NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
478193 | 2kya | 16943 | 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 1HT MET 1 23.905 -7.036 -1.133 2 H2 MET 1 2HT MET 1 22.853 -6.549 0.098 3 H3 MET 1 3HT MET 1 24.485 -6.110 0.159 4 HA MET 1 HA MET 1 23.130 -4.247 -0.514 5 HB2 MET 1 2HB MET 1 24.893 -5.408 -2.678 6 HB3 MET 1 1HB MET 1 24.312 -3.749 -2.664 7 HG2 MET 1 2HG MET 1 25.491 -3.339 -0.576 8 HG3 MET 1 1HG MET 1 26.052 -5.010 -0.555 9 HE1 MET 1 2HE MET 1 26.783 -5.615 -3.534 10 HE2 MET 1 3HE MET 1 27.855 -6.000 -2.187 11 HE3 MET 1 1HE MET 1 28.481 -5.140 -3.593 12 H ASN 2 H ASN 2 20.911 -4.843 -0.647 13 HA ASN 2 HA ASN 2 19.996 -5.106 -3.416 14 HB2 ASN 2 2HB ASN 2 18.893 -6.741 -1.119 15 HB3 ASN 2 1HB ASN 2 18.270 -6.728 -2.767 16 HD21 ASN 2 1HD2 ASN 2 20.823 -7.780 -0.673 17 HD22 ASN 2 2HD2 ASN 2 21.551 -8.890 -1.779 18 H LYS 3 H LYS 3 18.036 -4.098 -3.863 19 HA LYS 3 HA LYS 3 16.764 -2.636 -1.659 20 HB2 LYS 3 2HB LYS 3 16.591 -0.638 -3.117 21 HB3 LYS 3 1HB LYS 3 18.252 -1.053 -2.717 22 HG2 LYS 3 2HG LYS 3 18.566 -2.053 -4.895 23 HG3 LYS 3 1HG LYS 3 16.875 -1.754 -5.301 24 HD2 LYS 3 2HD LYS 3 17.276 0.669 -5.064 25 HD3 LYS 3 1HD LYS 3 18.978 0.335 -4.734 26 HE2 LYS 3 2HE LYS 3 19.201 -0.700 -6.939 27 HE3 LYS 3 1HE LYS 3 17.500 -0.374 -7.267 28 HZ1 LYS 3 3HZ LYS 3 19.575 1.690 -6.760 29 HZ2 LYS 3 1HZ LYS 3 17.948 1.986 -7.118 30 HZ3 LYS 3 2HZ LYS 3 18.955 1.278 -8.278 31 H LYS 4 H LYS 4 15.789 -4.983 -2.709 32 HA LYS 4 HA LYS 4 13.769 -4.323 -4.688 33 HB2 LYS 4 2HB LYS 4 14.592 -6.878 -3.328 34 HB3 LYS 4 1HB LYS 4 13.122 -6.783 -4.288 35 HG2 LYS 4 2HG LYS 4 14.828 -7.663 -5.679 36 HG3 LYS 4 1HG LYS 4 14.525 -6.008 -6.208 37 HD2 LYS 4 2HD LYS 4 16.483 -5.256 -4.930 38 HD3 LYS 4 1HD LYS 4 16.789 -6.921 -4.431 39 HE2 LYS 4 2HE LYS 4 18.228 -6.314 -6.290 40 HE3 LYS 4 1HE LYS 4 17.082 -7.560 -6.781 41 HZ1 LYS 4 3HZ LYS 4 15.731 -5.872 -7.835 42 HZ2 LYS 4 1HZ LYS 4 17.306 -5.815 -8.449 43 HZ3 LYS 4 2HZ LYS 4 16.793 -4.655 -7.331 44 H ASN 5 H ASN 5 13.949 -5.276 -1.285 45 HA ASN 5 HA ASN 5 11.097 -4.594 -1.007 46 HB2 ASN 5 2HB ASN 5 11.074 -6.018 0.983 47 HB3 ASN 5 1HB ASN 5 11.637 -6.925 -0.418 48 HD21 ASN 5 1HD2 ASN 5 13.800 -7.528 -0.549 49 HD22 ASN 5 2HD2 ASN 5 14.839 -7.513 0.831 50 H ILE 6 H ILE 6 14.252 -3.636 -0.242 51 HA ILE 6 HA ILE 6 13.518 -2.189 2.169 52 HB ILE 6 HB ILE 6 16.146 -2.188 0.683 53 HG12 ILE 6 2HG1 ILE 6 15.342 -3.790 3.121 54 HG13 ILE 6 1HG1 ILE 6 15.456 -4.445 1.490 55 HG21 ILE 6 1HG2 ILE 6 15.437 -1.311 3.479 56 HG22 ILE 6 2HG2 ILE 6 15.853 -0.256 2.128 57 HG23 ILE 6 3HG2 ILE 6 17.063 -1.351 2.797 58 HD11 ILE 6 3HD1 ILE 6 17.842 -3.917 1.453 59 HD12 ILE 6 1HD1 ILE 6 17.426 -4.992 2.788 60 HD13 ILE 6 2HD1 ILE 6 17.721 -3.281 3.094 61 H LEU 7 H LEU 7 12.117 -0.574 1.540 62 HA LEU 7 HA LEU 7 12.552 1.106 -0.709 63 HB2 LEU 7 2HB LEU 7 10.805 1.389 1.732 64 HB3 LEU 7 1HB LEU 7 10.837 2.582 0.447 65 HG LEU 7 HG LEU 7 10.217 0.651 -1.125 66 HD11 LEU 7 1HD1 LEU 7 9.012 -1.200 -0.068 67 HD12 LEU 7 2HD1 LEU 7 9.495 -0.602 1.520 68 HD13 LEU 7 3HD1 LEU 7 10.716 -1.183 0.387 69 HD21 LEU 7 3HD2 LEU 7 8.263 1.594 0.968 70 HD22 LEU 7 1HD2 LEU 7 7.837 0.886 -0.590 71 HD23 LEU 7 2HD2 LEU 7 8.680 2.434 -0.526 72 HA PRO 8 HA PRO 8 15.330 4.023 1.081 73 HB2 PRO 8 2HB PRO 8 14.965 6.138 -0.532 74 HB3 PRO 8 1HB PRO 8 15.785 4.663 -1.045 75 HG2 PRO 8 2HG PRO 8 13.104 5.655 -1.711 76 HG3 PRO 8 1HG PRO 8 14.165 4.570 -2.609 77 HD2 PRO 8 2HD PRO 8 11.929 3.866 -1.019 78 HD3 PRO 8 1HD PRO 8 13.086 2.770 -1.796 79 H GLN 9 H GLN 9 14.923 6.872 0.902 80 HA GLN 9 HA GLN 9 13.580 7.295 3.340 81 HB2 GLN 9 2HB GLN 9 14.540 9.293 1.297 82 HB3 GLN 9 1HB GLN 9 14.055 9.676 2.937 83 HG2 GLN 9 2HG GLN 9 16.365 7.912 2.175 84 HG3 GLN 9 1HG GLN 9 16.484 9.595 2.685 85 HE21 GLN 9 1HE2 GLN 9 14.366 9.307 4.673 86 HE22 GLN 9 2HE2 GLN 9 15.062 8.432 5.990 87 H GLN 10 H GLN 10 12.308 6.595 0.552 88 HA GLN 10 HA GLN 10 10.262 8.540 0.209 89 HB2 GLN 10 2HB GLN 10 10.594 5.743 -0.842 90 HB3 GLN 10 1HB GLN 10 9.226 6.767 -1.257 91 HG2 GLN 10 2HG GLN 10 12.128 7.255 -1.862 92 HG3 GLN 10 1HG GLN 10 10.825 6.927 -2.998 93 HE21 GLN 10 1HE2 GLN 10 12.674 9.181 -2.866 94 HE22 GLN 10 2HE2 GLN 10 11.691 10.597 -2.750 95 H GLY 11 H GLY 11 9.605 5.097 0.767 96 HA2 GLY 11 2HA GLY 11 8.197 4.048 2.263 97 HA3 GLY 11 1HA GLY 11 8.263 5.500 3.246 98 H GLN 12 H GLN 12 7.377 6.263 0.145 99 HA GLN 12 HA GLN 12 4.843 7.142 0.825 100 HB2 GLN 12 2HB GLN 12 6.534 7.092 -1.505 101 HB3 GLN 12 1HB GLN 12 4.850 6.868 -1.926 102 HG2 GLN 12 2HG GLN 12 4.283 8.919 -0.705 103 HG3 GLN 12 1HG GLN 12 5.990 9.138 -0.325 104 HE21 GLN 12 1HE2 GLN 12 6.063 11.119 -1.378 105 HE22 GLN 12 2HE2 GLN 12 6.039 11.249 -3.100 106 HA PRO 13 HA PRO 13 3.126 3.283 -1.538 107 HB2 PRO 13 2HB PRO 13 5.330 1.348 -1.468 108 HB3 PRO 13 1HB PRO 13 4.384 1.911 -2.849 109 HG2 PRO 13 2HG PRO 13 6.970 2.598 -2.533 110 HG3 PRO 13 1HG PRO 13 5.786 3.712 -3.245 111 HD2 PRO 13 2HD PRO 13 6.833 3.619 -0.430 112 HD3 PRO 13 1HD PRO 13 6.619 5.035 -1.485 113 H VAL 14 H VAL 14 4.979 3.347 1.285 114 HA VAL 14 HA VAL 14 3.972 0.891 2.414 115 HB VAL 14 HB VAL 14 5.328 3.217 3.800 116 HG11 VAL 14 1HG1 VAL 14 4.102 1.812 5.350 117 HG12 VAL 14 2HG1 VAL 14 5.836 1.570 5.555 118 HG13 VAL 14 3HG1 VAL 14 4.875 0.371 4.690 119 HG21 VAL 14 3HG2 VAL 14 6.504 0.663 2.707 120 HG22 VAL 14 1HG2 VAL 14 7.371 1.863 3.666 121 HG23 VAL 14 2HG2 VAL 14 6.758 2.287 2.067 122 H ILE 15 H ILE 15 2.954 4.134 2.056 123 HA ILE 15 HA ILE 15 0.991 3.977 4.199 124 HB ILE 15 HB ILE 15 1.185 6.241 2.246 125 HG12 ILE 15 2HG1 ILE 15 3.489 5.766 2.993 126 HG13 ILE 15 1HG1 ILE 15 2.904 7.303 3.609 127 HG21 ILE 15 1HG2 ILE 15 0.470 7.557 4.188 128 HG22 ILE 15 2HG2 ILE 15 0.470 6.092 5.170 129 HG23 ILE 15 3HG2 ILE 15 -0.657 6.252 3.823 130 HD11 ILE 15 3HD1 ILE 15 4.165 6.086 5.289 131 HD12 ILE 15 1HD1 ILE 15 3.049 4.727 5.156 132 HD13 ILE 15 2HD1 ILE 15 2.480 6.277 5.778 133 H ARG 16 H ARG 16 1.285 3.670 0.801 134 HA ARG 16 HA ARG 16 -1.521 3.904 0.204 135 HB2 ARG 16 2HB ARG 16 0.342 2.489 -1.635 136 HB3 ARG 16 1HB ARG 16 -0.927 3.642 -2.007 137 HG2 ARG 16 2HG ARG 16 0.520 5.427 -1.042 138 HG3 ARG 16 1HG ARG 16 1.801 4.217 -0.925 139 HD2 ARG 16 2HD ARG 16 0.406 5.133 -3.434 140 HD3 ARG 16 1HD ARG 16 2.062 5.509 -2.960 141 HE ARG 16 HE ARG 16 2.300 2.932 -3.064 142 HH11 ARG 16 1HH1 ARG 16 0.352 4.904 -5.176 143 HH12 ARG 16 2HH1 ARG 16 0.487 3.823 -6.522 144 HH21 ARG 16 1HH2 ARG 16 2.484 1.503 -4.833 145 HH22 ARG 16 2HH2 ARG 16 1.697 1.891 -6.327 146 H LEU 17 H LEU 17 0.852 1.381 0.559 147 HA LEU 17 HA LEU 17 -0.809 -0.830 -0.009 148 HB2 LEU 17 2HB LEU 17 1.729 -0.757 0.139 149 HB3 LEU 17 1HB LEU 17 1.540 -0.832 1.877 150 HG LEU 17 HG LEU 17 0.358 -3.006 1.616 151 HD11 LEU 17 1HD1 LEU 17 -0.442 -2.723 -0.665 152 HD12 LEU 17 2HD1 LEU 17 0.532 -4.186 -0.519 153 HD13 LEU 17 3HD1 LEU 17 1.217 -2.741 -1.262 154 HD21 LEU 17 3HD2 LEU 17 2.362 -4.301 1.173 155 HD22 LEU 17 1HD2 LEU 17 2.755 -2.876 2.135 156 HD23 LEU 17 2HD2 LEU 17 3.120 -2.904 0.410 157 H THR 18 H THR 18 0.030 0.770 3.039 158 HA THR 18 HA THR 18 -1.220 -0.949 4.809 159 HB THR 18 HB THR 18 -0.915 2.052 4.951 160 HG1 THR 18 1HG THR 18 0.864 1.410 6.341 161 HG21 THR 18 3HG2 THR 18 -1.613 0.069 7.109 162 HG22 THR 18 1HG2 THR 18 -2.647 1.351 6.484 163 HG23 THR 18 2HG2 THR 18 -1.188 1.758 7.386 164 H ALA 19 H ALA 19 -2.601 2.209 3.911 165 HA ALA 19 HA ALA 19 -5.217 1.495 4.652 166 HB1 ALA 19 1HB ALA 19 -4.327 3.705 2.803 167 HB2 ALA 19 2HB ALA 19 -4.464 3.820 4.558 168 HB3 ALA 19 3HB ALA 19 -5.907 3.574 3.576 169 H GLY 20 H GLY 20 -3.383 0.711 1.941 170 HA2 GLY 20 2HA GLY 20 -5.452 0.520 0.021 171 HA3 GLY 20 1HA GLY 20 -3.869 -0.210 -0.104 172 H GLN 21 H GLN 21 -3.915 -1.781 2.171 173 HA GLN 21 HA GLN 21 -5.230 -4.089 1.238 174 HB2 GLN 21 2HB GLN 21 -3.214 -4.069 2.712 175 HB3 GLN 21 1HB GLN 21 -4.241 -3.565 4.046 176 HG2 GLN 21 2HG GLN 21 -5.523 -5.637 3.837 177 HG3 GLN 21 1HG GLN 21 -4.481 -6.143 2.509 178 HE21 GLN 21 1HE2 GLN 21 -2.089 -5.020 3.768 179 HE22 GLN 21 2HE2 GLN 21 -1.672 -6.104 5.046 180 H LEU 22 H LEU 22 -6.032 -1.813 3.831 181 HA LEU 22 HA LEU 22 -8.371 -3.184 4.680 182 HB2 LEU 22 2HB LEU 22 -7.351 -0.381 5.078 183 HB3 LEU 22 1HB LEU 22 -8.900 -0.894 5.710 184 HG LEU 22 HG LEU 22 -7.247 -0.999 7.460 185 HD11 LEU 22 1HD1 LEU 22 -7.457 -3.335 8.132 186 HD12 LEU 22 2HD1 LEU 22 -7.953 -3.766 6.496 187 HD13 LEU 22 3HD1 LEU 22 -8.974 -2.716 7.479 188 HD21 LEU 22 3HD2 LEU 22 -5.712 -2.870 5.661 189 HD22 LEU 22 1HD2 LEU 22 -5.292 -2.445 7.320 190 HD23 LEU 22 2HD2 LEU 22 -5.256 -1.213 6.058 191 H SER 23 H SER 23 -7.808 -0.445 2.495 192 HA SER 23 HA SER 23 -10.544 -0.031 1.949 193 HB2 SER 23 2HB SER 23 -8.929 1.770 1.653 194 HB3 SER 23 1HB SER 23 -8.133 0.838 0.394 195 HG SER 23 HG SER 23 -10.806 1.776 0.308 196 H SER 24 H SER 24 -8.718 -2.555 1.266 197 HA SER 24 HA SER 24 -9.742 -3.069 -1.407 198 HB2 SER 24 2HB SER 24 -7.366 -3.594 -0.893 199 HB3 SER 24 1HB SER 24 -7.915 -4.767 0.299 200 HG SER 24 HG SER 24 -7.448 -5.747 -1.715 201 H GLN 25 H GLN 25 -9.898 -4.278 1.883 202 HA GLN 25 HA GLN 25 -11.600 -6.474 1.372 203 HB2 GLN 25 2HB GLN 25 -11.022 -4.893 3.878 204 HB3 GLN 25 1HB GLN 25 -12.076 -6.303 3.860 205 HG2 GLN 25 2HG GLN 25 -10.228 -7.682 3.073 206 HG3 GLN 25 1HG GLN 25 -9.171 -6.270 3.067 207 HE21 GLN 25 1HE2 GLN 25 -10.845 -8.597 5.023 208 HE22 GLN 25 2HE2 GLN 25 -10.042 -8.232 6.508 209 H LEU 26 H LEU 26 -12.150 -3.127 1.416 210 HA LEU 26 HA LEU 26 -14.992 -3.428 1.931 211 HB2 LEU 26 2HB LEU 26 -13.537 -0.853 1.412 212 HB3 LEU 26 1HB LEU 26 -15.097 -1.072 2.184 213 HG LEU 26 HG LEU 26 -12.550 -2.113 3.382 214 HD11 LEU 26 1HD1 LEU 26 -12.509 -0.123 4.791 215 HD12 LEU 26 2HD1 LEU 26 -13.886 0.539 3.910 216 HD13 LEU 26 3HD1 LEU 26 -12.342 0.308 3.089 217 HD21 LEU 26 3HD2 LEU 26 -14.607 -3.110 4.213 218 HD22 LEU 26 1HD2 LEU 26 -15.267 -1.508 4.542 219 HD23 LEU 26 2HD2 LEU 26 -13.869 -2.089 5.448 220 H ALA 27 H ALA 27 -12.713 -2.596 -0.576 221 HA ALA 27 HA ALA 27 -14.316 -1.499 -2.507 222 HB1 ALA 27 1HB ALA 27 -12.779 -2.436 -4.165 223 HB2 ALA 27 2HB ALA 27 -12.128 -3.531 -2.945 224 HB3 ALA 27 3HB ALA 27 -11.904 -1.790 -2.776 225 H GLU 28 H GLU 28 -13.778 -4.935 -1.864 226 HA GLU 28 HA GLU 28 -15.375 -6.035 -3.755 227 HB2 GLU 28 2HB GLU 28 -15.730 -7.906 -2.018 228 HB3 GLU 28 1HB GLU 28 -14.111 -7.579 -2.630 229 HG2 GLU 28 2HG GLU 28 -13.735 -6.137 -0.701 230 HG3 GLU 28 1HG GLU 28 -15.289 -6.632 -0.057 231 H LEU 29 H LEU 29 -16.259 -4.710 -0.649 232 HA LEU 29 HA LEU 29 -19.096 -5.176 -1.274 233 HB2 LEU 29 2HB LEU 29 -17.617 -4.948 1.326 234 HB3 LEU 29 1HB LEU 29 -19.332 -4.599 1.254 235 HG LEU 29 HG LEU 29 -18.964 -6.869 2.020 236 HD11 LEU 29 1HD1 LEU 29 -20.363 -8.063 0.429 237 HD12 LEU 29 2HD1 LEU 29 -20.056 -6.824 -0.789 238 HD13 LEU 29 3HD1 LEU 29 -20.951 -6.419 0.676 239 HD21 LEU 29 3HD2 LEU 29 -17.578 -7.336 -0.617 240 HD22 LEU 29 1HD2 LEU 29 -17.926 -8.554 0.610 241 HD23 LEU 29 2HD2 LEU 29 -16.790 -7.252 0.959 242 H SER 30 H SER 30 -17.729 -3.131 -2.516 243 HA SER 30 HA SER 30 -17.542 -0.675 -1.456 244 HB2 SER 30 2HB SER 30 -17.053 -1.130 -3.798 245 HB3 SER 30 1HB SER 30 -18.769 -1.355 -4.134 246 HG SER 30 HG SER 30 -17.331 0.933 -4.001 247 H GLU 31 H GLU 31 -18.822 0.754 -0.483 248 HA GLU 31 HA GLU 31 -21.520 0.165 0.114 249 HB2 GLU 31 2HB GLU 31 -19.995 2.761 0.402 250 HB3 GLU 31 1HB GLU 31 -21.565 2.430 1.120 251 HG2 GLU 31 2HG GLU 31 -19.965 2.126 2.823 252 HG3 GLU 31 1HG GLU 31 -20.491 0.516 2.337 253 H GLU 32 H GLU 32 -23.178 0.305 -1.226 254 HA GLU 32 HA GLU 32 -23.058 2.038 -3.555 255 HB2 GLU 32 2HB GLU 32 -25.163 0.057 -2.666 256 HB3 GLU 32 1HB GLU 32 -25.168 0.921 -4.197 257 HG2 GLU 32 2HG GLU 32 -23.171 -0.199 -4.904 258 HG3 GLU 32 1HG GLU 32 -22.987 -0.957 -3.323 259 H ALA 33 H ALA 33 -23.183 4.078 -2.522 260 HA ALA 33 HA ALA 33 -25.875 4.997 -2.133 261 HB1 ALA 33 1HB ALA 33 -25.584 5.856 0.127 262 HB2 ALA 33 2HB ALA 33 -23.975 5.138 0.207 263 HB3 ALA 33 3HB ALA 33 -25.399 4.102 0.098 264 H LEU 34 H LEU 34 -25.793 6.700 -3.444 265 HA LEU 34 HA LEU 34 -23.602 8.633 -3.073 266 HB2 LEU 34 2HB LEU 34 -24.953 7.891 -5.670 267 HB3 LEU 34 1HB LEU 34 -23.753 9.154 -5.477 268 HG LEU 34 HG LEU 34 -23.246 6.219 -4.980 269 HD11 LEU 34 1HD1 LEU 34 -21.970 6.289 -7.062 270 HD12 LEU 34 2HD1 LEU 34 -22.485 7.956 -7.323 271 HD13 LEU 34 3HD1 LEU 34 -23.674 6.653 -7.337 272 HD21 LEU 34 3HD2 LEU 34 -20.896 6.881 -4.920 273 HD22 LEU 34 1HD2 LEU 34 -21.818 7.693 -3.656 274 HD23 LEU 34 2HD2 LEU 34 -21.361 8.570 -5.116 Start of MODEL 2 1 H1 MET 1 1HT MET 1 9.382 17.421 13.036 2 H2 MET 1 2HT MET 1 9.542 15.757 12.776 3 H3 MET 1 3HT MET 1 10.326 16.852 11.753 4 HA MET 1 HA MET 1 11.734 17.597 13.534 5 HB2 MET 1 2HB MET 1 10.239 15.520 15.148 6 HB3 MET 1 1HB MET 1 11.684 16.361 15.692 7 HG2 MET 1 2HG MET 1 9.055 17.657 15.011 8 HG3 MET 1 1HG MET 1 9.647 17.319 16.636 9 HE1 MET 1 2HE MET 1 9.906 21.225 16.406 10 HE2 MET 1 3HE MET 1 9.311 19.868 17.362 11 HE3 MET 1 1HE MET 1 8.648 20.173 15.757 12 H ASN 2 H