 -9.327 738 HG22 ILE 95 2HG2 ILE 95 6.075 -0.387 -7.705 739 HG23 ILE 95 3HG2 ILE 95 4.941 -1.285 -8.685 740 HD11 ILE 95 3HD1 ILE 95 6.472 1.325 -6.396 741 HD12 ILE 95 1HD1 ILE 95 5.886 2.931 -5.950 742 HD13 ILE 95 2HD1 ILE 95 5.068 1.492 -5.321 743 H VAL 96 H VAL 96 3.289 -1.403 -10.507 744 HA VAL 96 HA VAL 96 1.717 -3.302 -8.877 745 HB VAL 96 HB VAL 96 0.050 -2.728 -10.407 746 HG11 VAL 96 1HG1 VAL 96 0.289 -2.866 -12.872 747 HG12 VAL 96 2HG1 VAL 96 1.339 -1.624 -12.190 748 HG13 VAL 96 3HG1 VAL 96 2.026 -3.186 -12.687 749 HG21 VAL 96 3HG2 VAL 96 0.264 -5.157 -10.014 750 HG22 VAL 96 1HG2 VAL 96 -0.459 -4.766 -11.572 751 HG23 VAL 96 2HG2 VAL 96 1.227 -5.305 -11.504 752 H GLY 97 H GLY 97 2.404 -5.356 -8.860 753 HA2 GLY 97 2HA GLY 97 3.829 -7.183 -9.285 754 HA3 GLY 97 3HA GLY 97 4.806 -6.219 -10.387 755 H ALA 98 H ALA 98 5.871 -7.894 -8.374 756 HA ALA 98 HA ALA 98 6.509 -6.385 -5.983 757 HB1 ALA 98 3HB ALA 98 7.627 -9.014 -7.041 758 HB2 ALA 98 1HB ALA 98 7.837 -8.371 -5.399 759 HB3 ALA 98 2HB ALA 98 6.222 -8.823 -5.971 760 H LYS 99 H LYS 99 8.341 -5.362 -5.391 761 HA LYS 99 HA LYS 99 10.731 -5.310 -7.164 762 HB2 LYS 99 2HB LYS 99 9.366 -2.846 -5.984 763 HB3 LYS 99 3HB LYS 99 10.957 -2.865 -6.744 764 HG2 LYS 99 2HG LYS 99 9.823 -3.835 -8.825 765 HG3 LYS 99 3HG LYS 99 8.275 -3.440 -8.060 766 HD2 LYS 99 2HD LYS 99 8.936 -1.028 -8.004 767 HD3 LYS 99 3HD LYS 99 10.490 -1.463 -8.754 768 HE2 LYS 99 2HE LYS 99 9.022 -2.627 -10.581 769 HE3 LYS 99 3HE LYS 99 7.696 -1.655 -9.942 770 HZ1 LYS 99 3HZ LYS 99 10.256 -0.577 -11.025 771 HZ2 LYS 99 1HZ LYS 99 9.026 0.361 -10.495 772 HZ3 LYS 99 2HZ LYS 99 8.831 -0.571 -11.809 773 H GLY 100 H GLY 100 12.717 -5.025 -6.079 774 HA2 GLY 100 2HA GLY 100 12.783 -5.816 -3.238 775 HA3 GLY 100 3HA GLY 100 14.152 -5.658 -4.341 776 H LYS 101 H LYS 101 14.316 -4.552 -1.833 777 HA LYS 101 HA LYS 101 13.299 -2.063 -1.264 778 HB2 LYS 101 2HB LYS 101 14.813 -3.574 0.147 779 HB3 LYS 101 3HB LYS 101 16.181 -2.861 -0.673 780 HG2 LYS 101 2HG LYS 101 15.912 -1.812 1.443 781 HG3 LYS 101 3HG LYS 101 15.583 -0.617 0.193 782 HD2 LYS 101 2HD LYS 101 13.133 -0.885 0.550 783 HD3 LYS 101 3HD LYS 101 13.445 -2.137 1.760 784 HE2 LYS 101 2HE LYS 101 14.131 0.834 1.930 785 HE3 LYS 101 3HE LYS 101 12.907 -0.057 2.831 786 HZ1 LYS 101 3HZ LYS 101 15.848 -0.363 3.100 787 HZ2 LYS 101 1HZ LYS 101 14.811 -1.442 3.743 788 HZ3 LYS 101 2HZ LYS 101 14.821 0.111 4.273 789 H ALA 102 H ALA 102 15.997 -2.550 -3.380 790 HA ALA 102 HA ALA 102 16.730 0.292 -3.484 791 HB1 ALA 102 3HB ALA 102 17.461 -2.001 -5.366 792 HB2 ALA 102 1HB ALA 102 18.219 -0.395 -5.331 793 HB3 ALA 102 2HB ALA 102 18.381 -1.478 -3.937 794 H ALA 103 H ALA 103 14.928 -1.880 -5.674 795 HA ALA 103 HA ALA 103 14.220 0.165 -7.581 796 HB1 ALA 103 3HB ALA 103 12.797 -1.628 -8.510 797 HB2 ALA 103 1HB ALA 103 14.456 -2.164 -8.209 798 HB3 ALA 103 2HB ALA 103 13.167 -2.642 -7.090 799 H LEU 104 H LEU 104 12.424 -1.381 -4.833 800 HA LEU 104 HA LEU 104 10.065 0.164 -5.240 801 HB2 LEU 104 2HB LEU 104 10.184 -1.975 -3.928 802 HB3 LEU 104 3HB LEU 104 11.075 -1.123 -2.668 803 HG LEU 104 HG LEU 104 9.133 0.372 -2.295 804 HD11 LEU 104 1HD1 LEU 104 7.709 -1.365 -4.359 805 HD12 LEU 104 2HD1 LEU 104 8.061 0.377 -4.506 806 HD13 LEU 104 3HD1 LEU 104 6.930 -0.180 -3.288 807 HD21 LEU 104 3HD2 LEU 104 7.564 -1.310 -1.350 808 HD22 LEU 104 1HD2 LEU 104 9.246 -1.597 -0.922 809 HD23 LEU 104 2HD2 LEU 104 8.475 -2.591 -2.184 810 H LEU 105 H LEU 105 12.978 0.800 -3.084 811 HA LEU 105 HA LEU 105 11.728 3.232 -2.225 812 HB2 LEU 105 2HB LEU 105 13.452 2.181 -0.833 813 HB3 LEU 105 3HB LEU 105 14.675 2.629 -2.026 814 HG LEU 105 HG LEU 105 14.231 5.034 -1.660 815 HD11 LEU 105 1HD1 LEU 105 12.799 5.832 0.183 816 HD12 LEU 105 2HD1 LEU 105 12.212 4.181 0.469 817 HD13 LEU 105 3HD1 LEU 105 11.815 5.042 -1.037 818 HD21 LEU 105 3HD2 LEU 105 15.845 3.883 -0.218 819 HD22 LEU 105 1HD2 LEU 105 14.562 3.542 0.966 820 HD23 LEU 105 2HD2 LEU 105 15.043 5.219 0.621 821 H ARG 106 H ARG 106 13.904 2.700 -5.158 822 HA ARG 106 HA ARG 106 13.882 5.589 -5.555 823 HB2 ARG 106 2HB ARG 106 14.566 5.301 -7.790 824 HB3 ARG 106 3HB ARG 106 15.512 4.283 -6.710 825 HG2 ARG 106 2HG ARG 106 14.257 2.306 -7.445 826 HG3 ARG 106 3HG ARG 106 13.260 3.300 -8.526 827 HD2 ARG 106 2HD ARG 106 15.235 3.957 -9.803 828 HD3 ARG 106 3HD ARG 106 16.301 3.111 -8.688 829 HE ARG 106 HE ARG 106 14.482 1.910 -10.715 830 HH11 ARG 106 1HH1 ARG 106 16.887 1.265 -8.244 831 HH12 ARG 106 2HH1 ARG 106 17.201 -0.339 -8.846 832 HH21 ARG 106 1HH2 ARG 106 14.926 -0.146 -11.415 833 HH22 ARG 106 2HH2 ARG 106 16.098 -1.118 -10.579 834 H GLU 107 H GLU 107 11.610 3.069 -6.612 835 HA GLU 107 HA GLU 107 9.849 4.765 -8.058 836 HB2 GLU 107 2HB GLU 107 10.014 2.165 -7.881 837 HB3 GLU 107 3HB GLU 107 8.925 2.347 -6.503 838 HG2 GLU 107 2HG GLU 107 7.581 1.905 -8.391 839 HG3 GLU 107 3HG GLU 107 7.361 3.624 -8.090 840 H LEU 108 H LEU 108 9.967 4.110 -4.555 841 HA LEU 108 HA LEU 108 7.669 5.905 -4.028 842 HB2 LEU 108 2HB LEU 108 9.523 4.382 -2.166 843 HB3 LEU 108 3HB LEU 108 8.098 5.291 -1.666 844 HG LEU 108 HG LEU 108 8.043 2.846 -3.492 845 HD11 LEU 108 1HD1 LEU 108 8.728 2.366 -1.153 846 HD12 LEU 108 2HD1 LEU 108 7.125 1.701 -1.516 847 HD13 LEU 108 3HD1 LEU 108 7.276 3.202 -0.572 848 HD21 LEU 108 3HD2 LEU 108 5.627 2.844 -3.094 849 HD22 LEU 108 1HD2 LEU 108 6.115 4.335 -3.906 850 HD23 LEU 108 2HD2 LEU 108 5.769 4.346 -2.160 851 H SER 109 H SER 109 11.183 6.115 -3.973 852 HA SER 109 HA SER 109 11.441 8.459 -2.429 853 HB2 SER 109 2HB SER 109 13.388 7.166 -2.893 854 HB3 SER 109 3HB SER 109 13.256 7.510 -4.638 855 HG SER 109 HG SER 109 13.603 9.405 -2.535 856 H ASP 110 H ASP 110 10.576 7.850 -5.807 857 HA ASP 110 HA ASP 110 10.428 10.424 -6.932 858 HB2 ASP 110 2HB ASP 110 9.896 8.102 -7.899 859 HB3 ASP 110 3HB ASP 110 8.310 8.257 -7.143 860 H VAL 111 H VAL 111 8.496 9.161 -4.267 861 HA VAL 111 HA VAL 111 6.900 11.672 -4.077 862 HB VAL 111 HB VAL 111 6.477 8.897 -2.901 863 HG11 VAL 111 1HG1 VAL 111 5.654 10.501 -1.274 864 HG12 VAL 111 2HG1 VAL 111 4.863 11.460 -2.557 865 HG13 VAL 111 3HG1 VAL 111 4.262 9.852 -2.130 866 HG21 VAL 111 3HG2 VAL 111 4.904 10.493 -4.974 867 HG22 VAL 111 1HG2 VAL 111 5.862 9.028 -5.279 868 HG23 VAL 111 2HG2 VAL 111 4.410 8.932 -4.286 869 H