ASN 2 13.724 16.533 14.028 13 HA ASN 2 HA ASN 2 15.447 15.132 13.553 14 HB2 ASN 2 2HB ASN 2 13.256 13.049 13.664 15 HB3 ASN 2 1HB ASN 2 14.981 12.699 13.674 16 HD21 ASN 2 1HD2 ASN 2 12.923 12.114 15.658 17 HD22 ASN 2 2HD2 ASN 2 13.456 12.847 17.129 18 H LYS 3 H LYS 3 15.979 13.095 11.997 19 HA LYS 3 HA LYS 3 14.819 13.688 9.361 20 HB2 LYS 3 2HB LYS 3 17.116 13.393 8.404 21 HB3 LYS 3 1HB LYS 3 16.922 14.828 9.401 22 HG2 LYS 3 2HG LYS 3 17.956 13.591 11.289 23 HG3 LYS 3 1HG LYS 3 18.261 12.249 10.185 24 HD2 LYS 3 2HD LYS 3 19.639 13.694 8.786 25 HD3 LYS 3 1HD LYS 3 19.299 15.064 9.845 26 HE2 LYS 3 2HE LYS 3 21.487 14.125 10.337 27 HE3 LYS 3 1HE LYS 3 20.392 13.894 11.699 28 HZ1 LYS 3 3HZ LYS 3 21.129 11.846 9.678 29 HZ2 LYS 3 1HZ LYS 3 20.019 11.614 10.935 30 HZ3 LYS 3 2HZ LYS 3 21.649 11.896 11.287 31 H LYS 4 H LYS 4 13.849 11.628 10.787 32 HA LYS 4 HA LYS 4 14.911 9.302 9.348 33 HB2 LYS 4 2HB LYS 4 14.126 9.326 12.267 34 HB3 LYS 4 1HB LYS 4 14.552 7.893 11.344 35 HG2 LYS 4 2HG LYS 4 16.394 10.223 11.833 36 HG3 LYS 4 1HG LYS 4 16.387 8.727 12.767 37 HD2 LYS 4 2HD LYS 4 16.961 7.450 10.792 38 HD3 LYS 4 1HD LYS 4 16.858 8.902 9.791 39 HE2 LYS 4 2HE LYS 4 19.180 8.311 10.331 40 HE3 LYS 4 1HE LYS 4 18.727 9.888 10.980 41 HZ1 LYS 4 3HZ LYS 4 18.386 8.853 13.141 42 HZ2 LYS 4 1HZ LYS 4 19.968 8.603 12.596 43 HZ3 LYS 4 2HZ LYS 4 18.838 7.347 12.516 44 H ASN 5 H ASN 5 12.350 11.266 9.953 45 HA ASN 5 HA ASN 5 10.364 9.131 9.575 46 HB2 ASN 5 2HB ASN 5 10.019 10.633 11.523 47 HB3 ASN 5 1HB ASN 5 9.910 12.001 10.419 48 HD21 ASN 5 1HD2 ASN 5 8.100 12.218 9.100 49 HD22 ASN 5 2HD2 ASN 5 6.636 11.352 9.405 50 H ILE 6 H ILE 6 11.895 11.811 8.073 51 HA ILE 6 HA ILE 6 9.855 12.125 6.033 52 HB ILE 6 HB ILE 6 12.579 13.414 6.256 53 HG12 ILE 6 2HG1 ILE 6 9.853 14.546 6.924 54 HG13 ILE 6 1HG1 ILE 6 11.006 13.956 8.118 55 HG21 ILE 6 1HG2 ILE 6 11.705 15.020 4.619 56 HG22 ILE 6 2HG2 ILE 6 10.226 14.069 4.491 57 HG23 ILE 6 3HG2 ILE 6 11.764 13.382 3.970 58 HD11 ILE 6 3HD1 ILE 6 12.592 15.675 7.441 59 HD12 ILE 6 1HD1 ILE 6 11.057 16.378 7.947 60 HD13 ILE 6 2HD1 ILE 6 11.449 16.258 6.231 61 H LEU 7 H LEU 7 9.841 10.139 4.971 62 HA LEU 7 HA LEU 7 12.328 9.308 3.656 63 HB2 LEU 7 2HB LEU 7 9.731 7.877 4.188 64 HB3 LEU 7 1HB LEU 7 10.943 7.238 3.094 65 HG LEU 7 HG LEU 7 12.569 7.323 5.042 66 HD11 LEU 7 1HD1 LEU 7 11.581 7.314 7.282 67 HD12 LEU 7 2HD1 LEU 7 10.009 7.705 6.586 68 HD13 LEU 7 3HD1 LEU 7 11.338 8.857 6.467 69 HD21 LEU 7 3HD2 LEU 7 10.163 5.515 5.247 70 HD22 LEU 7 1HD2 LEU 7 11.736 5.228 5.991 71 HD23 LEU 7 2HD2 LEU 7 11.583 5.249 4.234 72 HA PRO 8 HA PRO 8 10.765 10.591 -0.270 73 HB2 PRO 8 2HB PRO 8 12.221 9.136 -1.948 74 HB3 PRO 8 1HB PRO 8 12.950 10.376 -0.922 75 HG2 PRO 8 2HG PRO 8 12.917 7.426 -0.593 76 HG3 PRO 8 1HG PRO 8 14.209 8.583 -0.259 77 HD2 PRO 8 2HD PRO 8 12.509 7.485 1.635 78 HD3 PRO 8 1HD PRO 8 13.462 8.964 1.853 79 H GLN 9 H GLN 9 10.825 8.781 -2.551 80 HA GLN 9 HA GLN 9 8.196 7.766 -2.345 81 HB2 GLN 9 2HB GLN 9 10.295 7.501 -4.483 82 HB3 GLN 9 1HB GLN 9 8.673 6.854 -4.643 83 HG2 GLN 9 2HG GLN 9 7.764 9.124 -4.365 84 HG3 GLN 9 1HG GLN 9 9.413 9.746 -4.297 85 HE21 GLN 9 1HE2 GLN 9 7.260 10.306 -6.196 86 HE22 GLN 9 2HE2 GLN 9 7.890 9.913 -7.757 87 H GLN 10 H GLN 10 10.825 6.637 -1.041 88 HA GLN 10 HA GLN 10 10.613 3.839 -1.698 89 HB2 GLN 10 2HB GLN 10 12.272 5.261 0.387 90 HB3 GLN 10 1HB GLN 10 12.378 3.545 0.023 91 HG2 GLN 10 2HG GLN 10 12.989 4.154 -2.315 92 HG3 GLN 10 1HG GLN 10 13.057 5.838 -1.797 93 HE21 GLN 10 1HE2 GLN 10 14.709 6.507 -0.425 94 HE22 GLN 10 2HE2 GLN 10 16.136 5.564 -0.177 95 H GLY 11 H GLY 11 9.727 5.972 0.959 96 HA2 GLY 11 2HA GLY 11 8.505 3.697 2.364 97 HA3 GLY 11 1HA GLY 11 8.887 5.251 3.084 98 H GLN 12 H GLN 12 7.606 5.839 0.132 99 HA GLN 12 HA GLN 12 5.217 6.874 1.168 100 HB2 GLN 12 2HB GLN 12 6.653 6.881 -1.353 101 HB3 GLN 12 1HB GLN 12 4.916 6.871 -1.556 102 HG2 GLN 12 2HG GLN 12 6.481 8.853 0.068 103 HG3 GLN 12 1HG GLN 12 5.818 9.136 -1.542 104 HE21 GLN 12 1HE2 GLN 12 5.095 8.738 1.833 105 HE22 GLN 12 2HE2 GLN 12 3.471 9.325 1.766 106 HA PRO 13 HA PRO 13 3.167 3.244 -1.420 107 HB2 PRO 13 2HB PRO 13 4.759 1.014 -1.539 108 HB3 PRO 13 1HB PRO 13 4.673 2.223 -2.827 109 HG2 PRO 13 2HG PRO 13 6.683 1.957 -0.615 110 HG3 PRO 13 1HG PRO 13 6.961 2.270 -2.341 111 HD2 PRO 13 2HD PRO 13 7.016 4.278 -0.562 112 HD3 PRO 13 1HD PRO 13 6.286 4.495 -2.165 113 H VAL 14 H VAL 14 5.036 3.207 1.404 114 HA VAL 14 HA VAL 14 3.928 0.834 2.572 115 HB VAL 14 HB VAL 14 5.198 3.107 4.089 116 HG11 VAL 14 1HG1 VAL 14 4.183 1.348 5.426 117 HG12 VAL 14 2HG1 VAL 14 5.939 1.305 5.579 118 HG13 VAL 14 3HG1 VAL 14 5.113 0.128 4.558 119 HG21 VAL 14 3HG2 VAL 14 7.373 2.112 3.680 120 HG22 VAL 14 1HG2 VAL 14 6.615 2.558 2.150 121 HG23 VAL 14 2HG2 VAL 14 6.640 0.870 2.665 122 H ILE 15 H ILE 15 2.954 4.094 2.194 123 HA ILE 15 HA ILE 15 0.959 3.917 4.321 124 HB ILE 15 HB ILE 15 1.474 6.253 2.494 125 HG12 ILE 15 2HG1 ILE 15 3.554 5.500 3.675 126 HG13 ILE 15 1HG1 ILE 15 3.037 7.126 4.088 127 HG21 ILE 15 1HG2 ILE 15 0.233 6.048 5.234 128 HG22 ILE 15 2HG2 ILE 15 -0.618 6.337 3.717 129 HG23 ILE 15 3HG2 ILE 15 0.502 7.546 4.342 130 HD11 ILE 15 3HD1 ILE 15 3.804 5.887 6.042 131 HD12 ILE 15 1HD1 ILE 15 2.567 4.663 5.752 132 HD13 ILE 15 2HD1 ILE 15 2.097 6.309 6.178 133 H ARG 16 H ARG 16 1.334 3.679 0.944 134 HA ARG 16 HA ARG 16 -1.449 4.104 0.289 135 HB2 ARG 16 2HB ARG 16 0.382 2.732 -1.604 136 HB3 ARG 16 1HB ARG 16 -0.802 3.991 -1.911 137 HG2 ARG 16 2HG ARG 16 0.731 5.602 -0.791 138 HG3 ARG 16 1HG ARG 16 1.930 4.309 -0.726 139 HD2 ARG 16 2HD ARG 16 0.670 5.480 -3.200 140 HD3 ARG 16 1HD ARG 16 2.330 5.722 -2.658 141 HE ARG 16 HE ARG 16 1.932 2.983 -2.940 142 HH11 ARG 16 1HH1 ARG 16 1.990 5.829 -4.950 143 HH12 ARG 16 2HH1 ARG 16 2.519 4.978 -6.363 144 HH21 ARG 16 1HH2 ARG 16 2.623 1.853 -4.796 145 HH22 ARG 16 2HH2 ARG 16 2.877 2.716 -6.276 146 H LEU 17 H LEU 17 0.809 1.502 0.693 147 HA LEU 17 HA LEU 17 -0.885 -0.635 -0.079 148 HB2 LEU 17 2HB LEU 17 1.644 -0.650 0.176 149 HB3 LEU 17 1HB LEU 17 1.382 -0.775 1.901 150 HG LEU 17 HG LEU 17 0.137 -2.903 1.506 151 HD11 LEU 17 1HD1 LEU 17 -0.513 -2.526 -0.807 152 HD12 LEU 17 2HD1 LEU 17 0.418 -4.016 -0.656 153 HD13 LEU 17 3HD1 LEU 17 1.179 -2.563 -1.303 154 HD21 LEU 17 3HD2 LEU 17 2.970 -2.842 0.475 155 HD22 LEU 17 1HD2 LEU 17 2.129 -4.242 1.140 156 HD23 LEU 17 2HD2 LEU 17 2.500 -2.861 2.174 157 H THR 18 H THR 18 -0.121 0.828 3.045 158 HA THR 18 HA THR 18 -1.502 -0.880 4.723 159 HB THR 18 HB THR 18 -1.141 2.111 4.948 160 HG1 THR 18 1HG THR 18 0.347 0.271 6.442 161 HG21 THR 18 3HG2 THR 18 -1.822 0.084 7.072 162 HG22 THR 18 1HG2 THR 18 -2.913 1.307 6.422 163 HG23 THR 18 2HG2 THR 18 -1.490 1.795 7.343 164 H ALA 19 H ALA 19 -2.724 2.347 3.854 165 HA ALA 19 HA ALA 19 -5.391 1.750 4.479 166 HB1 ALA 19 1HB ALA 19 -5.946 3.857 3.381 167 HB2 ALA 19 2HB ALA 19 -4.334 3.915 2.667 168 HB3 ALA 19 3HB ALA 19 -4.527 4.035 4.415 169 H GLY 20 H GLY 20 -3.509 0.950 1.779 170 HA2 GLY 20 2HA GLY 20 -5.578 0.818 -0.154 171 HA3 GLY 20 1HA GLY 20 -3.995 0.092 -0.299 172 H GLN 21 H GLN 21 -4.075 -1.511 1.978 173 HA GLN 21 HA GLN 21 -5.374 -3.807 0.986 174 HB2 GLN 21 2HB GLN 21 -3.377 -3.857 2.455 175 HB3 GLN 21 1HB GLN 21 -4.370 -3.299 3.793 176 HG2 GLN 21 2HG GLN 21 -4.043 -5.671 3.964 177 HG3 GLN 21 1HG GLN 21 -5.735 -5.335 3.602 178 HE21 GLN 21 1HE2 GLN 21 -2.742 -6.621 2.399 179 HE22 GLN 21 2HE2 GLN 21 -3.402 -7.408 1.009 180 H LEU 22 H LEU 22 -6.167 -1.645 3.691 181 HA LEU 22 HA LEU 22 -8.499 -2.997 4.503 182 HB2 LEU 22 2HB LEU 22 -7.546 -0.164 4.859 183 HB3 LEU 22 1HB LEU 22 -9.074 -0.714 5.510 184 HG LEU 22 HG LEU 22 -7.414 -0.747 7.252 185 HD11 LEU 22 1HD1 LEU 22 -9.077 -2.527 7.291 186 HD12 LEU 22 2HD1 LEU 22 -7.537 -3.076 7.954 187 HD13 LEU 22 3HD1 LEU 22 -8.015 -3.551 6.324 188 HD21 LEU 22 3HD2 LEU 22 -5.416 -0.895 5.871 189 HD22 LEU 22 1HD2 LEU 22 -5.818 -2.559 5.446 190 HD23 LEU 22 2HD2 LEU 22 -5.414 -2.148 7.113 191 H SER 23 H SER 23 -8.051 -0.164 2.382 192 HA SER 23 HA SER 23 -10.794 0.102 1.812 193 HB2 SER 23 2HB SER 23 -9.282 1.993 1.570 194 HB3 SER 23 1HB SER 23 -8.428 1.139 0.293 195 HG SER 23 HG SER 23 -11.116 1.323 -0.147 196 H SER 24 H SER 24 -8.844 -2.307 1.052 197 HA SER 24 HA SER 24 -9.924 -2.791 -1.610 198 HB2 SER 24 2HB SER 24 -7.495 -3.129 -1.273 199 HB3 SER 24 1HB SER 24 -7.854 -4.362 -0.069 200 HG SER 24 HG SER 24 -8.880 -5.566 -1.712 201 H GLN 25 H GLN 25 -9.743 -4.203 1.607 202 HA GLN 25 HA GLN 25 -11.274 -6.500 1.118 203 HB2 GLN 25 2HB GLN 25 -11.000 -4.919 3.685 204 HB3 GLN 25 1HB GLN 25 -11.576 -6.578 3.558 205 HG2 GLN 25 2HG GLN 25 -9.377 -7.230 2.649 206 HG3 GLN 25 1HG GLN 25 -8.817 -5.578 2.894 207 HE21 GLN 25 1HE2 GLN 25 -8.464 -4.826 4.979 208 HE22 GLN 25 2HE2 GLN 25 -8.330 -5.892 6.332 209 H LEU 26 H LEU 26 -12.158 -3.179 1.679 210 HA LEU 26 HA LEU 26 -14.944 -3.831 2.066 211 HB2 LEU 26 2HB LEU 26 -13.771 -1.084 1.773 212 HB3 LEU 26 1HB LEU 26 -15.283 -1.535 2.542 213 HG LEU 26 HG LEU 26 -12.617 -2.418 3.605 214 HD11 LEU 26 1HD1 LEU 26 -12.762 -0.564 5.199 215 HD12 LEU 26 2HD1 LEU 26 -14.189 0.044 4.360 216 HD13 LEU 26 3HD1 LEU 26 -12.628 0.019 3.540 217 HD21 LEU 26 3HD2 LEU 26 -14.596 -3.662 4.349 218 HD22 LEU 26 1HD2 LEU 26 -15.328 -2.155 4.899 219 HD23 LEU 26 2HD2 LEU 26 -13.858 -2.752 5.667 220 H ALA 27 H ALA 27 -12.811 -2.526 -0.368 221 HA ALA 27 HA ALA 27 -14.556 -1.415 -2.164 222 HB1 ALA 27 1HB ALA 27 -12.155 -1.365 -2.490 223 HB2 ALA 27 2HB ALA 27 -12.943 -2.032 -3.920 224 HB3 ALA 27 3HB ALA 27 -12.135 -3.104 -2.777 225 H GLU 28 H GLU 28 -13.755 -4.835 -1.762 226 HA GLU 28 HA GLU 28 -15.281 -5.793 -3.862 227 HB2 GLU 28 2HB GLU 28 -14.752 -7.911 -3.154 228 HB3 GLU 28 1HB GLU 28 -13.423 -6.944 -2.519 229 HG2 GLU 28 2HG GLU 28 -14.409 -6.882 -0.374 230 HG3 GLU 28 1HG GLU 28 -15.871 -7.634 -0.988 231 H LEU 29 H LEU 29 -16.084 -5.103 -0.530 232 HA LEU 29 HA LEU 29 -18.903 -5.333 -1.205 233 HB2 LEU 29 2HB LEU 29 -17.479 -7.189 0.582 234 HB3 LEU 29 1HB LEU 29 -18.969 -6.529 1.231 235 HG LEU 29 HG LEU 29 -19.830 -7.274 -1.212 236 HD11 LEU 29 1HD1 LEU 29 -18.903 -9.506 -1.693 237 HD12 LEU 29 2HD1 LEU 29 -17.653 -9.223 -0.482 238 HD13 LEU 29 3HD1 LEU 29 -17.730 -8.211 -1.925 239 HD21 LEU 29 3HD2 LEU 29 -19.618 -9.034 1.224 240 HD22 LEU 29 1HD2 LEU 29 -20.738 -9.266 -0.118 241 HD23 LEU 29 2HD2 LEU 29 -20.872 -7.836 0.904 242 H SER 30 H SER 30 -18.752 -3.048 -0.981 243 HA SER 30 HA SER 30 -17.837 -1.632 1.172 244 HB2 SER 30 2HB SER 30 -18.584 -0.563 -0.896 245 HB3 SER 30 1HB SER 30 -20.250 -1.015 -0.543 246 HG SER 30 HG SER 30 -19.178 0.294 1.547 247 H GLU 31 H GLU 31 -18.527 -1.195 3.193 248 HA GLU 31 HA GLU 31 -20.709 -2.756 4.252 249 HB2 GLU 31 2HB GLU 31 -18.908 -0.743 5.613 250 HB3 GLU 31 1HB GLU 31 -20.012 -1.839 6.425 251 HG2 GLU 31 2HG GLU 31 -17.589 -2.598 4.827 252 HG3 GLU 31 1HG GLU 31 -17.782 -2.672 6.577 253 H GLU 32 H GLU 32 -22.550 -1.929 5.313 254 HA GLU 32 HA GLU 32 -24.421 -0.637 5.402 255 HB2 GLU 32 2HB GLU 32 -22.330 1.531 5.641 256 HB3 GLU 32 1HB GLU 32 -24.038 1.739 6.009 257 HG2 GLU 32 2HG GLU 32 -22.293 -0.290 7.371 258 HG3 GLU 32 1HG GLU 32 -22.538 1.348 7.979 259 H ALA 33 H ALA 33 -25.051 -1.127 3.248 260 HA ALA 33 HA ALA 33 -25.100 1.237 1.535 261 HB1 ALA 33 1HB ALA 33 -24.496 -0.027 -0.456 262 HB2 ALA 33 2HB ALA 33 -24.264 -1.478 0.518 263 HB3 ALA 33 3HB ALA 33 -23.198 -0.090 0.736 264 H LEU 34 H LEU 34 -27.054 1.561 0.657 265 HA LEU 34 HA LEU 34 -28.823 -0.574 -0.042 266 HB2 LEU 34 2HB LEU 34 -29.164 -0.545 2.384 267 HB3 LEU 34 1HB LEU 34 -29.546 1.165 2.318 268 HG LEU 34 HG LEU 34 -31.532 0.630 0.921 269 HD11 LEU 34 1HD1 LEU 34 -30.801 -2.224 1.566 270 HD12 LEU 34 2HD1 LEU 34 -30.758 -1.473 -0.029 271 HD13 LEU 34 3HD1 LEU 34 -32.298 -1.687 0.801 272 HD21 LEU 34 3HD2 LEU 34 -31.388 -0.760 3.594 273 HD22 LEU 34 1HD2 LEU 34 -32.868 -0.300 2.752 274 HD23 LEU 34 2HD2 LEU 34 -31.754 0.944 3.321 Start of MODEL 3 1 H1 MET 1 1HT MET 1 13.434 4.357 -8.746 2 H2 MET 1 2HT MET 1 12.282 4.012 -7.556 3 H3 MET 1 3HT MET 1 11.896 5.058 -8.828 4 HA MET 1 HA MET 1 10.902 2.871 -9.124 5 HB2 MET 1 2HB MET 1 13.080 3.568 -11.104 6 HB3 MET 1 1HB MET 1 11.728 2.493 -11.428 7 HG2 MET 1 2HG MET 1 10.174 4.347 -11.061 8 HG3 MET 1 1HG MET 1 11.538 5.421 -10.759 9 HE1 MET 1 2HE MET 1 10.707 3.412 -14.833 10 HE2 MET 1 3HE MET 1 9.670 3.216 -13.420 11 HE3 MET 1 1HE MET 1 11.294 2.529 -13.425 12 H ASN 2 H ASN 2 12.216 1.925 -7.121 13 HA ASN 2 HA ASN 2 14.196 -0.016 -8.067 14 HB2 ASN 2 2HB ASN 2 13.382 0.765 -5.260 15 HB3 ASN 2 1HB ASN 2 14.633 -0.409 -5.659 16 HD21 ASN 2 1HD2 ASN 2 13.750 2.950 -5.643 17 HD22 ASN 2 2HD2 ASN 2 15.338 3.577 -5.908 18 H LYS 3 H LYS 3 14.059 -2.232 -7.113 19 HA LYS 3 HA LYS 3 11.304 -3.122 -6.656 20 HB2 LYS 3 2HB LYS 3 13.216 -4.318 -8.667 21 HB3 LYS 3 1HB LYS 3 11.701 -5.061 -8.174 22 HG2 LYS 3 2HG LYS 3 10.486 -3.102 -9.029 23 HG3 LYS 3 1HG LYS 3 12.017 -2.412 -9.572 24 HD2 LYS 3 2HD LYS 3 12.365 -4.314 -11.055 25 HD3 LYS 3 1HD LYS 3 10.865 -5.049 -10.485 26 HE2 LYS 3 2HE LYS 3 11.111 -2.416 -11.937 27 HE3 LYS 3 1HE LYS 3 10.552 -3.935 -12.637 28 HZ1 LYS 3 3HZ LYS 3 8.695 -2.528 -12.037 29 HZ2 LYS 3 1HZ LYS 3 9.229 -2.447 -10.433 30 HZ3 LYS 3 2HZ LYS 3 8.698 -3.920 -11.075 31 H LYS 4 H LYS 4 12.256 -3.117 -4.455 32 HA LYS 4 HA LYS 4 13.439 -5.737 -3.899 33 HB2 LYS 4 2HB LYS 4 15.275 -4.073 -3.923 34 HB3 LYS 4 1HB LYS 4 14.437 -3.153 -2.682 35 HG2 LYS 4 2HG LYS 4 16.200 -4.450 -1.687 36 HG3 LYS 4 1HG LYS 4 14.637 -5.074 -1.155 37 HD2 LYS 4 2HD LYS 4 14.789 -6.890 -2.762 38 HD3 LYS 4 1HD LYS 4 16.309 -6.241 -3.382 39 HE2 LYS 4 2HE LYS 4 17.350 -6.595 -1.199 40 HE3 LYS 4 1HE LYS 4 15.830 -7.229 -0.571 41 HZ1 LYS 4 3HZ LYS 4 17.336 -9.008 -1.187 42 HZ2 LYS 4 1HZ LYS 4 17.427 -8.423 -2.772 43 HZ3 LYS 4 2HZ LYS 4 15.966 -9.032 -2.178 44 H ASN 5 H ASN 5 13.032 -6.524 -1.766 45 HA ASN 5 HA ASN 5 10.471 -6.177 -0.818 46 HB2 ASN 5 2HB ASN 5 11.836 -8.100 -0.213 47 HB3 ASN 5 1HB ASN 5 12.920 -7.071 0.716 48 HD21 ASN 5 1HD2 ASN 5 12.571 -8.189 2.613 49 HD22 ASN 5 2HD2 ASN 5 11.087 -8.090 3.491 50 H ILE 6 H ILE 6 13.342 -5.065 0.983 51 HA ILE 6 HA ILE 6 11.780 -3.233 2.539 52 HB ILE 6 HB ILE 6 14.787 -3.424 2.340 53 HG12 ILE 6 2HG1 ILE 6 12.952 -4.752 4.346 54 HG13 ILE 6 1HG1 ILE 6 13.651 -5.578 2.957 55 HG21 ILE 6 1HG2 ILE 6 14.725 -2.413 4.588 56 HG22 ILE 6 2HG2 ILE 6 12.976 -2.243 4.439 57 HG23 ILE 6 3HG2 ILE 6 14.043 -1.360 3.348 58 HD11 ILE 6 3HD1 ILE 6 15.885 -5.163 3.830 59 HD12 ILE 6 1HD1 ILE 6 14.893 -6.040 4.994 60 HD13 ILE 6 2HD1 ILE 6 15.193 -4.316 5.213 61 H LEU 7 H LEU 7 11.703 -1.019 2.429 62 HA LEU 7 HA LEU 7 12.688 0.159 -0.073 63 HB2 LEU 7 2HB LEU 7 10.357 0.701 1.697 64 HB3 LEU 7 1HB LEU 7 11.038 2.047 0.804 65 HG LEU 7 HG LEU 7 10.279 -0.484 -0.606 66 HD11 LEU 7 1HD1 LEU 7 8.083 0.499 -1.070 67 HD12 LEU 7 2HD1 LEU 7 8.451 1.826 0.033 68 HD13 LEU 7 3HD1 LEU 7 8.304 0.180 0.650 69 HD21 LEU 7 3HD2 LEU 7 10.477 2.397 -1.455 70 HD22 LEU 7 1HD2 LEU 7 9.983 1.059 -2.492 71 HD23 LEU 7 2HD2 LEU 7 11.620 1.109 -1.837 72 HA PRO 8 HA PRO 8 15.510 2.770 2.076 73 HB2 PRO 8 2HB PRO 8 15.660 4.895 0.464 74 HB3 PRO 8 1HB PRO 8 16.305 3.315 0.005 75 HG2 PRO 8 2HG PRO 8 13.735 4.607 -0.765 76 HG3 PRO 8 1HG PRO 8 14.872 3.686 -1.755 77 HD2 PRO 8 2HD PRO 8 12.568 2.643 -0.724 78 HD3 PRO 8 1HD PRO 8 14.004 1.673 -1.105 79 H GLN 9 H GLN 9 15.289 5.689 1.659 80 HA GLN 9 HA GLN 9 13.812 6.301 3.987 81 HB2 GLN 9 2HB GLN 9 15.091 8.094 1.930 82 HB3 GLN 9 1HB GLN 9 14.416 8.655 3.448 83 HG2 GLN 9 2HG GLN 9 16.041 7.394 4.696 84 HG3 GLN 9 1HG GLN 9 16.671 6.683 3.211 85 HE21 GLN 9 1HE2 GLN 9 18.735 7.468 3.568 86 HE22 GLN 9 2HE2 GLN 9 19.134 9.140 3.398 87 H GLN 10 H GLN 10 12.731 5.526 1.141 88 HA GLN 10 HA GLN 10 10.805 7.552 0.574 89 HB2 GLN 10 2HB GLN 10 11.042 4.694 -0.372 90 HB3 GLN 10 1HB GLN 10 9.841 5.829 -0.973 91 HG2 GLN 10 2HG GLN 10 11.534 7.234 -1.898 92 HG3 GLN 10 1HG GLN 10 12.808 6.289 -1.131 93 HE21 GLN 10 1HE2 GLN 10 10.003 4.829 -2.597 94 HE22 GLN 10 2HE2 GLN 10 10.828 4.125 -3.941 95 H GLY 11 H GLY 11 9.786 4.205 0.942 96 HA2 GLY 11 2HA GLY 11 8.178 3.235 2.270 97 HA3 GLY 11 1HA GLY 11 8.448 4.534 3.416 98 H GLN 12 H GLN 12 7.734 5.788 0.428 99 HA GLN 12 HA GLN 12 5.364 6.971 1.212 100 HB2 GLN 12 2HB GLN 12 7.024 6.870 -1.144 101 HB3 GLN 12 1HB GLN 12 5.324 6.973 -1.548 102 HG2 GLN 12 2HG GLN 12 5.111 8.968 -0.149 103 HG3 GLN 12 1HG GLN 12 6.826 8.856 0.247 104 HE21 GLN 12 1HE2 GLN 12 5.340 11.000 -1.069 105 HE22 GLN 12 2HE2 GLN 12 6.104 11.240 -2.600 106 HA PRO 13 HA PRO 13 3.036 3.660 -1.392 107 HB2 PRO 13 2HB PRO 13 4.897 1.461 -1.826 108 HB3 PRO 13 1HB PRO 13 4.031 2.430 -3.020 109 HG2 PRO 13 2HG PRO 13 6.720 2.576 -2.698 110 HG3 PRO 13 1HG PRO 13 5.741 3.964 -3.212 111 HD2 PRO 13 2HD PRO 13 6.781 3.298 -0.471 112 HD3 PRO 13 1HD PRO 13 6.791 4.867 -1.312 113 H VAL 14 H VAL 14 5.005 3.130 1.278 114 HA VAL 14 HA VAL 14 3.829 0.625 2.092 115 HB VAL 14 HB VAL 14 5.416 2.598 3.754 116 HG11 VAL 14 1HG1 VAL 14 4.784 -0.320 4.178 117 HG12 VAL 14 2HG1 VAL 14 4.152 1.039 5.109 118 HG13 VAL 14 3HG1 VAL 14 5.869 0.644 5.181 119 HG21 VAL 14 3HG2 VAL 14 7.350 1.157 3.300 120 HG22 VAL 14 1HG2 VAL 14 6.712 1.884 1.825 121 HG23 VAL 14 2HG2 VAL 14 6.366 0.196 2.196 122 H ILE 15 H ILE 15 3.121 3.971 2.300 123 HA ILE 15 HA ILE 15 1.231 3.679 4.489 124 HB ILE 15 HB ILE 15 1.749 6.109 2.776 125 HG12 ILE 15 2HG1 ILE 15 3.827 5.234 3.845 126 HG13 ILE 15 1HG1 ILE 15 3.368 6.833 4.405 127 HG21 ILE 15 1HG2 ILE 15 0.896 7.319 4.761 128 HG22 ILE 15 2HG2 ILE 15 0.526 5.766 5.511 129 HG23 ILE 15 3HG2 ILE 15 -0.301 6.249 4.031 130 HD11 ILE 15 3HD1 ILE 15 4.156 5.405 6.223 131 HD12 ILE 15 1HD1 ILE 15 2.863 4.258 5.876 132 HD13 ILE 15 2HD1 ILE 15 2.472 5.878 6.450 133 H ARG 16 H ARG 16 1.356 3.732 1.081 134 HA ARG 16 HA ARG 16 -1.463 4.215 0.680 135 HB2 ARG 16 2HB ARG 16 0.234 3.025 -1.450 136 HB3 ARG 16 1HB ARG 16 -0.986 4.282 -1.568 137 HG2 ARG 16 2HG ARG 16 0.582 5.840 -0.456 138 HG3 ARG 16 1HG ARG 16 1.804 4.566 -0.514 139 HD2 ARG 16 2HD ARG 16 0.406 5.808 -2.876 140 HD3 ARG 16 1HD ARG 16 2.070 6.120 -2.378 141 HE ARG 16 HE ARG 16 1.621 3.348 -2.827 142 HH11 ARG 16 1HH1 ARG 16 2.152 6.372 -4.476 143 HH12 ARG 16 2HH1 ARG 16 2.851 5.633 -5.877 144 HH21 ARG 16 1HH2 ARG 16 2.544 2.368 -4.664 145 HH22 ARG 16 2HH2 ARG 16 3.075 3.356 -5.983 146 H LEU 17 H LEU 17 0.818 1.595 0.643 147 HA LEU 17 HA LEU 17 -0.925 -0.479 -0.156 148 HB2 LEU 17 2HB LEU 17 1.580 -0.596 -0.106 149 HB3 LEU 17 1HB LEU 17 1.492 -0.703 1.640 150 HG LEU 17 HG LEU 17 0.143 -2.807 1.363 151 HD11 LEU 17 1HD1 LEU 17 0.252 -3.953 -0.786 152 HD12 LEU 17 2HD1 LEU 17 1.047 -2.550 -1.501 153 HD13 LEU 17 3HD1 LEU 17 -0.615 -2.423 -0.925 154 HD21 LEU 17 3HD2 LEU 17 2.514 -2.857 1.919 155 HD22 LEU 17 1HD2 LEU 17 2.928 -2.787 0.206 156 HD23 LEU 17 2HD2 LEU 17 2.089 -4.197 0.854 157 H THR 18 H THR 18 -0.057 0.805 3.020 158 HA THR 18 HA THR 18 -1.348 -1.074 4.617 159 HB THR 18 HB THR 18 -0.872 1.873 5.077 160 HG1 THR 18 1HG THR 18 0.733 -0.293 5.091 161 HG21 THR 18 3HG2 THR 18 -1.166 1.390 7.452 162 HG22 THR 18 1HG2 THR 18 -1.593 -0.276 7.064 163 HG23 THR 18 2HG2 THR 18 -2.638 1.047 6.544 164 H ALA 19 H ALA 19 -2.541 2.236 4.074 165 HA ALA 19 HA ALA 19 -5.194 1.613 4.769 166 HB1 ALA 19 1HB ALA 19 -5.762 3.819 3.897 167 HB2 ALA 19 2HB ALA 19 -4.181 3.924 3.120 168 HB3 ALA 19 3HB ALA 19 -4.298 3.886 4.880 169 H GLY 20 H GLY 20 -3.425 0.962 1.980 170 HA2 GLY 20 2HA GLY 20 -5.524 1.066 0.083 171 HA3 GLY 20 1HA GLY 20 -3.985 0.263 -0.134 172 H GLN 21 H GLN 21 -4.040 -1.517 1.932 173 HA GLN 21 