VAL 112 H VAL 112 9.366 9.725 -2.555 870 HA VAL 112 HA VAL 112 9.533 11.494 -0.145 871 HB VAL 112 HB VAL 112 10.342 8.565 -0.435 872 HG11 VAL 112 1HG1 VAL 112 11.714 9.607 1.281 873 HG12 VAL 112 2HG1 VAL 112 10.314 10.481 1.938 874 HG13 VAL 112 3HG1 VAL 112 10.427 8.713 2.093 875 HG21 VAL 112 3HG2 VAL 112 7.955 9.832 0.979 876 HG22 VAL 112 1HG2 VAL 112 7.894 8.781 -0.455 877 HG23 VAL 112 2HG2 VAL 112 8.453 8.126 1.077 878 HA PRO 113 HA PRO 113 13.477 12.353 -2.395 879 HB2 PRO 113 2HB PRO 113 13.036 14.976 -0.972 880 HB3 PRO 113 3HB PRO 113 13.656 14.679 -2.626 881 HG2 PRO 113 2HG PRO 113 11.106 15.499 -2.264 882 HG3 PRO 113 3HG PRO 113 11.456 14.182 -3.434 883 HD2 PRO 113 2HD PRO 113 10.477 13.932 -0.569 884 HD3 PRO 113 3HD PRO 113 9.873 13.143 -2.057 885 H ASN 114 H ASN 114 12.517 12.257 0.908 886 HA ASN 114 HA ASN 114 14.858 13.229 2.195 887 HB2 ASN 114 2HB ASN 114 12.591 13.074 3.194 888 HB3 ASN 114 3HB ASN 114 12.702 11.315 3.184 889 HD21 ASN 114 1HD2 ASN 114 14.175 14.280 4.567 890 HD22 ASN 114 2HD2 ASN 114 14.792 13.462 5.995 891 H LEU 115 H LEU 115 14.233 9.994 0.880 892 HA LEU 115 HA LEU 115 16.994 9.237 1.493 893 HB2 LEU 115 2HB LEU 115 15.610 8.538 3.507 894 HB3 LEU 115 3HB LEU 115 14.679 7.496 2.435 895 HG LEU 115 HG LEU 115 16.790 6.219 1.912 896 HD11 LEU 115 1HD1 LEU 115 17.978 7.963 4.113 897 HD12 LEU 115 2HD1 LEU 115 18.499 7.921 2.414 898 HD13 LEU 115 3HD1 LEU 115 18.731 6.503 3.437 899 HD21 LEU 115 3HD2 LEU 115 16.058 6.442 4.859 900 HD22 LEU 115 1HD2 LEU 115 16.924 5.086 4.100 901 HD23 LEU 115 2HD2 LEU 115 15.253 5.422 3.641 902 H ASN 116 H ASN 116 17.872 7.920 -0.002 903 HA ASN 116 HA ASN 116 16.273 6.199 -1.766 904 HB2 ASN 116 2HB ASN 116 16.286 8.347 -2.979 905 HB3 ASN 116 3HB ASN 116 18.037 8.446 -2.845 906 HD21 ASN 116 1HD2 ASN 116 19.324 6.818 -4.015 907 HD22 ASN 116 2HD2 ASN 116 18.638 6.111 -5.476 Start of MODEL 20 1 H1 MET 1 1H MET 1 17.041 -4.679 22.805 2 H2 MET 1 2H MET 1 16.997 -5.465 24.238 3 HA MET 1 HA MET 1 16.936 -7.046 22.427 4 HB2 MET 1 2HB MET 1 14.297 -6.840 23.949 5 HB3 MET 1 3HB MET 1 14.798 -8.233 22.990 6 HG2 MET 1 2HG MET 1 16.194 -7.184 25.476 7 HG3 MET 1 3HG MET 1 15.221 -8.643 25.332 8 HE1 MET 1 3HE MET 1 18.088 -8.617 26.662 9 HE2 MET 1 1HE MET 1 17.088 -10.079 26.486 10 HE3 MET 1 2HE MET 1 18.789 -10.096 25.969 11 H THR 2 H THR 2 15.777 -7.955 20.604 12 HA THR 2 HA THR 2 14.673 -5.946 18.787 13 HB THR 2 HB THR 2 14.468 -7.935 17.242 14 HG1 THR 2 HG1 THR 2 15.521 -9.813 17.894 15 HG21 THR 2 3HG2 THR 2 16.874 -8.148 16.853 16 HG22 THR 2 1HG2 THR 2 17.228 -7.495 18.469 17 HG23 THR 2 2HG2 THR 2 16.468 -6.468 17.233 18 H ASP 3 H ASP 3 12.656 -6.220 17.629 19 HA ASP 3 HA ASP 3 10.510 -7.777 18.929 20 HB2 ASP 3 2HB ASP 3 10.622 -5.558 20.099 21 HB3 ASP 3 3HB ASP 3 10.338 -4.760 18.555 22 H SER 4 H SER 4 8.758 -8.231 17.558 23 HA SER 4 HA SER 4 9.362 -7.974 14.679 24 HB2 SER 4 2HB SER 4 7.796 -9.885 14.475 25 HB3 SER 4 3HB SER 4 9.175 -10.198 15.539 26 HG SER 4 HG SER 4 7.185 -10.907 16.456 27 H GLU 5 H GLU 5 7.344 -6.282 16.779 28 HA GLU 5 HA GLU 5 5.311 -5.737 14.639 29 HB2 GLU 5 2HB GLU 5 4.900 -5.875 17.647 30 HB3 GLU 5 3HB GLU 5 3.682 -5.413 16.458 31 HG2 GLU 5 2HG GLU 5 3.933 -7.633 15.401 32 HG3 GLU 5 3HG GLU 5 4.985 -8.105 16.735 33 H LYS 6 H LYS 6 7.904 -4.327 15.900 34 HA LYS 6 HA LYS 6 6.862 -1.712 16.596 35 HB2 LYS 6 2HB LYS 6 9.168 -1.092 16.987 36 HB3 LYS 6 3HB LYS 6 8.749 -2.615 17.731 37 HG2 LYS 6 2HG LYS 6 10.920 -2.920 16.922 38 HG3 LYS 6 3HG LYS 6 9.889 -3.838 15.849 39 HD2 LYS 6 2HD LYS 6 11.685 -2.707 14.628 40 HD3 LYS 6 3HD LYS 6 10.114 -2.150 14.096 41 HE2 LYS 6 2HE LYS 6 11.594 -0.252 14.238 42 HE3 LYS 6 3HE LYS 6 10.368 -0.089 15.492 43 HZ1 LYS 6 3HZ LYS 6 12.020 -0.900 17.105 44 HZ2 LYS 6 1HZ LYS 6 12.606 0.402 16.323 45 HZ3 LYS 6 2HZ LYS 6 13.141 -1.086 15.928 46 H SER 7 H SER 7 6.850 -2.915 13.625 47 HA SER 7 HA SER 7 7.816 -0.665 12.041 48 HB2 SER 7 2HB SER 7 6.622 -1.836 10.206 49 HB3 SER 7 3HB SER 7 7.752 -2.889 11.079 50 HG SER 7 HG SER 7 5.739 -3.918 10.735 51 H ALA 8 H ALA 8 6.491 0.948 10.977 52 HA ALA 8 HA ALA 8 4.035 1.586 12.454 53 HB1 ALA 8 3HB ALA 8 4.194 3.769 11.520 54 HB2 ALA 8 1HB ALA 8 5.796 3.292 12.113 55 HB3 ALA 8 2HB ALA 8 5.436 3.268 10.367 56 H THR 9 H THR 9 3.358 -0.620 11.269 57 HA THR 9 HA THR 9 2.044 -0.083 8.676 58 HB THR 9 HB THR 9 1.332 -2.460 8.797 59 HG1 THR 9 HG1 THR 9 2.417 -3.751 10.338 60 HG21 THR 9 3HG2 THR 9 4.336 -2.073 9.090 61 HG22 THR 9 1HG2 THR 9 3.402 -1.795 7.599 62 HG23 THR 9 2HG2 THR 9 3.506 -3.422 8.287 63 H ILE 10 H ILE 10 -0.155 -0.248 8.319 64 HA ILE 10 HA ILE 10 -1.993 -0.693 10.609 65 HB ILE 10 HB ILE 10 -3.509 1.056 9.888 66 HG12 ILE 10 2HG1 ILE 10 -1.358 1.985 7.937 67 HG13 ILE 10 3HG1 ILE 10 -2.866 1.175 7.497 68 HG21 ILE 10 1HG2 ILE 10 -0.770 2.269 10.414 69 HG22 ILE 10 2HG2 ILE 10 -2.356 2.941 10.842 70 HG23 ILE 10 3HG2 ILE 10 -1.781 1.483 11.648 71 HD11 ILE 10 3HD1 ILE 10 -2.623 3.921 8.771 72 HD12 ILE 10 1HD1 ILE 10 -3.151 3.528 7.130 73 HD13 ILE 10 2HD1 ILE 10 -4.157 3.053 8.512 74 H LYS 11 H LYS 11 -4.168 -1.349 9.952 75 HA LYS 11 HA LYS 11 -4.295 -2.561 7.209 76 HB2 LYS 11 2HB LYS 11 -5.798 -3.452 9.694 77 HB3 LYS 11 3HB LYS 11 -5.964 -4.110 8.061 78 HG2 LYS 11 2HG LYS 11 -3.470 -4.691 8.151 79 HG3 LYS 11 3HG LYS 11 -3.495 -4.213 9.848 80 HD2 LYS 11 2HD LYS 11 -3.732 -6.584 9.842 81 HD3 LYS 11 3HD LYS 11 -5.306 -5.916 10.262 82 HE2 LYS 11 2HE LYS 11 -5.698 -7.711 8.725 83 HE3 LYS 11 3HE LYS 11 -6.019 -6.213 7.852 84 HZ1 LYS 11 3HZ LYS 11 -3.571 -7.884 7.645 85 HZ2 LYS 11 1HZ LYS 11 -3.727 -6.418 6.925 86 HZ3 LYS 11 2HZ LYS 11 -4.690 -7.644 6.470 87 H VAL 12 H VAL 12 -5.950 -2.060 5.899 88 HA VAL 12 HA VAL 12 -8.121 -0.260 6.872 89 HB VAL 12 HB VAL 12 -7.949 1.159 4.905 90 HG11 VAL 12 1HG1 VAL 12 -6.842 1.821 7.025 91 HG12 VAL 12 2HG1 VAL 12 -5.319 1.119 6.438 92 HG13 VAL 12 3HG1 VAL 12 -6.044 2.497 5.594 93 HG21 VAL 12 3HG2 VAL 12 -5.330 -0.277 4.290 94 HG22 VAL 12 1HG2 VAL 12 -6.804 -0.294 3.299 95 HG23 VAL 12 2HG2 VAL 12 -5.907 1.212 3.515 96 H THR 13 H THR 13 -10.049 -0.326 5.681 97 HA THR 13 HA THR 13 -10.399 -2.461 3.621 98 HB THR 13 HB THR 13 -12.351 -3.340 4.767 99 HG1 THR 13 HG1 THR 13 -11.662 -1.553 6.856 100 HG21 THR 13 3HG2 THR 13 -10.054 -3.359 6.758 101 HG22 THR 13 1HG2 THR 13 -10.190 -4.412 5.330 102 HG23 THR 13 2HG2 THR 13 -11.390 -4.519 6.632 103 H ASP 14 H ASP 14 -12.745 -2.358 2.750 104 HA ASP 14 HA ASP 14 -13.471 0.169 1.757 105 HB2 ASP 14 2HB ASP 14 -14.232 -2.005 0.900 106 HB3 ASP 14 3HB ASP 14 -15.204 -2.260 2.350 107 H ALA 15 H ALA 15 -14.159 -1.112 4.965 108 HA ALA 15 HA ALA 15 -16.198 0.903 5.597 109 HB1 ALA 15 3HB ALA 15 -16.265 -0.254 7.756 110 HB2 ALA 15 1HB ALA 15 -16.366 -1.415 6.421 111 HB3 ALA 15 2HB ALA 15 -14.838 -1.214 7.312 112 H SER 16 H SER 16 -12.738 0.903 5.673 113 HA SER 16 HA SER 16 -12.685 3.147 7.662 114 HB2 SER 16 2HB SER 16 -10.689 2.138 8.663 115 HB3 SER 16 3HB SER 16 -12.112 1.097 8.802 116 HG SER 16 HG SER 16 -10.276 -0.072 8.167 117 H PHE 17 H PHE 17 -11.553 2.103 4.580 118 HA PHE 17 HA PHE 17 -9.015 3.189 4.364 119 HB2 PHE 17 2HB PHE 17 -10.129 1.749 2.726 120 HB3 PHE 17 3HB PHE 17 -11.266 3.023 2.320 121 HD1 PHE 17 HD1 PHE 17 -10.469 5.057 1.049 122 HD2 PHE 17 HD2 PHE 17 -7.951 1.625 1.757 123 HE1 PHE 17 HE1 PHE 17 -8.984 5.752 -0.815 124 HE2 PHE 17 HE2 PHE 17 -6.516 2.293 -0.161 125 HZ PHE 17 HZ PHE 17 -7.033 4.354 -1.435 126 H ALA 18 H ALA 18 -12.112 4.995 3.903 127 HA ALA 18 HA ALA 18 -10.829 7.386 3.053 128 HB1 ALA 18 3HB ALA 18 -13.539 7.002 4.391 129 HB2 ALA 18 1HB ALA 18 -13.013 8.441 3.488 130 HB3 ALA 18 2HB ALA 18 -13.199 6.893 2.645 131 H THR 19 H THR 19 -11.573 6.195 6.308 132 HA THR 19 HA THR 19 -10.898 8.667 7.675 133 HB THR 19 HB THR 19 -11.033 5.946 9.003 134 HG1 THR 19 HG1 THR 19 -13.288 6.149 9.045 135 HG21 THR 19 3HG2 THR 19 -12.275 7.220 10.755 136 HG22 THR 19 1HG2 THR 19 -12.078 8.707 9.799 137 HG23 THR 19 2HG2 THR 19 -10.663 7.883 10.489 138 H ASP 20 H ASP 20 -8.957 6.092 6.467 139 HA ASP 20 HA ASP 20 -6.671 6.896 8.242 140 HB2 ASP 20 2HB ASP 20 -7.472 4.254 7.021 141 HB3 ASP 20 3HB ASP 20 -5.814 4.571 7.519 142 H VAL 21 H VAL 21 -7.564 6.359 4.850 143 HA VAL 21 HA VAL 21 -4.802 7.040 3.964 144 HB VAL 21 HB VAL 21 -7.099 5.951 2.304 145 HG11 VAL 21 1HG1 VAL 21 -5.363 5.357 0.710 146 HG12 VAL 21 2HG1 VAL 21 -5.286 7.087 1.023 147 HG13 VAL 21 3HG1 VAL 21 -4.101 5.998 1.781 148 HG21 VAL 21 3HG2 VAL 21 -5.953 3.761 2.474 149 HG22 VAL 21 1HG2 VAL 21 -4.812 4.443 3.655 150 HG23 VAL 21 2HG2 VAL 21 -6.545 4.291 4.035 151 H LEU 22 H LEU 22 -8.209 7.926 3.205 152 HA LEU 22 HA LEU 22 -7.343 10.251 1.660 153 HB2 LEU 22 2HB LEU 22 -10.149 9.520 2.532 154 HB3 LEU 22 3HB LEU 22 -9.692 10.667 1.282 155 HG LEU 22 HG LEU 22 -9.219 7.658 1.181 156 HD11 LEU 22 1HD1 LEU 22 -10.923 7.672 -0.578 157 HD12 LEU 22 2HD1 LEU 22 -11.136 9.427 -0.386 158 HD13 LEU 22 3HD1 LEU 22 -11.589 8.322 0.928 159 HD21 LEU 22 3HD2 LEU 22 -8.602 8.037 -1.193 160 HD22 LEU 22 1HD2 LEU 22 -7.462 8.820 -0.099 161 HD23 LEU 22 2HD2 LEU 22 -8.704 9.786 -0.934 162 H SER 23 H SER 23 -7.869 9.735 4.979 163 HA SER 23 HA SER 23 -8.542 12.422 5.803 164 HB2 SER 23 2HB SER 23 -8.041 11.559 8.037 165 HB3 SER 23 3HB SER 23 -9.087 10.454 7.125 166 HG SER 23 HG SER 23 -7.429 9.301 8.113 167 H SER 24 H SER 24 -5.616 11.095 4.592 168 HA SER 24 HA SER 24 -3.748 11.821 6.501 169 HB2 SER 24 2HB SER 24 -2.120 11.276 4.739 170 HB3 SER 24 3HB SER 24 -3.393 10.072 4.896 171 HG SER 24 HG SER 24 -4.121 10.534 2.978 172 H ASN 25 H ASN 25 -2.162 13.302 6.705 173 HA ASN 25 HA ASN 25 -2.163 15.748 4.988 174 HB2 ASN 25 2HB ASN 25 -3.009 16.000 7.381 175 HB3 ASN 25 3HB ASN 25 -1.387 15.570 7.926 176 HD21 ASN 25 1HD2 ASN 25 -1.322 17.679 8.983 177 HD22 ASN 25 2HD2 ASN 25 -1.031 19.120 8.020 178 H LYS 26 H LYS 26 -0.702 13.102 4.913 179 HA LYS 26 HA LYS 26 2.029 14.008 4.299 180 HB2 LYS 26 2HB LYS 26 3.066 12.183 5.570 181 HB3 LYS 26 3HB LYS 26 2.143 13.212 6.660 182 HG2 LYS 26 2HG LYS 26 0.254 11.547 6.565 183 HG3 LYS 26 3HG LYS 26 1.260 10.499 5.567 184 HD2 LYS 26 2HD LYS 26 1.911 11.369 8.412 185 HD3 LYS 26 3HD LYS 26 1.160 9.843 7.936 186 HE2 LYS 26 2HE LYS 26 3.241 9.426 6.480 187 HE3 LYS 26 3HE LYS 26 3.993 10.779 7.336 188 HZ1 LYS 26 3HZ LYS 26 2.923 8.292 8.576 189 HZ2 LYS 26 1HZ LYS 26 3.518 9.553 9.438 190 HZ3 LYS 26 2HZ LYS 26 4.512 8.685 8.484 191 HA PRO 27 HA PRO 27 1.197 10.908 1.130 192 HB2 PRO 27 2HB PRO 27 3.641 9.731 0.612 193 HB3 PRO 27 3HB PRO 27 3.084 11.288 -0.047 194 HG2 PRO 27 2HG PRO 27 4.930 10.802 2.274 195 HG3 PRO 27 3HG PRO 27 5.011 12.082 1.040 196 HD2 PRO 27 2HD PRO 27 4.014 12.460 3.589 197 HD3 PRO 27 3HD PRO 27 3.475 13.414 2.181 198 H VAL 28 H VAL 28 0.391 8.825 1.198 199 HA VAL 28 HA VAL 28 1.272 6.947 3.305 200 HB VAL 28 HB VAL 28 -1.098 6.437 3.665 201 HG11 VAL 28 1HG1 VAL 28 0.229 7.956 5.191 202 HG12 VAL 28 2HG1 VAL 28 -0.504 9.333 4.351 203 HG13 VAL 28 3HG1 VAL 28 -1.528 8.198 5.253 204 HG21 VAL 28 3HG2 VAL 28 -1.719 9.019 2.191 205 HG22 VAL 28 1HG2 VAL 28 -2.173 7.370 1.698 206 HG23 VAL 28 2HG2 VAL 28 -2.859 8.074 3.163 207 H LEU 29 H LEU 29 1.174 4.827 2.777 208 HA LEU 29 HA LEU 29 0.845 4.247 -0.152 209 HB2 LEU 29 2HB LEU 29 3.165 4.508 0.972 210 HB3 LEU 29 3HB LEU 29 2.801 3.021 1.824 211 HG LEU 29 HG LEU 29 3.217 3.447 -1.156 212 HD11 LEU 29 1HD1 LEU 29 4.597 1.701 0.926 213 HD12 LEU 29 2HD1 LEU 29 5.201 3.249 0.303 214 HD13 LEU 29 3HD1 LEU 29 5.055 1.853 -0.782 215 HD21 LEU 29 3HD2 LEU 29 1.460 1.793 -1.128 216 HD22 LEU 29 1HD2 LEU 29 2.248 0.902 0.206 217 HD23 LEU 29 2HD2 LEU 29 2.982 0.961 -1.407 218 H VAL 30 H VAL 30 -0.837 2.866 -0.519 219 HA VAL 30 HA VAL 30 -1.521 0.851 1.575 220 HB VAL 30 HB VAL 30 -3.367 1.621 -0.676 221 HG11 VAL 30 1HG1 VAL 30 -3.764 0.419 2.099 222 HG12 VAL 30 2HG1 VAL 30 -5.060 0.798 0.953 223 HG13 VAL 30 3HG1 VAL 30 -3.872 -0.445 0.552 224 HG21 VAL 30 3HG2 VAL 30 -2.927 3.739 0.483 225 HG22 VAL 30 1HG2 VAL 30 -4.533 3.133 0.848 226 HG23 VAL 30 2HG2 VAL 30 -3.238 2.963 2.054 227 H ASP 31 H ASP 31 -1.107 -1.196 1.194 228 HA ASP 31 HA ASP 31 -0.580 -2.160 -1.582 229 HB2 ASP 31 2HB ASP 31 1.320 -2.422 -0.330 230 HB3 ASP 31 3HB ASP 31 0.483 -2.894 1.134 231 H PHE 32 H PHE 32 -2.211 -3.044 -2.523 232 HA PHE 32 HA PHE 32 -4.331 -4.569 -1.140 233 HB2 PHE 32 2HB PHE 32 -3.866 -3.998 -4.089 234 HB3 PHE 32 3HB PHE 32 -5.307 -4.699 -3.381 235 HD1 PHE 32 HD2 PHE 32 -5.082 -2.429 -0.970 236 HD2 PHE 32 HD1 PHE 32 -5.340 -2.410 -5.271 237 HE1 PHE 32 HE2 PHE 32 -6.242 -0.250 -0.886 238 HE2 PHE 32 HE1 PHE 32 -6.446 -0.189 -5.180 239 HZ PHE 32 HZ PHE 32 -6.927 0.882 -2.991 240 H TRP 33 H TRP 33 -3.805 -6.589 -0.557 241 HA TRP 33 HA TRP 33 -1.963 -8.221 -2.257 242 HB2 TRP 33 2HB TRP 33 -0.519 -8.586 -0.490 243 HB3 TRP 33 3HB TRP 33 -0.931 -6.898 -0.276 244 HD1 TRP 33 HD1 TRP 33 -2.886 -6.445 1.663 245 HE1 TRP 33 HE1 TRP 33 -3.559 -7.778 3.775 246 HE3 TRP 33 HE3 TRP 33 -0.312 -10.775 0.762 247 HZ2 TRP 33 HZ2 TRP 33 -2.898 -10.296 4.987 248 HZ3 TRP 33 HZ3 TRP 33 -0.348 -12.625 2.415 249 HH2 TRP 33 HH2 TRP 33 -1.675 -12.416 4.499 250 H ALA 34 H ALA 34 -1.857 -10.548 -1.626 251 HA ALA 34 HA ALA 34 -4.320 -11.556 -0.296 252 HB1 ALA 34 3HB ALA 34 -3.315 -12.506 -3.008 253 HB2 ALA 34 1HB ALA 34 -4.708 -13.139 -2.104 254 HB3 ALA 34 2HB ALA 34 -4.742 -11.485 -2.733 255 H THR 35 H THR 35 -4.298 -13.451 0.677 256 HA THR 35 HA THR 35 -1.957 -14.349 1.983 257 HB THR 35 HB THR 35 -3.453 -16.276 2.669 258 HG1 THR 35 HG1 THR 35 -5.628 -16.077 2.019 259 HG21 THR 35 3HG2 THR 35 -3.408 -14.169 3.971 260 HG22 THR 35 1HG2 THR 35 -5.020 -14.899 3.965 261 HG23 THR 35 2HG2 THR 35 -4.682 -13.491 2.936 262 H TRP 36 H TRP 36 -3.476 -15.514 -0.994 263 HA TRP 36 HA TRP 36 -1.786 -17.910 -1.133 264 HB2 TRP 36 2HB TRP 36 -3.023 -18.308 -3.221 265 HB3 TRP 36 3HB TRP 36 -4.063 -18.042 -1.837 266 HD1 TRP 36 HD1 TRP 36 -5.800 -16.125 -1.960 267 HE1 TRP 36 HE1 TRP 36 -6.556 -14.483 -3.768 268 HE3 TRP 36 HE3 TRP 36 -1.984 -16.793 -5.337 269 HZ2 TRP 36 HZ2 TRP 36 -5.613 -13.522 -6.308 270 HZ3 TRP 36 HZ3 TRP 36 -1.923 -15.450 -7.425 271 HH2 TRP 36 HH2 TRP 36 -3.723 -13.812 -7.921 272 H CYS 37 H CYS 37 -1.226 -14.654 -2.052 273 HA CYS 37 HA CYS 37 0.028 -15.290 -4.600 274 HB2 CYS 37 2HB CYS 37 -1.513 -13.441 -4.325 275 HB3 CYS 37 3HB CYS 37 -0.441 -12.686 -3.140 276 HG CYS 37 HG CYS 37 0.039 -13.357 -6.362 277 H GLY 38 H GLY 38 2.035 -15.856 -4.916 278 HA2 GLY 38 2HA GLY 38 4.203 -15.749 -3.078 279 HA3 GLY 38 3HA GLY 38 4.322 -16.019 -4.820 280 HA PRO 39 HA PRO 39 5.725 -11.773 -5.465 281 HB2 PRO 39 2HB PRO 39 3.049 -10.987 -6.602 282 HB3 PRO 39 3HB PRO 39 4.684 -10.557 -7.197 283 HG2 PRO 39 2HG PRO 39 3.336 -12.564 -8.387 284 HG3 PRO 39 3HG PRO 39 5.064 -12.809 -7.959 285 HD2 PRO 39 2HD PRO 39 2.605 -13.768 -6.482 286 HD3 PRO 39 3HD PRO 39 4.122 -14.638 -6.827 287 H CYS 40 H CYS 40 2.490 -11.947 -3.868 288 HA CYS 40 HA CYS 40 2.837 -9.442 -2.428 289 HB2 CYS 40 2HB CYS 40 1.158 -11.887 -1.752 290 HB3 CYS 40 3HB CYS 40 1.221 -10.398 -0.803 291 HG CYS 40 HG CYS 40 0.503 -10.646 -4.027 292 H LYS 41 H LYS 41 3.706 -12.879 -1.636 293 HA LYS 41 HA LYS 41 5.047 -12.186 0.840 294 HB2 LYS 41 2HB LYS 41 5.913 -14.460 -0.981 295 HB3 LYS 41 3HB LYS 41 6.172 -14.293 0.748 296 HG2 LYS 41 2HG LYS 41 3.600 -14.899 -0.696 297 HG3 LYS 41 3HG LYS 41 4.481 -15.933 0.408 298 HD2 LYS 41 2HD LYS 41 3.914 -14.537 2.318 299 HD3 LYS 41 3HD LYS 41 3.134 -13.324 1.292 300 HE2 LYS 41 2HE LYS 41 2.250 -16.225 1.476 301 HE3 LYS 41 3HE LYS 41 1.542 -14.916 2.428 302 HZ1 LYS 41 3HZ LYS 41 1.599 -14.894 -0.549 303 HZ2 LYS 41 1HZ LYS 41 0.773 -13.866 0.416 304 HZ3 LYS 41 2HZ LYS 41 0.334 -15.445 0.349 305 H MET 42 H MET 42 6.203 -11.952 -2.487 306 HA MET 42 HA MET 42 8.950 -11.396 -1.788 307 HB2 MET 42 2HB MET 42 7.374 -10.676 -4.282 308 HB3 MET 42 3HB MET 42 9.114 -10.476 -4.100 309 HG2 MET 42 2HG MET 42 9.445 -12.858 -3.837 310 HG3 MET 42 3HG MET 42 7.709 -13.150 -3.805 311 HE1 MET 42 3HE MET 42 8.570 -14.858 -7.153 312 HE2 MET 42 1HE MET 42 9.481 -14.885 -5.626 313 HE3 MET 42 2HE MET 42 7.704 -14.976 -5.605 314 H VAL 43 H VAL 43 6.190 -9.141 -2.431 315 HA VAL 43 HA VAL 43 7.959 -6.848 -1.877 316 HB VAL 43 HB VAL 43 6.276 -6.928 -3.718 317 HG11 VAL 43 1HG1 VAL 43 4.239 -6.287 -1.550 318 HG12 VAL 43 2HG1 VAL 43 3.976 -6.307 -3.301 319 HG13 VAL 43 3HG1 VAL 43 4.338 -7.813 -2.448 320 HG21 VAL 43 3HG2 VAL 43 6.034 -4.541 -1.864 321 HG22 VAL 43 1HG2 VAL 43 7.382 -4.843 -2.979 322 HG23 VAL 43 2HG2 VAL 43 5.748 -4.574 -3.612 323 H ALA 44 H ALA 44 5.551 -8.596 0.023 324 HA ALA 44 HA ALA 44 4.909 -6.697 1.955 325 HB1 ALA 44 3HB ALA 44 4.526 -8.648 3.445 326 HB2 ALA 44 1HB ALA 44 3.844 -8.867 1.824 327 HB3 ALA 44 2HB ALA 44 5.352 -9.692 2.268 328 HA PRO 45 HA PRO 45 8.728 -7.512 4.691 329 HB2 PRO 45 2HB PRO 45 11.070 -8.467 3.617 330 HB3 PRO 45 3HB PRO 45 9.799 -9.511 4.322 331 HG2 PRO 45 2HG PRO 45 10.220 -8.816 1.397 332 HG3 PRO 45 3HG PRO 45 9.980 -10.437 2.125 333 HD2 PRO 45 2HD PRO 45 7.930 -9.105 1.019 334 HD3 PRO 45 3HD PRO 45 7.686 -10.015 2.535 335 H VAL 46 H VAL 46 9.140 -6.490 1.311 336 HA VAL 46 HA VAL 46 11.137 -4.460 1.890 337 HB VAL 46 HB VAL 46 9.293 -4.434 -0.517 338 HG11 VAL 46 1HG1 VAL 46 11.159 -3.295 -1.548 339 HG12 VAL 46 2HG1 VAL 46 10.816 -2.467 -0.020 340 HG13 VAL 46 3HG1 VAL 46 12.174 -3.591 -0.103 341 HG21 VAL 46 3HG2 VAL 46 11.028 -5.740 -1.709 342 HG22 VAL 46 1HG2 VAL 46 11.878 -6.024 -0.172 343 HG23 VAL 46 2HG2 VAL 46 10.257 -6.698 -0.455 344 H LEU 47 H LEU 47 7.590 -4.425 1.388 345 HA LEU 47 HA LEU 47 7.136 -1.672 2.056 346 HB2 LEU 47 2HB LEU 47 5.499 -4.219 2.146 347 HB3 LEU 47 3HB LEU 47 4.825 -2.708 2.742 348 HG LEU 47 HG LEU 47 5.916 -2.952 -0.080 349 HD11 LEU 47 1HD1 LEU 47 3.104 -3.414 0.950 350 HD12 LEU 47 2HD1 LEU 47 4.169 -4.627 0.217 351 HD13 LEU 47 3HD1 LEU 47 3.568 -3.285 -0.767 352 HD21 LEU 47 3HD2 LEU 47 3.937 -1.035 1.239 353 HD22 LEU 47 1HD2 LEU 47 4.429 -1.011 -0.463 354 HD23 LEU 47 2HD2 LEU 47 5.612 -0.642 0.796 355 H GLU 48 H GLU 48 7.418 -4.573 4.157 356 HA GLU 48 HA GLU 48 6.750 -3.225 6.590 357 HB2 GLU 48 2HB GLU 48 6.815 -5.723 6.128 358 HB3 GLU 48 3HB GLU 48 8.576 -5.637 6.280 359 HG2 GLU 48 2HG GLU 48 8.270 -4.730 8.599 360 HG3 GLU 48 3HG GLU 48 6.518 -4.865 8.385 361 H GLU 49 H GLU 49 9.947 -3.700 4.973 362 HA GLU 49 HA GLU 49 11.468 -2.247 6.947 363 HB2 GLU 49 2HB GLU 49 11.905 -2.765 3.984 364 HB3 GLU 49 3HB GLU 49 12.979 -1.751 4.954 365 HG2 GLU 49 2HG GLU 49 13.387 -3.622 6.510 366 HG3 GLU 49 3HG GLU 49 12.331 -4.663 5.555 367 H ILE 50 H ILE 50 9.761 -1.072 3.962 368 HA ILE 50 HA ILE 50 10.408 1.692 4.401 369 HB ILE 50 HB ILE 50 8.019 0.386 3.054 370 HG12 ILE 50 2HG1 ILE 50 10.165 -0.089 1.939 371 HG13 ILE 50 3HG1 ILE 50 9.095 0.877 0.952 372 HG21 ILE 50 1HG2 ILE 50 8.808 3.322 2.927 373 HG22 ILE 50 2HG2 ILE 50 7.532 2.513 