HA GLN 21 -5.480 -3.664 0.870 174 HB2 GLN 21 2HB GLN 21 -3.470 -3.804 2.381 175 HB3 GLN 21 1HB GLN 21 -4.531 -3.420 3.729 176 HG2 GLN 21 2HG GLN 21 -5.818 -5.436 3.318 177 HG3 GLN 21 1HG GLN 21 -4.808 -5.813 1.924 178 HE21 GLN 21 1HE2 GLN 21 -3.567 -4.457 4.895 179 HE22 GLN 21 2HE2 GLN 21 -2.690 -5.857 5.396 180 H LEU 22 H LEU 22 -6.213 -1.502 3.567 181 HA LEU 22 HA LEU 22 -8.587 -2.810 4.382 182 HB2 LEU 22 2HB LEU 22 -7.507 -0.034 4.791 183 HB3 LEU 22 1HB LEU 22 -9.076 -0.505 5.410 184 HG LEU 22 HG LEU 22 -7.932 -2.341 6.690 185 HD11 LEU 22 1HD1 LEU 22 -5.897 -2.486 5.355 186 HD12 LEU 22 2HD1 LEU 22 -5.524 -2.151 7.046 187 HD13 LEU 22 3HD1 LEU 22 -5.446 -0.855 5.851 188 HD21 LEU 22 3HD2 LEU 22 -8.611 -0.260 7.755 189 HD22 LEU 22 1HD2 LEU 22 -7.087 0.493 7.284 190 HD23 LEU 22 2HD2 LEU 22 -7.092 -0.845 8.434 191 H SER 23 H SER 23 -8.032 0.072 2.360 192 HA SER 23 HA SER 23 -10.757 0.418 1.742 193 HB2 SER 23 2HB SER 23 -9.185 2.278 1.605 194 HB3 SER 23 1HB SER 23 -8.339 1.452 0.304 195 HG SER 23 HG SER 23 -11.076 1.927 0.022 196 H SER 24 H SER 24 -8.840 -2.003 0.933 197 HA SER 24 HA SER 24 -9.834 -2.360 -1.780 198 HB2 SER 24 2HB SER 24 -7.429 -2.807 -1.303 199 HB3 SER 24 1HB SER 24 -7.922 -4.098 -0.213 200 HG SER 24 HG SER 24 -9.141 -4.817 -2.244 201 H GLN 25 H GLN 25 -9.927 -3.783 1.415 202 HA GLN 25 HA GLN 25 -11.449 -6.062 0.831 203 HB2 GLN 25 2HB GLN 25 -11.224 -4.413 3.353 204 HB3 GLN 25 1HB GLN 25 -12.087 -5.944 3.270 205 HG2 GLN 25 2HG GLN 25 -9.166 -5.569 2.654 206 HG3 GLN 25 1HG GLN 25 -9.816 -6.166 4.180 207 HE21 GLN 25 1HE2 GLN 25 -8.023 -7.451 2.267 208 HE22 GLN 25 2HE2 GLN 25 -8.797 -8.925 1.805 209 H LEU 26 H LEU 26 -12.308 -2.722 1.129 210 HA LEU 26 HA LEU 26 -15.100 -3.160 1.514 211 HB2 LEU 26 2HB LEU 26 -13.814 -0.644 0.492 212 HB3 LEU 26 1HB LEU 26 -15.336 -0.804 1.349 213 HG LEU 26 HG LEU 26 -12.696 -1.483 2.608 214 HD11 LEU 26 1HD1 LEU 26 -12.760 0.722 3.666 215 HD12 LEU 26 2HD1 LEU 26 -14.181 1.141 2.708 216 HD13 LEU 26 3HD1 LEU 26 -12.633 0.854 1.912 217 HD21 LEU 26 3HD2 LEU 26 -14.656 -2.440 3.680 218 HD22 LEU 26 1HD2 LEU 26 -15.412 -0.848 3.752 219 HD23 LEU 26 2HD2 LEU 26 -13.955 -1.177 4.690 220 H ALA 27 H ALA 27 -12.963 -2.587 -1.196 221 HA ALA 27 HA ALA 27 -14.741 -1.955 -3.199 222 HB1 ALA 27 1HB ALA 27 -13.105 -2.853 -4.763 223 HB2 ALA 27 2HB ALA 27 -12.303 -3.711 -3.448 224 HB3 ALA 27 3HB ALA 27 -12.309 -1.947 -3.477 225 H GLU 28 H GLU 28 -14.412 -4.930 -1.522 226 HA GLU 28 HA GLU 28 -16.052 -6.280 -3.453 227 HB2 GLU 28 2HB GLU 28 -15.307 -8.336 -1.999 228 HB3 GLU 28 1HB GLU 28 -14.292 -7.698 -3.292 229 HG2 GLU 28 2HG GLU 28 -13.230 -6.247 -1.588 230 HG3 GLU 28 1HG GLU 28 -14.086 -7.170 -0.364 231 H LEU 29 H LEU 29 -15.630 -5.784 -0.003 232 HA LEU 29 HA LEU 29 -18.489 -6.352 0.370 233 HB2 LEU 29 2HB LEU 29 -16.140 -7.322 1.950 234 HB3 LEU 29 1HB LEU 29 -17.669 -7.059 2.761 235 HG LEU 29 HG LEU 29 -17.468 -9.386 2.199 236 HD11 LEU 29 1HD1 LEU 29 -19.481 -9.714 0.865 237 HD12 LEU 29 2HD1 LEU 29 -19.417 -8.030 0.345 238 HD13 LEU 29 3HD1 LEU 29 -19.696 -8.419 2.042 239 HD21 LEU 29 3HD2 LEU 29 -17.243 -8.608 -0.698 240 HD22 LEU 29 1HD2 LEU 29 -17.120 -10.221 0.002 241 HD23 LEU 29 2HD2 LEU 29 -15.860 -9.026 0.313 242 H SER 30 H SER 30 -18.136 -3.890 -0.099 243 HA SER 30 HA SER 30 -17.072 -2.128 1.675 244 HB2 SER 30 2HB SER 30 -18.055 -1.453 -0.468 245 HB3 SER 30 1HB SER 30 -19.666 -1.802 0.156 246 HG SER 30 HG SER 30 -18.918 -0.212 1.896 247 H GLU 31 H GLU 31 -17.434 -1.597 3.732 248 HA GLU 31 HA GLU 31 -19.928 -2.524 4.988 249 HB2 GLU 31 2HB GLU 31 -17.272 -1.848 6.272 250 HB3 GLU 31 1HB GLU 31 -18.702 -2.427 7.115 251 HG2 GLU 31 2HG GLU 31 -18.580 -4.536 6.050 252 HG3 GLU 31 1HG GLU 31 -17.305 -3.984 4.965 253 H GLU 32 H GLU 32 -17.751 0.234 4.674 254 HA GLU 32 HA GLU 32 -19.174 1.971 6.401 255 HB2 GLU 32 2HB GLU 32 -17.359 2.657 4.081 256 HB3 GLU 32 1HB GLU 32 -17.870 3.764 5.347 257 HG2 GLU 32 2HG GLU 32 -16.706 2.414 7.009 258 HG3 GLU 32 1HG GLU 32 -16.208 1.286 5.750 259 H ALA 33 H ALA 33 -20.204 4.032 5.606 260 HA ALA 33 HA ALA 33 -21.491 3.946 3.029 261 HB1 ALA 33 1HB ALA 33 -22.908 2.418 4.315 262 HB2 ALA 33 2HB ALA 33 -23.776 3.886 3.865 263 HB3 ALA 33 3HB ALA 33 -23.181 3.684 5.513 264 H LEU 34 H LEU 34 -21.864 5.952 2.323 265 HA LEU 34 HA LEU 34 -21.197 8.185 3.994 266 HB2 LEU 34 2HB LEU 34 -20.572 8.155 1.639 267 HB3 LEU 34 1HB LEU 34 -22.259 8.062 1.169 268 HG LEU 34 HG LEU 34 -22.618 10.312 2.178 269 HD11 LEU 34 1HD1 LEU 34 -20.778 10.286 3.775 270 HD12 LEU 34 2HD1 LEU 34 -20.673 11.686 2.708 271 HD13 LEU 34 3HD1 LEU 34 -19.616 10.299 2.449 272 HD21 LEU 34 3HD2 LEU 34 -22.220 10.047 -0.218 273 HD22 LEU 34 1HD2 LEU 34 -20.481 10.166 0.054 274 HD23 LEU 34 2HD2 LEU 34 -21.522 11.550 0.385 Start of MODEL 4 1 H1 MET 1 1HT MET 1 -1.402 21.454 6.927 2 H2 MET 1 2HT MET 1 -2.461 20.848 5.756 3 H3 MET 1 3HT MET 1 -1.326 22.031 5.337 4 HA MET 1 HA MET 1 -0.664 19.298 6.264 5 HB2 MET 1 2HB MET 1 -0.581 20.474 3.477 6 HB3 MET 1 1HB MET 1 -0.002 18.876 3.927 7 HG2 MET 1 2HG MET 1 -2.264 18.226 4.558 8 HG3 MET 1 1HG MET 1 -2.849 19.831 4.128 9 HE1 MET 1 2HE MET 1 -4.117 17.146 2.995 10 HE2 MET 1 3HE MET 1 -4.325 17.560 1.292 11 HE3 MET 1 1HE MET 1 -4.696 18.750 2.540 12 H ASN 2 H ASN 2 1.053 19.764 7.547 13 HA ASN 2 HA ASN 2 3.313 21.135 6.256 14 HB2 ASN 2 2HB ASN 2 3.924 22.031 8.524 15 HB3 ASN 2 1HB ASN 2 2.451 22.713 7.841 16 HD21 ASN 2 1HD2 ASN 2 1.685 23.308 9.860 17 HD22 ASN 2 2HD2 ASN 2 1.078 22.155 10.995 18 H LYS 3 H LYS 3 5.410 20.663 7.444 19 HA LYS 3 HA LYS 3 6.983 19.001 7.657 20 HB2 LYS 3 2HB LYS 3 6.897 17.950 9.876 21 HB3 LYS 3 1HB LYS 3 6.534 19.668 9.949 22 HG2 LYS 3 2HG LYS 3 4.136 19.132 10.079 23 HG3 LYS 3 1HG LYS 3 4.540 17.414 10.073 24 HD2 LYS 3 2HD LYS 3 5.810 17.701 12.140 25 HD3 LYS 3 1HD LYS 3 5.434 19.426 12.140 26 HE2 LYS 3 2HE LYS 3 3.045 18.892 12.306 27 HE3 LYS 3 1HE LYS 3 3.435 17.173 12.330 28 HZ1 LYS 3 3HZ LYS 3 4.289 19.166 14.360 29 HZ2 LYS 3 1HZ LYS 3 4.658 17.515 14.385 30 HZ3 LYS 3 2HZ LYS 3 3.055 18.027 14.556 31 H LYS 4 H LYS 4 5.240 18.149 5.761 32 HA LYS 4 HA LYS 4 4.480 15.411 6.421 33 HB2 LYS 4 2HB LYS 4 2.864 16.780 5.196 34 HB3 LYS 4 1HB LYS 4 4.038 17.040 3.912 35 HG2 LYS 4 2HG LYS 4 2.431 15.377 3.239 36 HG3 LYS 4 1HG LYS 4 4.019 14.632 3.428 37 HD2 LYS 4 2HD LYS 4 3.376 13.766 5.608 38 HD3 LYS 4 1HD LYS 4 1.808 14.566 5.481 39 HE2 LYS 4 2HE LYS 4 1.633 12.193 4.939 40 HE3 LYS 4 1HE LYS 4 1.257 13.195 3.539 41 HZ1 LYS 4 3HZ LYS 4 3.488 12.800 2.701 42 HZ2 