1.979 374 HG23 ILE 50 3HG2 ILE 50 7.366 2.669 3.714 375 HD11 ILE 50 3HD1 ILE 50 11.436 1.588 0.751 376 HD12 ILE 50 1HD1 ILE 50 10.464 2.896 1.431 377 HD13 ILE 50 2HD1 ILE 50 11.521 1.926 2.487 378 H ALA 51 H ALA 51 7.643 -0.242 5.646 379 HA ALA 51 HA ALA 51 6.345 1.834 7.068 380 HB1 ALA 51 3HB ALA 51 5.508 -0.531 6.551 381 HB2 ALA 51 1HB ALA 51 6.522 -1.104 7.877 382 HB3 ALA 51 2HB ALA 51 5.211 0.042 8.207 383 H THR 52 H THR 52 9.078 -0.219 8.013 384 HA THR 52 HA THR 52 9.113 0.742 10.784 385 HB THR 52 HB THR 52 11.308 -0.744 9.269 386 HG1 THR 52 HG1 THR 52 9.468 -1.963 9.215 387 HG21 THR 52 3HG2 THR 52 11.872 -1.585 11.553 388 HG22 THR 52 1HG2 THR 52 10.658 -0.477 12.236 389 HG23 THR 52 2HG2 THR 52 12.101 0.165 11.412 390 H GLU 53 H GLU 53 11.150 1.334 7.902 391 HA GLU 53 HA GLU 53 12.941 3.109 9.358 392 HB2 GLU 53 2HB GLU 53 12.744 2.408 6.406 393 HB3 GLU 53 3HB GLU 53 14.079 3.251 7.197 394 HG2 GLU 53 2HG GLU 53 14.442 1.231 8.640 395 HG3 GLU 53 3HG GLU 53 13.258 0.361 7.705 396 H ARG 54 H ARG 54 10.273 3.599 7.082 397 HA ARG 54 HA ARG 54 10.921 6.510 6.832 398 HB2 ARG 54 2HB ARG 54 9.126 4.947 4.975 399 HB3 ARG 54 3HB ARG 54 9.896 6.503 4.706 400 HG2 ARG 54 2HG ARG 54 11.280 3.798 4.842 401 HG3 ARG 54 3HG ARG 54 10.975 4.729 3.387 402 HD2 ARG 54 2HD ARG 54 12.667 6.259 3.808 403 HD3 ARG 54 3HD ARG 54 12.582 6.048 5.561 404 HE ARG 54 HE ARG 54 13.480 3.610 4.326 405 HH11 ARG 54 1HH1 ARG 54 14.692 6.776 5.191 406 HH12 ARG 54 2HH1 ARG 54 16.274 6.163 5.578 407 HH21 ARG 54 2HH2 ARG 54 15.462 2.869 4.984 408 HH22 ARG 54 1HH2 ARG 54 16.728 4.015 5.335 409 H ALA 55 H ALA 55 9.269 5.060 8.993 410 HA ALA 55 HA ALA 55 6.586 5.692 8.912 411 HB1 ALA 55 3HB ALA 55 8.486 5.898 11.289 412 HB2 ALA 55 1HB ALA 55 6.725 5.682 11.371 413 HB3 ALA 55 2HB ALA 55 7.742 4.405 10.676 414 H THR 56 H THR 56 9.214 8.002 9.624 415 HA THR 56 HA THR 56 7.602 10.212 10.459 416 HB THR 56 HB THR 56 10.302 10.336 9.061 417 HG1 THR 56 HG1 THR 56 11.170 10.069 11.127 418 HG21 THR 56 3HG2 THR 56 10.687 12.250 10.615 419 HG22 THR 56 1HG2 THR 56 9.015 12.096 11.202 420 HG23 THR 56 2HG2 THR 56 9.341 12.557 9.516 421 H ASP 57 H ASP 57 8.410 8.988 7.262 422 HA ASP 57 HA ASP 57 7.454 11.459 5.890 423 HB2 ASP 57 2HB ASP 57 8.932 9.015 4.833 424 HB3 ASP 57 3HB ASP 57 8.552 10.477 3.933 425 H LEU 58 H LEU 58 6.881 7.956 6.079 426 HA LEU 58 HA LEU 58 4.362 8.192 4.500 427 HB2 LEU 58 2HB LEU 58 6.380 5.913 4.582 428 HB3 LEU 58 3HB LEU 58 4.828 5.855 3.746 429 HG LEU 58 HG LEU 58 7.081 7.750 3.034 430 HD11 LEU 58 1HD1 LEU 58 7.728 5.437 2.612 431 HD12 LEU 58 2HD1 LEU 58 7.400 6.262 1.082 432 HD13 LEU 58 3HD1 LEU 58 6.201 5.130 1.751 433 HD21 LEU 58 3HD2 LEU 58 4.511 6.996 1.559 434 HD22 LEU 58 1HD2 LEU 58 5.793 8.069 0.944 435 HD23 LEU 58 2HD2 LEU 58 4.837 8.549 2.352 436 H THR 59 H THR 59 2.617 6.976 5.178 437 HA THR 59 HA THR 59 3.029 5.137 7.515 438 HB THR 59 HB THR 59 0.373 6.366 6.726 439 HG1 THR 59 HG1 THR 59 0.625 7.389 8.766 440 HG21 THR 59 3HG2 THR 59 1.216 4.615 9.081 441 HG22 THR 59 1HG2 THR 59 0.148 4.127 7.745 442 HG23 THR 59 2HG2 THR 59 -0.377 5.378 8.875 443 H VAL 60 H VAL 60 2.873 3.042 7.001 444 HA VAL 60 HA VAL 60 2.101 2.371 4.204 445 HB VAL 60 HB VAL 60 3.875 0.899 6.179 446 HG11 VAL 60 1HG1 VAL 60 2.985 0.115 3.356 447 HG12 VAL 60 2HG1 VAL 60 4.296 -0.664 4.267 448 HG13 VAL 60 3HG1 VAL 60 2.638 -0.781 4.855 449 HG21 VAL 60 3HG2 VAL 60 4.947 2.823 5.095 450 HG22 VAL 60 1HG2 VAL 60 5.578 1.308 4.433 451 HG23 VAL 60 2HG2 VAL 60 4.407 2.255 3.499 452 H ALA 61 H ALA 61 0.338 1.210 3.797 453 HA ALA 61 HA ALA 61 -1.207 -0.008 6.028 454 HB1 ALA 61 3HB ALA 61 -3.217 0.896 4.940 455 HB2 ALA 61 1HB ALA 61 -2.077 2.202 5.327 456 HB3 ALA 61 2HB ALA 61 -2.212 1.616 3.664 457 H LYS 62 H LYS 62 -2.456 -1.848 5.555 458 HA LYS 62 HA LYS 62 -2.122 -3.090 2.842 459 HB2 LYS 62 2HB LYS 62 -1.846 -4.445 5.546 460 HB3 LYS 62 3HB LYS 62 -2.054 -5.305 4.014 461 HG2 LYS 62 2HG LYS 62 0.022 -4.244 3.128 462 HG3 LYS 62 3HG LYS 62 0.241 -3.405 4.666 463 HD2 LYS 62 2HD LYS 62 1.693 -5.307 4.704 464 HD3 LYS 62 3HD LYS 62 0.377 -5.598 5.835 465 HE2 LYS 62 2HE LYS 62 0.663 -7.656 4.735 466 HE3 LYS 62 3HE LYS 62 -0.770 -6.959 3.987 467 HZ1 LYS 62 3HZ LYS 62 0.709 -7.840 2.309 468 HZ2 LYS 62 1HZ LYS 62 1.970 -6.943 2.837 469 HZ3 LYS 62 2HZ LYS 62 0.703 -6.222 2.112 470 H LEU 63 H LEU 63 -3.757 -4.126 1.953 471 HA LEU 63 HA LEU 63 -6.286 -4.589 3.463 472 HB2 LEU 63 2HB LEU 63 -6.612 -2.526 2.333 473 HB3 LEU 63 3HB LEU 63 -5.933 -3.118 0.847 474 HG LEU 63 HG LEU 63 -8.449 -2.727 1.095 475 HD11 LEU 63 1HD1 LEU 63 -7.408 -3.707 -0.908 476 HD12 LEU 63 2HD1 LEU 63 -8.988 -4.429 -0.575 477 HD13 LEU 63 3HD1 LEU 63 -7.519 -5.324 -0.181 478 HD21 LEU 63 3HD2 LEU 63 -9.900 -4.359 1.836 479 HD22 LEU 63 1HD2 LEU 63 -8.699 -4.312 3.128 480 HD23 LEU 63 2HD2 LEU 63 -8.669 -5.618 1.927 481 H ASP 64 H ASP 64 -6.816 -6.557 3.393 482 HA ASP 64 HA ASP 64 -5.521 -8.552 1.739 483 HB2 ASP 64 2HB ASP 64 -7.725 -8.676 3.845 484 HB3 ASP 64 3HB ASP 64 -6.960 -10.074 3.098 485 H VAL 65 H VAL 65 -6.245 -8.389 -0.454 486 HA VAL 65 HA VAL 65 -9.061 -8.029 -1.067 487 HB VAL 65 HB VAL 65 -8.567 -8.400 -3.378 488 HG11 VAL 65 1HG1 VAL 65 -7.021 -6.560 -3.764 489 HG12 VAL 65 2HG1 VAL 65 -8.120 -6.189 -2.427 490 HG13 VAL 65 3HG1 VAL 65 -6.436 -6.657 -2.089 491 HG21 VAL 65 3HG2 VAL 65 -6.386 -8.865 -4.254 492 HG22 VAL 65 1HG2 VAL 65 -5.689 -9.014 -2.640 493 HG23 VAL 65 2HG2 VAL 65 -6.873 -10.211 -3.216 494 H ASP 66 H ASP 66 -7.370 -10.790 -0.068 495 HA ASP 66 HA ASP 66 -9.034 -12.821 -1.294 496 HB2 ASP 66 2HB ASP 66 -6.786 -13.237 -0.316 497 HB3 ASP 66 3HB ASP 66 -7.424 -12.870 1.289 498 H THR 67 H THR 67 -9.473 -10.667 1.501 499 HA THR 67 HA THR 67 -12.051 -12.057 2.147 500 HB THR 67 HB THR 67 -11.829 -11.206 4.429 501 HG1 THR 67 HG1 THR 67 -9.841 -10.371 5.080 502 HG21 THR 67 3HG2 THR 67 -10.110 -12.735 5.211 503 HG22 THR 67 1HG2 THR 67 -9.364 -12.799 3.599 504 HG23 THR 67 2HG2 THR 67 -10.983 -13.484 3.864 505 H ASN 68 H ASN 68 -10.574 -8.854 1.600 506 HA ASN 68 HA ASN 68 -13.330 -7.832 1.136 507 HB2 ASN 68 2HB ASN 68 -12.572 -7.177 3.421 508 HB3 ASN 68 3HB ASN 68 -11.196 -6.337 2.709 509 HD21 ASN 68 1HD2 ASN 68 -14.803 -6.504 2.338 510 HD22 ASN 68 2HD2 ASN 68 -14.977 -4.766 2.173 511 HA PRO 69 HA PRO 69 -10.523 -6.932 -2.475 512 HB2 PRO 69 2HB PRO 69 -12.252 -7.685 -4.469 513 HB3 PRO 69 3HB PRO 69 -11.195 -8.834 -3.606 514 HG2 PRO 69 2HG PRO 69 -14.107 -8.194 -3.037 515 HG3 PRO 69 3HG PRO 69 -13.346 -9.810 -3.214 516 HD2 PRO 69 2HD PRO 69 -13.802 -8.706 -0.784 517 HD3 PRO 69 3HD PRO 69 -12.312 -9.644 -1.090 518 H GLU 70 H GLU 70 -13.611 -5.848 -1.382 519 HA GLU 70 HA GLU 70 -14.482 -4.176 -3.433 520 HB2 GLU 70 2HB GLU 70 -14.813 -3.911 -0.426 521 HB3 GLU 70 3HB GLU 70 -15.730 -2.974 -1.607 522 HG2 GLU 70 2HG GLU 70 -15.760 -6.018 -1.393 523 HG3 GLU 70 3HG GLU 70 -16.968 -4.938 -0.717 524 H THR 71 H THR 71 -12.012 -3.325 -0.953 525 HA THR 71 HA THR 71 -11.886 -0.541 -1.579 526 HB THR 71 HB THR 71 -9.523 -2.211 -0.778 527 HG1 THR 71 HG1 THR 71 -11.601 -1.166 0.841 528 HG21 THR 71 3HG2 THR 71 -8.894 -0.218 0.512 529 HG22 THR 71 1HG2 THR 71 -10.324 0.649 -0.099 530 HG23 THR 71 2HG2 THR 71 -9.026 0.162 -1.212 531 H ALA 72 H ALA 72 -10.105 -3.325 -2.976 532 HA ALA 72 HA ALA 72 -8.611 -1.685 -4.869 533 HB1 ALA 72 3HB ALA 72 -9.030 -4.700 -4.790 534 HB2 ALA 72 1HB ALA 72 -7.729 -3.798 -5.610 535 HB3 ALA 72 2HB ALA 72 -7.801 -3.831 -3.846 536 H ARG 73 H ARG 73 -11.615 -3.534 -4.976 537 HA ARG 73 HA ARG 73 -12.012 -3.210 -7.809 538 HB2 ARG 73 2HB ARG 73 -12.980 -5.024 -6.413 539 HB3 ARG 73 3HB ARG 73 -13.995 -3.841 -5.580 540 HG2 ARG 73 2HG ARG 73 -15.186 -3.333 -7.667 541 HG3 ARG 73 3HG ARG 73 -14.136 -4.436 -8.571 542 HD2 ARG 73 2HD ARG 73 -15.925 -5.256 -6.243 543 HD3 ARG 73 3HD ARG 73 -16.406 -5.356 -7.934 544 HE ARG 73 HE ARG 73 -14.388 -6.870 -8.258 545 HH11 ARG 73 1HH2 ARG 73 -15.997 -6.868 -5.085 546 HH12 ARG 73 2HH2 ARG 73 -15.726 -8.580 -4.916 547 HH21 ARG 73 1HH1 ARG 73 -13.986 -8.986 -7.836 548 HH22 ARG 73 2HH1 ARG 73 -14.554 -9.711 -6.364 549 H ASN 74 H ASN 74 -12.999 -1.200 -5.039 550 HA ASN 74 HA ASN 74 -14.758 0.578 -6.329 551 HB2 ASN 74 2HB ASN 74 -14.382 0.532 -3.910 552 HB3 ASN 74 3HB ASN 74 -12.712 1.058 -4.114 553 HD21 ASN 74 1HD2 ASN 74 -12.285 3.300 -4.310 554 HD22 ASN 74 2HD2 ASN 74 -13.582 4.478 -4.311 555 H PHE 75 H PHE 75 -11.200 0.608 -6.338 556 HA PHE 75 HA PHE 75 -11.140 2.901 -8.227 557 HB2 PHE 75 2HB PHE 75 -8.886 1.464 -6.796 558 HB3 PHE 75 3HB PHE 75 -8.739 2.930 -7.760 559 HD1 PHE 75 HD1 PHE 75 -10.275 4.970 -7.011 560 HD2 PHE 75 HD2 PHE 75 -9.131 1.688 -4.461 561 HE1 PHE 75 HE1 PHE 75 -10.760 6.354 -5.006 562 HE2 PHE 75 HE2 PHE 75 -9.646 3.059 -2.460 563 HZ PHE 75 HZ PHE 75 -10.459 5.398 -2.729 564 H GLN 76 H GLN 76 -11.849 -0.101 -8.756 565 HA GLN 76 HA GLN 76 -11.593 -1.776 -10.127 566 HB2 GLN 76 2HB GLN 76 -11.967 -1.386 -12.282 567 HB3 GLN 76 3HB GLN 76 -12.374 0.179 -11.588 568 HG2 GLN 76 2HG GLN 76 -10.060 0.980 -12.256 569 HG3 GLN 76 3HG GLN 76 -9.796 -0.590 -13.010 570 HE21 GLN 76 1HE2 GLN 76 -11.248 -1.192 -14.873 571 HE22 GLN 76 2HE2 GLN 76 -11.949 0.116 -15.816 572 H VAL 77 H VAL 77 -8.687 -0.356 -9.352 573 HA VAL 77 HA VAL 77 -6.944 -2.119 -10.878 574 HB VAL 77 HB VAL 77 -5.135 -1.113 -9.514 575 HG11 VAL 77 1HG1 VAL 77 -5.389 1.141 -10.590 576 HG12 VAL 77 2HG1 VAL 77 -5.734 -0.207 -11.685 577 HG13 VAL 77 3HG1 VAL 77 -7.058 0.746 -10.984 578 HG21 VAL 77 3HG2 VAL 77 -7.269 0.787 -8.448 579 HG22 VAL 77 1HG2 VAL 77 -6.514 -0.492 -7.478 580 HG23 VAL 77 2HG2 VAL 77 -5.530 0.826 -8.127 581 H VAL 78 H VAL 78 -8.462 -3.846 -10.048 582 HA VAL 78 HA VAL 78 -7.958 -4.933 -7.424 583 HB VAL 78 HB VAL 78 -10.092 -4.905 -8.775 584 HG11 VAL 78 1HG1 VAL 78 -10.605 -6.759 -10.240 585 HG12 VAL 78 2HG1 VAL 78 -9.211 -5.873 -10.878 586 HG13 VAL 78 3HG1 VAL 78 -8.974 -7.429 -10.048 587 HG21 VAL 78 3HG2 VAL 78 -9.370 -7.567 -7.513 588 HG22 VAL 78 1HG2 VAL 78 -9.893 -6.108 -6.643 589 HG23 VAL 78 2HG2 VAL 78 -10.994 -6.907 -7.773 590 H SER 79 H SER 79 -6.120 -5.113 -10.142 591 HA SER 79 HA SER 79 -4.951 -7.699 -10.183 592 HB2 SER 79 2HB SER 79 -3.577 -5.019 -10.625 593 HB3 SER 79 3HB SER 79 -3.050 -6.595 -11.244 594 HG SER 79 HG SER 79 -4.919 -6.668 -12.536 595 H ILE 80 H ILE 80 -2.808 -8.383 -9.358 596 HA ILE 80 HA ILE 80 -2.301 -7.340 -6.619 597 HB ILE 80 HB ILE 80 -2.734 -10.278 -7.303 598 HG12 ILE 80 2HG1 ILE 80 -4.756 -8.455 -5.935 599 HG13 ILE 80 3HG1 ILE 80 -4.878 -9.036 -7.597 600 HG21 ILE 80 1HG2 ILE 80 -1.325 -9.868 -5.317 601 HG22 ILE 80 2HG2 ILE 80 -2.606 -8.856 -4.604 602 HG23 ILE 80 3HG2 ILE 80 -2.838 -10.600 -4.855 603 HD11 ILE 80 3HD1 ILE 80 -5.010 -10.809 -5.156 604 HD12 ILE 80 1HD1 ILE 80 -6.305 -10.387 -6.286 605 HD13 ILE 80 2HD1 ILE 80 -4.936 -11.364 -6.848 606 HA PRO 81 HA PRO 81 -0.850 -7.196 -5.017 607 HB2 PRO 81 2HB PRO 81 1.550 -6.012 -4.452 608 HB3 PRO 81 3HB PRO 81 1.157 -7.677 -3.955 609 HG2 PRO 81 2HG PRO 81 2.733 -6.781 -6.382 610 HG3 PRO 81 3HG PRO 81 3.152 -8.063 -5.202 611 HD2 PRO 81 2HD PRO 81 1.986 -8.664 -7.585 612 HD3 PRO 81 3HD PRO 81 1.535 -9.539 -6.090 613 H THR 82 H THR 82 -1.510 -5.040 -4.985 614 HA THR 82 HA THR 82 -0.342 -3.170 -7.022 615 HB THR 82 HB THR 82 -3.250 -3.307 -6.192 616 HG1 THR 82 HG1 THR 82 -3.075 -4.509 -7.892 617 HG21 THR 82 3HG2 THR 82 -3.546 -1.365 -7.718 618 HG22 THR 82 1HG2 THR 82 -1.778 -1.190 -7.824 619 HG23 THR 82 2HG2 THR 82 -2.625 -0.930 -6.278 620 H LEU 83 H LEU 83 0.723 -1.609 -6.155 621 HA LEU 83 HA LEU 83 0.217 -0.707 -3.351 622 HB2 LEU 83 2HB LEU 83 2.610 -0.491 -5.201 623 HB3 LEU 83 3HB LEU 83 2.430 0.484 -3.755 624 HG LEU 83 HG LEU 83 2.457 -1.521 -2.334 625 HD11 LEU 83 1HD1 LEU 83 1.621 -3.305 -3.759 626 HD12 LEU 83 2HD1 LEU 83 3.269 -3.693 -3.298 627 HD13 LEU 83 3HD1 LEU 83 2.944 -3.057 -4.927 628 HD21 LEU 83 3HD2 LEU 83 4.768 -1.366 -4.321 629 HD22 LEU 83 1HD2 LEU 83 4.848 -2.040 -2.681 630 HD23 LEU 83 2HD2 LEU 83 4.537 -0.313 -2.910 631 H ILE 84 H ILE 84 -1.029 1.062 -3.232 632 HA ILE 84 HA ILE 84 -0.914 3.119 -5.403 633 HB ILE 84 HB ILE 84 -3.040 1.948 -5.502 634 HG12 ILE 84 2HG1 ILE 84 -4.604 3.924 -5.062 635 HG13 ILE 84 3HG1 ILE 84 -3.190 4.809 -4.489 636 HG21 ILE 84 1HG2 ILE 84 -3.277 1.126 -3.220 637 HG22 ILE 84 2HG2 ILE 84 -3.501 2.783 -2.622 638 HG23 ILE 84 3HG2 ILE 84 -4.697 2.051 -3.702 639 HD11 ILE 84 3HD1 ILE 84 -2.130 4.481 -6.729 640 HD12 ILE 84 1HD1 ILE 84 -3.578 3.603 -7.263 641 HD13 ILE 84 2HD1 ILE 84 -3.684 5.322 -6.835 642 H LEU 85 H LEU 85 -0.185 4.975 -4.853 643 HA LEU 85 HA LEU 85 0.287 5.615 -1.981 644 HB2 LEU 85 2HB LEU 85 2.234 5.202 -3.548 645 HB3 LEU 85 3HB LEU 85 1.676 6.575 -4.497 646 HG LEU 85 HG LEU 85 2.006 8.015 -2.408 647 HD11 LEU 85 1HD1 LEU 85 3.672 5.647 -1.482 648 HD12 LEU 85 2HD1 LEU 85 2.131 6.138 -0.751 649 HD13 LEU 85 3HD1 LEU 85 3.515 7.230 -0.694 650 HD21 LEU 85 3HD2 LEU 85 4.489 8.077 -2.725 651 HD22 LEU 85 1HD2 LEU 85 3.610 8.035 -4.266 652 HD23 LEU 85 2HD2 LEU 85 4.390 6.566 -3.648 653 H PHE 86 H PHE 86 -0.773 7.268 -1.137 654 HA PHE 86 HA PHE 86 -2.038 9.342 -2.884 655 HB2 PHE 86 2HB PHE 86 -2.940 8.294 -0.181 656 HB3 PHE 86 3HB PHE 86 -3.610 9.704 -0.970 657 HD1 PHE 86 HD2 PHE 86 -3.169 5.997 -1.360 658 HD2 PHE 86 HD1 PHE 86 -5.420 9.499 -2.481 659 HE1 PHE 86 HE2 PHE 86 -4.840 4.573 -2.509 660 HE2 PHE 86 HE1 PHE 86 -7.063 8.069 -3.662 661 HZ PHE 86 HZ PHE 86 -6.761 5.595 -3.697 662 H LYS 87 H LYS 87 -1.977 11.495 -2.099 663 HA LYS 87 HA LYS 87 -0.260 12.141 0.218 664 HB2 LYS 87 2HB LYS 87 1.053 12.077 -1.987 665 HB3 LYS 87 3HB LYS 87 0.148 13.524 -2.448 666 HG2 LYS 87 2HG LYS 87 1.126 14.786 -0.616 667 HG3 LYS 87 3HG LYS 87 1.825 13.314 0.088 668 HD2 LYS 87 2HD LYS 87 3.158 12.989 -2.034 669 HD3 LYS 87 3HD LYS 87 2.585 14.554 -2.604 670 HE2 LYS 87 2HE LYS 87 4.191 14.083 -0.042 671 HE3 LYS 87 3HE LYS 87 4.902 14.511 -1.595 672 HZ1 LYS 87 3HZ LYS 87 4.576 16.484 -0.233 673 HZ2 LYS 87 1HZ LYS 87 2.972 16.216 -0.097 674 HZ3 LYS 87 2HZ LYS 87 3.624 16.590 -1.550 675 H ASP 88 H ASP 88 -1.264 13.653 1.441 676 HA ASP 88 HA ASP 88 -2.965 14.931 2.221 677 HB2 ASP 88 2HB ASP 88 -1.805 16.616 0.874 678 HB3 ASP 88 3HB ASP 88 -2.821 16.249 -0.506 679 H GLY 89 H GLY 89 -3.694 12.356 1.041 680 HA2 GLY 89 2HA GLY 89 -5.534 11.103 0.576 681 HA3 GLY 89 3HA GLY 89 -6.559 12.504 0.860 682 H GLN 90 H GLN 90 -4.333 13.241 -1.653 683 HA GLN 90 HA GLN 90 -6.241 12.403 -3.799 684 HB2 GLN 90 2HB GLN 90 -3.907 14.359 -3.811 685 HB3 GLN 90 3HB GLN 90 -4.722 13.787 -5.257 686 HG2 GLN 90 2HG GLN 90 -5.657 15.892 -4.787 687 HG3 GLN 90 3HG GLN 90 -6.891 14.697 -4.398 688 HE21 GLN 90 1HE2 GLN 90 -4.206 16.532 -2.772 689 HE22 GLN 90 2HE2 GLN 90 -5.117 16.842 -1.302 690 HA PRO 91 HA PRO 91 -3.311 9.087 -4.680 691 HB2 PRO 91 2HB PRO 91 -3.988 8.395 -7.238 692 HB3 PRO 91 3HB PRO 91 -4.985 7.988 -5.809 693 HG2 PRO 91 2HG PRO 91 -5.334 10.316 -7.724 694 HG3 PRO 91 3HG PRO 91 -6.583 9.181 -7.123 695 HD2 PRO 91 2HD PRO 91 -6.202 11.648 -6.015 696 HD3 PRO 91 3HD PRO 91 -6.658 10.236 -5.013 697 H VAL 92 H VAL 92 -1.236 9.038 -5.421 698 HA VAL 92 HA VAL 92 -0.347 11.111 -7.400 699 HB VAL 92 HB VAL 92 1.729 11.380 -6.105 700 HG11 VAL 92 1HG1 VAL 92 0.848 12.958 -4.550 701 HG12 VAL 92 2HG1 VAL 92 -0.178 12.977 -5.988 702 HG13 VAL 92 3HG1 VAL 92 -0.741 12.152 -4.519 703 HG21 VAL 92 3HG2 VAL 92 0.295 10.031 -3.792 704 HG22 VAL 92 1HG2 VAL 92 1.608 9.287 -4.728 705 HG23 VAL 92 2HG2 VAL 92 1.912 10.756 -3.793 706 H LYS 93 H LYS 93 0.122 7.752 -6.336 707 HA LYS 93 HA LYS 93 1.379 7.207 -8.926 708 HB2 LYS 93 2HB LYS 93 3.341 7.895 -7.621 709 HB3 LYS 93 3HB LYS 93 2.945 6.749 -6.341 710 HG2 LYS 93 2HG LYS 93 3.337 4.852 -7.813 711 HG3 LYS 93 3HG LYS 93 3.567 5.918 -9.208 712 HD2 LYS 93 2HD LYS 93 5.349 5.869 -6.728 713 HD3 LYS 93 3HD LYS 93 5.658 4.983 -8.230 714 HE2 LYS 93 2HE LYS 93 5.585 7.184 -9.478 715 HE3 LYS 93 3HE LYS 93 5.485 8.012 -7.916 716 HZ1 LYS 93 3HZ LYS 93 7.754 7.913 -8.635 717 HZ2 LYS 93 1HZ LYS 93 7.690 6.247 -8.817 718 HZ3 LYS 93 2HZ LYS 93 7.595 6.942 -7.321 719 H ARG 94 H ARG 94 1.214 5.073 -9.546 720 HA ARG 94 HA ARG 94 0.299 3.061 -7.557 721 HB2 ARG 94 2HB ARG 94 -1.619 3.838 -9.035 722 HB3 ARG 94 3HB ARG 94 -0.739 3.159 -10.409 723 HG2 ARG 94 2HG ARG 94 -0.787 0.905 -9.276 724 HG3 ARG 94 3HG ARG 94 -1.661 1.635 -7.922 725 HD2 ARG 94 2HD ARG 94 -3.232 0.505 -9.329 726 HD3 ARG 94 3HD ARG 94 -3.514 2.235 -9.483 727 HE ARG 94 HE ARG 94 -2.217 0.417 -11.492 728 HH11 ARG 94 1HH2 ARG 94 -3.687 3.560 -10.932 729 HH12 ARG 94 2HH2 ARG 94 -3.739 3.923 -12.633 730 HH21 ARG 94 1HH1 ARG 94 -2.316 0.963 -13.630 731 HH22 ARG 94 2HH1 ARG 94 -2.985 2.494 -14.108 732 H ILE 95 H ILE 95 1.232 1.131 -7.668 733 HA ILE 95 HA ILE 95 2.963 0.371 -9.969 734 HB ILE 95 HB ILE 95 3.689 -0.290 -7.092 735 HG12 ILE 95 2HG1 ILE 95 5.718 1.342 -7.671 736 HG13 ILE 95 3HG1 ILE 95 4.523 2.152 -8.670 737 HG21 ILE 95 1HG2 ILE 95 4.554 -1.814 -8.806 738 HG22 ILE 95 2HG2 ILE 95 5.243 -0.431 -9.696 739 HG23 ILE 95 3HG2 ILE 95 5.851 -0.882 -8.080 740 HD11 ILE 95 3HD1 ILE 95 4.740 3.135 -6.397 741 HD12 ILE 95 1HD1 ILE 95 3.107 2.487 -6.610 742 HD13 ILE 95 2HD1 ILE 95 4.309 1.581 -5.667 743 H VAL 96 H VAL 96 2.698 -1.803 -10.571 744 HA VAL 96 HA VAL 96 1.317 -3.619 -8.712 745 HB VAL 96 HB VAL 96 -0.565 -3.171 -9.937 746 HG11 VAL 96 1HG1 VAL 96 0.355 -1.848 -11.801 747 HG12 VAL 96 2HG1 VAL 96 1.061 -3.316 -12.521 748 HG13 VAL 96 3HG1 VAL 96 -0.702 -3.114 -12.426 749 HG21 VAL 96 3HG2 VAL 96 -0.221 -5.593 -9.798 750 HG22 VAL 96 1HG2 VAL 96 -1.129 -5.125 -11.236 751 HG23 VAL 96 2HG2 VAL 96 0.571 -5.582 -11.394 752 H GLY 97 H GLY 97 1.989 -5.662 -8.710 753 HA2 GLY 97 2HA GLY 97 3.481 -7.465 -9.231 754 HA3 GLY 97 3HA GLY 97 4.348 -6.453 -10.375 755 H ALA 98 H ALA 98 5.551 -8.021 -8.326 756 HA ALA 98 HA ALA 98 6.142 -6.404 -6.001 757 HB1 ALA 98 3HB ALA 98 6.015 -8.854 -5.922 758 HB2 ALA 98 1HB ALA 98 7.411 -8.981 -7.015 759 HB3 ALA 98 2HB ALA 98 7.609 -8.282 -5.394 760 H LYS 99 H LYS 99 7.948 -5.298 -5.442 761 HA LYS 99 HA LYS 99 10.285 -5.147 -7.280 762 HB2 LYS 99 2HB LYS 99 8.904 -2.741 -6.003 763 HB3 LYS 99 3HB LYS 99 10.466 -2.711 -6.816 764 HG2 LYS 99 2HG LYS 99 9.296 -3.652 -8.886 765 HG3 LYS 99 3HG LYS 99 7.761 -3.331 -8.064 766 HD2 LYS 99 2HD LYS 99 8.358 -0.905 -7.943 767 HD3 LYS 99 3HD LYS 99 9.889 -1.264 -8.773 768 HE2 LYS 99 2HE LYS 99 8.483 -2.329 -10.636 769 HE3 LYS 99 3HE LYS 99 7.064 -1.649 -9.863 770 HZ1 LYS 99 3HZ LYS 99 7.926 -0.202 -11.631 771 HZ2 LYS 99 1HZ LYS 99 9.360 -0.049 -10.881 772 HZ3 LYS 99 2HZ LYS 99 8.012 0.606 -10.224 773 H GLY 100 H GLY 100 12.282 -4.869 -6.259 774 HA2 GLY 100 2HA GLY 100 12.456 -5.773 -3.468 775 HA3 GLY 100 3HA GLY 100 13.783 -5.523 -4.601 776 H LYS 101 H LYS 101 14.076 -4.599 -2.072 777 HA LYS 101 HA LYS 101 13.179 -2.068 -1.351 778 HB2 LYS 101 2HB LYS 101 14.654 -3.730 -0.047 779 HB3 LYS 101 3HB LYS 101 16.026 -3.053 -0.891 780 HG2 LYS 101 2HG LYS 101 15.918 -2.045 1.252 781 HG3 LYS 101 3HG LYS 101 15.527 -0.802 0.067 782 HD2 LYS 101 2HD LYS 101 13.084 -1.119 0.579 783 HD3 LYS 101 3HD LYS 101 13.516 -2.336 1.785 784 HE2 LYS 101 2HE LYS 101 14.206 0.641 1.811 785 HE3 LYS 101 3HE LYS 101 13.025 -0.202 2.812 786 HZ1 LYS 101 3HZ LYS 101 14.999 0.063 4.111 787 HZ2 LYS 101 1HZ LYS 101 15.969 -0.532 2.937 788 HZ3 LYS 101 2HZ LYS 101 14.945 -1.540 3.710 789 H ALA 102 H ALA 102 15.765 -2.693 -3.589 790 HA ALA 102 HA ALA 102 16.727 0.039 -3.736 791 HB1 ALA 102 3HB ALA 102 18.080 -1.874 -4.477 792 HB2 ALA 102 1HB ALA 102 16.922 -2.220 -5.782 793 HB3 ALA 102 2HB ALA 102 17.860 -0.711 -5.798 794 H ALA 103 H ALA 103 14.464 -1.789 -5.823 795 HA ALA 103 HA ALA 103 13.812 0.481 -7.495 796 HB1 ALA 103 3HB ALA 103 12.636 -2.310 -7.241 797 HB2 ALA 103 1HB ALA 103 12.252 -1.138 -8.529 798 HB3 ALA 103 2HB ALA 103 13.895 -1.777 -8.371 799 H LEU 104 H LEU 104 12.078 -1.149 -4.753 800 HA LEU 104 HA LEU 104 9.804 0.601 -4.955 801 HB2 LEU 104 2HB LEU 104 9.758 -1.601 -3.810 802 HB3 LEU 104 3HB LEU 104 10.816 -0.967 -2.549 803 HG LEU 104 HG LEU 104 9.090 0.613 -1.828 804 HD11 LEU 104 1HD1 LEU 104 7.374 -0.526 -4.077 805 HD12 LEU 104 2HD1 LEU 104 7.955 1.152 -3.933 806 HD13 LEU 104 3HD1 LEU 104 6.790 0.534 -2.773 807 HD21 LEU 104 3HD2 LEU 104 7.342 -0.969 -1.067 808 HD22 LEU 104 1HD2 LEU 104 8.966 -1.608 -0.844 809 HD23 LEU 104 2HD2 LEU 104 7.967 -2.193 -2.195 810 H LEU 105 H LEU 105 12.951 0.900 -3.161 811 HA LEU 105 HA LEU 105 12.125 3.488 -2.165 812 HB2 LEU 105 2HB LEU 105 13.827 2.159 -0.992 813 HB3 LEU 105 3HB LEU 105 14.946 2.433 -2.332 814 HG LEU 105 HG LEU 105 14.916 4.877 -1.886 815 HD11 LEU 105 1HD1 LEU 105 12.666 5.224 -0.942 816 HD12 LEU 105 2HD1 LEU 105 13.883 5.740 0.218 817 HD13 LEU 105 3HD1 LEU 105 13.061 4.178 0.443 818 HD21 LEU 105 3HD2 LEU 105 16.101 4.840 0.231 819 HD22 LEU 105 1HD2 LEU 105 16.540 3.424 -0.734 820 HD23 LEU 105 2HD2 LEU 105 15.413 3.247 0.630 821 H ARG 106 H ARG 106 13.599 2.558 -5.358 822 HA ARG 106 HA ARG 106 14.065 5.338 -6.092 823 HB2 ARG 106 2HB ARG 106 12.951 3.168 -7.935 824 HB3 ARG 106 3HB ARG 106 13.580 4.728 -8.404 825 HG2 ARG 106 2HG ARG 106 15.113 2.293 -7.534 826 HG3 ARG 106 3HG ARG 106 15.219 3.231 -9.001 827 HD2 ARG 106 2HD ARG 106 17.161 3.833 -7.918 828 HD3 ARG 106 3HD ARG 106 16.077 5.167 -7.491 829 HE ARG 106 HE ARG 106 16.066 2.932 -5.584 830 HH11 ARG 106 2HH2 ARG 106 17.806 5.922 -6.343 831 HH12 ARG 106 1HH2 ARG 106 18.374 6.033 -4.670 832 HH21 ARG 106 1HH1 ARG 106 16.984 3.235 -3.518 833 HH22 ARG 106 2HH1 ARG 106 17.950 4.695 -3.260 834 H GLU 107 H GLU 107 11.191 3.312 -6.426 835 HA GLU 107 HA GLU 107 9.443 5.238 -7.462 836 HB2 GLU 107 2HB GLU 107 8.907 2.740 -5.848 837 HB3 GLU 107 3HB GLU 107 7.625 3.675 -6.613 838 HG2 GLU 107 2HG GLU 107 9.994 2.638 -8.225 839 HG3 GLU 107 3HG GLU 107 8.601 1.647 -7.841 840 H LEU 108 H LEU 108 10.143 4.547 -4.056 841 HA LEU 108 HA LEU 108 8.201 6.592 -3.150 842 HB2 LEU 108 2HB LEU 108 10.006 4.684 -1.631 843 HB3 LEU 108 3HB LEU 108 8.822 5.765 -0.898 844 HG LEU 108 HG LEU 108 8.132 3.545 -2.870 845 HD11 LEU 108 1HD1 LEU 108 7.330 2.337 -0.899 846 HD12 LEU 108 2HD1 LEU 108 7.821 3.699 0.143 847 HD13 LEU 108 3HD1 LEU 108 9.042 2.733 -0.716 848 HD21 LEU 108 3HD2 LEU 108 6.335 5.283 -1.129 849 HD22 LEU 108 1HD2 LEU 108 5.815 3.887 -2.101 850 HD23 LEU 108 2HD2 LEU 108 6.439 5.322 -2.904 851 H SER 109 H SER 109 11.749 6.291 -3.397 852 HA SER 109 HA SER 109 12.411 8.597 -1.858 853 HB2 SER 109 2HB SER 109 14.122 7.046 -2.600 854 HB3 SER 109 3HB SER 109 13.843 7.522 -4.295 855 HG SER 109 HG SER 109 14.925 8.981 -2.130 856 H ASP 110 H ASP 110 11.278 8.153 -5.211 857 HA ASP 110 HA ASP 110 11.295 10.788 -6.197 858 HB2 ASP 110 2HB ASP 110 10.692 8.630 -7.335 859 HB3 ASP 110 3HB ASP 110 9.153 8.656 -6.476 860 H VAL 111 H VAL 111 9.376 9.620 -3.502 861 HA VAL 111 HA VAL 111 7.872 12.192 -3.303 862 HB VAL 111 HB VAL 111 7.140 9.343 -2.518 863 HG11 VAL 111 1HG1 VAL 111 5.001 10.267 -1.647 864 HG12 VAL 111 2HG1 VAL 111 6.393 10.683 -0.649 865 HG13 VAL 111 3HG1 VAL 111 5.694 11.904 -1.746 866 HG21 VAL 111 3HG2 VAL 111 5.882 11.462 -4.328 867 HG22 VAL 111 1HG2 VAL 111 6.652 9.945 -4.843 868 HG23 VAL 111 2HG2 VAL 111 5.133 9.906 -3.950 869 H VAL 112 H VAL 112 10.209 10.126 -1.829 870 HA VAL 112 HA VAL 112 10.210 11.641 0.757 871 HB VAL 112 HB VAL 112 10.939 8.726 0.238 872 HG11 VAL 112 1HG1 VAL 112 10.941 8.634 2.764 873 HG12 VAL 112 2HG1 VAL 112 12.264 9.574 2.088 874 HG13 VAL 112 3HG1 VAL 112 10.856 10.410 2.776 875 HG21 VAL 112 3HG2 VAL 112 8.523 9.972 1.624 876 HG22 VAL 112 1HG2 VAL 112 8.504 9.021 0.127 877 HG23 VAL 112 2HG2 VAL 112 8.949 8.245 1.644 878 HA PRO 113 HA PRO 113 14.290 12.638 -1.101 879 HB2 PRO 113 2HB PRO 113 13.857 15.023 0.692 880 HB3 PRO 113 3HB PRO 113 14.537 14.964 -0.964 881 HG2 PRO 113 2HG PRO 113 11.996 15.804 -0.575 882 HG3 PRO 113 3HG PRO 113 12.358 14.669 -1.920 883 HD2 PRO 113 2HD PRO 113 11.271 14.014 0.841 884 HD3 PRO 113 3HD PRO 113 10.685 13.488 -0.766 885 H ASN 114 H ASN 114 13.203 11.908 2.044 886 HA ASN 114 HA ASN 114 15.419 12.596 3.665 887 HB2 ASN 114 2HB ASN 114 13.032 11.954 4.320 888 HB3 ASN 114 3HB ASN 114 13.495 10.269 4.083 889 HD21 ASN 114 1HD2 ASN 114 12.649 10.377 6.406 890 HD22 ASN 114 2HD2 ASN 114 13.885 10.671 7.639 891 H LEU 115 H LEU 115 15.029 9.807 1.515 892 HA LEU 115 HA LEU 115 17.896 9.373 1.736 893 HB2 LEU 115 2HB LEU 115 16.985 7.762 3.410 894 HB3 LEU 115 3HB LEU 115 15.976 7.044 2.155 895 HG LEU 115 HG LEU 115 18.023 6.320 0.928 896 HD11 LEU 115 1HD1 LEU 115 19.663 8.012 1.671 897 HD12 LEU 115 2HD1 LEU 115 20.221 6.396 2.095 898 HD13 LEU 115 3HD1 LEU 115 19.513 7.441 3.346 899 HD21 LEU 115 3HD2 LEU 115 18.693 4.564 2.469 900 HD22 LEU 115 1HD2 LEU 115 16.948 4.836 2.593 901 HD23 LEU 115 2HD2 LEU 115 18.041 5.477 3.847 902 H ASN 116 H ASN 116 18.806 8.678 -0.156 903 HA ASN 116 HA ASN 116 17.137 7.701 -2.388 904 HB2 ASN 116 2HB ASN 116 17.317 10.191 -2.650 905 HB3 ASN 116 3HB ASN 116 19.076 10.047 -2.655 906 HD21 ASN 116 1HD2 ASN 116 16.123 9.023 -4.367 907 HD22 ASN 116 2HD2 ASN 116 16.904 8.900 -5.949
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