LYS 4 1HZ LYS 4 2.673 11.337 2.939 43 HZ3 LYS 4 2HZ LYS 4 3.851 11.839 4.044 44 H ASN 5 H ASN 5 6.526 14.456 6.604 45 HA ASN 5 HA ASN 5 7.675 13.659 4.073 46 HB2 ASN 5 2HB ASN 5 8.871 15.777 4.675 47 HB3 ASN 5 1HB ASN 5 9.440 14.988 6.141 48 HD21 ASN 5 1HD2 ASN 5 10.921 16.086 3.875 49 HD22 ASN 5 2HD2 ASN 5 11.892 14.791 3.271 50 H ILE 6 H ILE 6 6.792 11.652 4.832 51 HA ILE 6 HA ILE 6 8.142 10.443 7.132 52 HB ILE 6 HB ILE 6 5.874 9.292 5.504 53 HG12 ILE 6 2HG1 ILE 6 5.731 10.807 8.123 54 HG13 ILE 6 1HG1 ILE 6 5.256 11.459 6.558 55 HG21 ILE 6 1HG2 ILE 6 5.546 7.871 7.482 56 HG22 ILE 6 2HG2 ILE 6 6.965 8.603 8.228 57 HG23 ILE 6 3HG2 ILE 6 7.137 7.647 6.757 58 HD11 ILE 6 3HD1 ILE 6 3.528 9.727 6.381 59 HD12 ILE 6 1HD1 ILE 6 3.315 10.751 7.803 60 HD13 ILE 6 2HD1 ILE 6 3.987 9.129 7.977 61 H LEU 7 H LEU 7 10.174 10.101 6.163 62 HA LEU 7 HA LEU 7 11.775 8.879 5.122 63 HB2 LEU 7 2HB LEU 7 9.481 6.950 4.822 64 HB3 LEU 7 1HB LEU 7 11.103 6.584 4.272 65 HG LEU 7 HG LEU 7 11.855 7.012 6.673 66 HD11 LEU 7 1HD1 LEU 7 10.146 6.730 8.395 67 HD12 LEU 7 2HD1 LEU 7 8.892 6.736 7.155 68 HD13 LEU 7 3HD1 LEU 7 9.860 8.183 7.439 69 HD21 LEU 7 3HD2 LEU 7 11.749 4.790 5.711 70 HD22 LEU 7 1HD2 LEU 7 10.023 4.696 6.063 71 HD23 LEU 7 2HD2 LEU 7 11.191 4.755 7.384 72 HA PRO 8 HA PRO 8 11.798 9.954 0.845 73 HB2 PRO 8 2HB PRO 8 13.226 7.401 0.357 74 HB3 PRO 8 1HB PRO 8 13.703 9.049 -0.062 75 HG2 PRO 8 2HG PRO 8 14.884 7.826 1.932 76 HG3 PRO 8 1HG PRO 8 14.386 9.518 2.124 77 HD2 PRO 8 2HD PRO 8 13.025 7.025 3.102 78 HD3 PRO 8 1HD PRO 8 13.350 8.540 3.960 79 H GLN 9 H GLN 9 12.026 8.048 -1.302 80 HA GLN 9 HA GLN 9 9.293 7.512 -1.748 81 HB2 GLN 9 2HB GLN 9 11.757 6.675 -3.269 82 HB3 GLN 9 1HB GLN 9 10.118 6.421 -3.839 83 HG2 GLN 9 2HG GLN 9 9.729 8.772 -3.995 84 HG3 GLN 9 1HG GLN 9 11.268 9.124 -3.210 85 HE21 GLN 9 1HE2 GLN 9 13.180 8.869 -4.364 86 HE22 GLN 9 2HE2 GLN 9 13.204 8.740 -6.086 87 H GLN 10 H GLN 10 11.265 6.033 0.204 88 HA GLN 10 HA GLN 10 10.636 3.279 -0.411 89 HB2 GLN 10 2HB GLN 10 12.146 4.478 1.915 90 HB3 GLN 10 1HB GLN 10 11.989 2.758 1.588 91 HG2 GLN 10 2HG GLN 10 13.205 3.008 -0.488 92 HG3 GLN 10 1HG GLN 10 13.300 4.751 -0.245 93 HE21 GLN 10 1HE2 GLN 10 15.423 2.752 -0.540 94 HE22 GLN 10 2HE2 GLN 10 16.409 2.901 0.871 95 H GLY 11 H GLY 11 9.695 5.772 1.873 96 HA2 GLY 11 2HA GLY 11 7.922 3.893 3.252 97 HA3 GLY 11 1HA GLY 11 8.333 5.507 3.800 98 H GLN 12 H GLN 12 7.729 5.785 0.613 99 HA GLN 12 HA GLN 12 5.278 7.100 0.997 100 HB2 GLN 12 2HB GLN 12 7.201 6.722 -1.135 101 HB3 GLN 12 1HB GLN 12 5.550 6.779 -1.713 102 HG2 GLN 12 2HG GLN 12 5.245 8.917 -0.503 103 HG3 GLN 12 1HG GLN 12 6.950 8.855 -0.057 104 HE21 GLN 12 1HE2 GLN 12 7.415 10.766 -1.133 105 HE22 GLN 12 2HE2 GLN 12 7.469 10.870 -2.856 106 HA PRO 13 HA PRO 13 3.357 3.378 -1.369 107 HB2 PRO 13 2HB PRO 13 5.309 1.229 -1.370 108 HB3 PRO 13 1HB PRO 13 4.570 2.048 -2.748 109 HG2 PRO 13 2HG PRO 13 7.206 2.302 -2.119 110 HG3 PRO 13 1HG PRO 13 6.274 3.582 -2.920 111 HD2 PRO 13 2HD PRO 13 6.988 3.299 -0.016 112 HD3 PRO 13 1HD PRO 13 7.054 4.752 -1.040 113 H VAL 14 H VAL 14 5.110 3.236 1.500 114 HA VAL 14 HA VAL 14 3.979 0.788 2.509 115 HB VAL 14 HB VAL 14 5.288 3.007 4.093 116 HG11 VAL 14 1HG1 VAL 14 5.804 1.207 5.683 117 HG12 VAL 14 2HG1 VAL 14 4.909 0.072 4.673 118 HG13 VAL 14 3HG1 VAL 14 4.067 1.411 5.453 119 HG21 VAL 14 3HG2 VAL 14 7.375 1.725 3.874 120 HG22 VAL 14 1HG2 VAL 14 6.791 2.311 2.316 121 HG23 VAL 14 2HG2 VAL 14 6.566 0.620 2.764 122 H ILE 15 H ILE 15 3.005 4.032 2.182 123 HA ILE 15 HA ILE 15 0.979 3.845 4.270 124 HB ILE 15 HB ILE 15 1.675 6.149 2.460 125 HG12 ILE 15 2HG1 ILE 15 2.490 5.367 5.248 126 HG13 ILE 15 1HG1 ILE 15 3.510 5.853 3.900 127 HG21 ILE 15 1HG2 ILE 15 0.258 7.487 3.918 128 HG22 ILE 15 2HG2 ILE 15 -0.127 6.059 4.879 129 HG23 ILE 15 3HG2 ILE 15 -0.668 6.167 3.205 130 HD11 ILE 15 3HD1 ILE 15 3.504 7.602 5.500 131 HD12 ILE 15 1HD1 ILE 15 1.743 7.596 5.580 132 HD13 ILE 15 2HD1 ILE 15 2.557 8.141 4.113 133 H ARG 16 H ARG 16 1.408 3.743 0.869 134 HA ARG 16 HA ARG 16 -1.349 4.050 0.144 135 HB2 ARG 16 2HB ARG 16 0.579 2.644 -1.637 136 HB3 ARG 16 1HB ARG 16 -0.646 3.835 -2.041 137 HG2 ARG 16 2HG ARG 16 0.765 5.567 -0.965 138 HG3 ARG 16 1HG ARG 16 2.013 4.332 -0.759 139 HD2 ARG 16 2HD ARG 16 0.826 5.225 -3.381 140 HD3 ARG 16 1HD ARG 16 2.405 5.702 -2.758 141 HE ARG 16 HE ARG 16 2.089 2.862 -2.947 142 HH11 ARG 16 1HH1 ARG 16 2.897 5.744 -4.737 143 HH12 ARG 16 2HH1 ARG 16 3.840 4.898 -5.918 144 HH21 ARG 16 1HH2 ARG 16 3.325 1.745 -4.495 145 HH22 ARG 16 2HH2 ARG 16 4.084 2.624 -5.779 146 H LEU 17 H LEU 17 0.921 1.434 0.526 147 HA LEU 17 HA LEU 17 -0.765 -0.702 -0.206 148 HB2 LEU 17 2HB LEU 17 1.745 -0.740 0.115 149 HB3 LEU 17 1HB LEU 17 1.449 -0.809 1.838 150 HG LEU 17 HG LEU 17 0.230 -2.944 1.520 151 HD11 LEU 17 1HD1 LEU 17 -0.482 -2.649 -0.785 152 HD12 LEU 17 2HD1 LEU 17 0.464 -4.128 -0.616 153 HD13 LEU 17 3HD1 LEU 17 1.195 -2.689 -1.326 154 HD21 LEU 17 3HD2 LEU 17 2.604 -2.900 2.130 155 HD22 LEU 17 1HD2 LEU 17 3.038 -2.920 0.420 156 HD23 LEU 17 2HD2 LEU 17 2.209 -4.302 1.137 157 H THR 18 H THR 18 -0.093 0.774 2.938 158 HA THR 18 HA THR 18 -1.555 -0.922 4.567 159 HB THR 18 HB THR 18 -1.177 2.063 4.836 160 HG1 THR 18 1HG THR 18 0.311 0.023 6.133 161 HG21 THR 18 3HG2 THR 18 -1.521 1.677 7.230 162 HG22 THR 18 1HG2 THR 18 -1.874 -0.019 6.901 163 HG23 THR 18 2HG2 THR 18 -2.946 1.240 6.289 164 H ALA 19 H ALA 19 -2.671 2.322 3.609 165 HA ALA 19 HA ALA 19 -5.368 1.823 4.191 166 HB1 ALA 19 1HB ALA 19 -5.834 3.904 3.002 167 HB2 ALA 19 2HB ALA 19 -4.207 3.886 2.322 168 HB3 ALA 19 3HB ALA 19 -4.435 4.081 4.061 169 H GLY 20 H GLY 20 -3.440 0.881 1.576 170 HA2 GLY 20 2HA GLY 20 -5.458 0.727 -0.409 171 HA3 GLY 20 1HA GLY 20 -3.891 -0.046 -0.481 172 H GLN 21 H GLN 21 -4.008 -1.603 1.768 173 HA GLN 21 HA GLN 21 -5.399 -3.872 0.849 174 HB2 GLN 21 2HB GLN 21 -3.372 -3.927 2.296 175 HB3 GLN 21 1HB GLN 21 -4.350 -3.350 3.637 176 HG2 GLN 21 2HG GLN 21 -5.710 -5.361 3.537 177 HG3 GLN 21 1HG GLN 21 -4.776 -5.936 2.156 178 HE21 GLN 21 1HE2 GLN 21 -2.259 -4.932 3.257 179 HE22 GLN 21 2HE2 GLN 21 -1.825 -6.023 4.524 180 H LEU 22 H LEU 22 -6.103 -1.546 3.416 181 HA LEU 22 HA LEU 22 -8.431 -2.818 4.380 182 HB2 LEU 22 2HB LEU 22 -7.619 0.087 4.506 183 HB3 LEU 22 1HB LEU 22 -8.902 -0.644 5.444 184 HG LEU 22 HG LEU 22 -5.996 -1.427 5.638 185 HD11 LEU 22 1HD1 LEU 22 -7.664 0.307 7.455 186 HD12 LEU 22 2HD1 LEU 22 -6.335 0.848 6.429 187 HD13 LEU 22 3HD1 LEU 22 -6.020 -0.244 7.778 188 HD21 LEU 22 3HD2 LEU 22 -8.393 -2.160 7.316 189 HD22 LEU 22 1HD2 LEU 22 -6.721 -2.590 7.676 190 HD23 LEU 22 2HD2 LEU 22 -7.506 -3.232 6.233 191 H SER 23 H SER 23 -8.009 -0.069 2.145 192 HA SER 23 HA SER 23 -10.760 0.194 1.619 193 HB2 SER 23 2HB SER 23 -9.227 2.061 1.286 194 HB3 SER 23 1HB SER 23 -8.420 1.159 0.011 195 HG SER 23 HG SER 23 -10.323 2.790 -0.378 196 H SER 24 H SER 24 -8.832 -2.251 0.897 197 HA SER 24 HA SER 24 -9.940 -2.807 -1.736 198 HB2 SER 24 2HB SER 24 -7.512 -3.184 -1.361 199 HB3 SER 24 1HB SER 24 -7.919 -4.392 -0.146 200 HG SER 24 HG SER 24 -8.527 -4.477 -2.914 201 H GLN 25 H GLN 25 -9.808 -4.113 1.527 202 HA GLN 25 HA GLN 25 -11.395 -6.388 1.077 203 HB2 GLN 25 2HB GLN 25 -10.886 -4.771 3.576 204 HB3 GLN 25 1HB GLN 25 -11.778 -6.287 3.569 205 HG2 GLN 25 2HG GLN 25 -9.800 -7.430 2.675 206 HG3 GLN 25 1HG GLN 25 -8.911 -5.909 2.732 207 HE21 GLN 25 1HE2 GLN 25 -7.385 -6.728 4.152 208 HE22 GLN 25 2HE2 GLN 25 -7.738 -7.029 5.817 209 H LEU 26 H LEU 26 -12.175 -3.043 1.740 210 HA LEU 26 HA LEU 26 -14.956 -3.553 2.187 211 HB2 LEU 26 2HB LEU 26 -13.713 -0.891 1.568 212 HB3 LEU 26 1HB LEU 26 -15.193 -1.210 2.454 213 HG LEU 26 HG LEU 26 -12.507 -2.087 3.467 214 HD11 LEU 26 1HD1 LEU 26 -13.940 0.500 4.063 215 HD12 LEU 26 2HD1 LEU 26 -12.446 0.338 3.143 216 HD13 LEU 26 3HD1 LEU 26 -12.475 -0.079 4.856 217 HD21 LEU 26 3HD2 LEU 26 -15.143 -1.587 4.844 218 HD22 LEU 26 1HD2 LEU 26 -13.657 -2.141 5.614 219 HD23 LEU 26 2HD2 LEU 26 -14.476 -3.167 4.436 220 H ALA 27 H ALA 27 -12.903 -2.563 -0.455 221 HA ALA 27 HA ALA 27 -14.718 -1.568 -2.260 222 HB1 ALA 27 1HB ALA 27 -12.360 -3.339 -2.886 223 HB2 ALA 27 2HB ALA 27 -12.298 -1.595 -2.629 224 HB3 ALA 27 3HB ALA 27 -13.174 -2.253 -4.013 225 H GLU 28 H GLU 28 -13.967 -4.955 -1.574 226 HA GLU 28 HA GLU 28 -15.662 -5.976 -3.560 227 HB2 GLU 28 2HB GLU 28 -14.937 -8.054 -2.975 228 HB3 GLU 28 1HB GLU 28 -13.600 -7.053 -2.416 229 HG2 GLU 28 2HG GLU 28 -14.412 -7.100 -0.195 230 HG3 GLU 28 1HG GLU 28 -15.888 -7.896 -0.716 231 H LEU 29 H LEU 29 -16.091 -5.080 -0.247 232 HA LEU 29 HA LEU 29 -18.933 -5.677 -0.497 233 HB2 LEU 29 2HB LEU 29 -17.212 -7.327 0.959 234 HB3 LEU 29 1HB LEU 29 -18.005 -6.334 2.166 235 HG LEU 29 HG LEU 29 -19.204 -8.426 1.847 236 HD11 LEU 29 1HD1 LEU 29 -21.433 -7.527 1.392 237 HD12 LEU 29 2HD1 LEU 29 -20.708 -6.061 0.735 238 HD13 LEU 29 3HD1 LEU 29 -20.502 -6.457 2.441 239 HD21 LEU 29 3HD2 LEU 29 -18.540 -8.869 -0.459 240 HD22 LEU 29 1HD2 LEU 29 -19.543 -7.528 -1.012 241 HD23 LEU 29 2HD2 LEU 29 -20.292 -8.945 -0.276 242 H SER 30 H SER 30 -18.916 -3.342 -0.730 243 HA SER 30 HA SER 30 -17.979 -1.505 1.055 244 HB2 SER 30 2HB SER 30 -18.985 -0.874 -1.077 245 HB3 SER 30 1HB SER 30 -20.569 -1.393 -0.501 246 HG SER 30 HG SER 30 -20.768 0.539 0.271 247 H GLU 31 H GLU 31 -18.222 -1.458 3.188 248 HA GLU 31 HA GLU 31 -20.586 -2.552 4.452 249 HB2 GLU 31 2HB GLU 31 -18.112 -1.267 5.620 250 HB3 GLU 31 1HB GLU 31 -19.395 -2.003 6.564 251 HG2 GLU 31 2HG GLU 31 -17.549 -3.379 4.641 252 HG3 GLU 31 1HG GLU 31 -17.585 -3.527 6.396 253 H GLU 32 H GLU 32 -19.895 0.338 3.060 254 HA GLU 32 HA GLU 32 -20.815 2.221 4.948 255 HB2 GLU 32 2HB GLU 32 -20.876 2.336 1.928 256 HB3 GLU 32 1HB GLU 32 -21.140 3.707 2.997 257 HG2 GLU 32 2HG GLU 32 -18.868 3.438 3.880 258 HG3 GLU 32 1HG GLU 32 -18.608 2.096 2.767 259 H ALA 33 H ALA 33 -22.823 3.282 5.115 260 HA ALA 33 HA ALA 33 -25.122 2.274 3.691 261 HB1 ALA 33 1HB ALA 33 -24.917 1.821 6.667 262 HB2 ALA 33 2HB ALA 33 -24.850 0.568 5.427 263 HB3 ALA 33 3HB ALA 33 -26.329 1.499 5.661 264 H LEU 34 H LEU 34 -27.015 3.541 4.027 265 HA LEU 34 HA LEU 34 -26.700 5.947 5.663 266 HB2 LEU 34 2HB LEU 34 -25.935 6.408 3.312 267 HB3 LEU 34 1HB LEU 34 -27.568 6.058 2.777 268 HG LEU 34 HG LEU 34 -28.373 7.933 4.230 269 HD11 LEU 34 1HD1 LEU 34 -26.505 8.008 5.787 270 HD12 LEU 34 2HD1 LEU 34 -26.731 9.571 5.003 271 HD13 LEU 34 3HD1 LEU 34 -25.425 8.505 4.485 272 HD21 LEU 34 3HD2 LEU 34 -27.603 9.703 2.711 273 HD22 LEU 34 1HD2 LEU 34 -28.069 8.240 1.843 274 HD23 LEU 34 2HD2 LEU 34 -26.363 8.614 2.087 Start of MODEL 5 1 H1 MET 1 1HT MET 1 7.589 -15.067 -1.071 2 H2 MET 1 2HT MET 1 7.049 -15.388 0.499 3 H3 MET 1 3HT MET 1 8.597 -15.876 0.022 4 HA MET 1 HA MET 1 7.643 -13.089 0.322 5 HB2 MET 1 2HB MET 1 9.326 -12.989 2.131 6 HB3 MET 1 1HB MET 1 8.057 -14.158 2.461 7 HG2 MET 1 2HG MET 1 9.541 -15.964 1.741 8 HG3 MET 1 1HG MET 1 10.815 -14.785 1.434 9 HE1 MET 1 2HE MET 1 12.455 -16.207 2.970 10 HE2 MET 1 3HE MET 1 11.166 -17.367 3.290 11 HE3 MET 1 1HE MET 1 12.081 -16.675 4.629 12 H ASN 2 H ASN 2 8.966 -11.486 -0.409 13 HA ASN 2 HA ASN 2 11.099 -12.329 -2.228 14 HB2 ASN 2 2HB ASN 2 9.774 -9.623 -1.941 15 HB3 ASN 2 1HB ASN 2 10.904 -10.096 -3.203 16 HD21 ASN 2 1HD2 ASN 2 10.225 -11.483 -4.836 17 HD22 ASN 2 2HD2 ASN 2 8.553 -11.795 -5.138 18 H LYS 3 H LYS 3 13.192 -11.592 -2.077 19 HA LYS 3 HA LYS 3 13.994 -10.629 0.541 20 HB2 LYS 3 2HB LYS 3 15.638 -11.484 -1.848 21 HB3 LYS 3 1HB LYS 3 16.295 -11.054 -0.275 22 HG2 LYS 3 2HG LYS 3 15.096 -12.920 0.743 23 HG3 LYS 3 1HG LYS 3 14.428 -13.351 -0.832 24 HD2 LYS 3 2HD LYS 3 17.382 -13.230 -0.240 25 HD3 LYS 3 1HD LYS 3 16.418 -14.703 -0.117 26 HE2 LYS 3 2HE LYS 3 16.793 -13.029 -2.602 27 HE3 LYS 3 1HE LYS 3 17.582 -14.569 -2.264 28 HZ1 LYS 3 3HZ LYS 3 15.427 -15.643 -2.254 29 HZ2 LYS 3 1HZ LYS 3 15.666 -14.834 -3.720 30 HZ3 LYS 3 2HZ LYS 3 14.653 -14.168 -2.541 31 H LYS 4 H LYS 4 12.583 -8.680 -0.694 32 HA LYS 4 HA LYS 4 14.504 -6.551 -0.830 33 HB2 LYS 4 2HB LYS 4 14.424 -7.526 -3.179 34 HB3 LYS 4 1HB LYS 4 12.760 -6.964 -3.259 35 HG2 LYS 4 2HG LYS 4 14.184 -5.374 -4.348 36 HG3 LYS 4 1HG LYS 4 13.554 -4.659 -2.865 37 HD2 LYS 4 2HD LYS 4 15.886 -4.109 -3.052 38 HD3 LYS 4 1HD LYS 4 15.687 -5.267 -1.735 39 HE2 LYS 4 2HE LYS 4 16.428 -7.072 -3.174 40 HE3 LYS 4 1HE LYS 4 16.533 -5.969 -4.546 41 HZ1 LYS 4 3HZ LYS 4 18.274 -4.758 -3.411 42 HZ2 LYS 4 1HZ LYS 4 18.700 -6.391 -3.543 43 HZ3 LYS 4 2HZ LYS 4 18.156 -5.774 -2.065 44 H ASN 5 H ASN 5 12.371 -7.215 0.894 45 HA ASN 5 HA ASN 5 10.208 -5.376 0.225 46 HB2 ASN 5 2HB ASN 5 10.566 -7.269 2.558 47 HB3 ASN 5 1HB ASN 5 9.147 -6.259 2.295 48 HD21 ASN 5 1HD2 ASN 5 9.390 -9.163 2.434 49 HD22 ASN 5 2HD2 ASN 5 8.756 -9.764 0.944 50 H ILE 6 H ILE 6 13.175 -4.989 1.407 51 HA ILE 6 HA ILE 6 12.502 -3.229 3.630 52 HB ILE 6 HB ILE 6 15.205 -3.952 2.487 53 HG12 ILE 6 2HG1 ILE 6 13.855 -4.943 5.008 54 HG13 ILE 6 1HG1 ILE 6 13.939 -5.853 3.505 55 HG21 ILE 6 1HG2 ILE 6 16.108 -2.993 4.544 56 HG22 ILE 6 2HG2 ILE 6 14.482 -2.535 5.049 57 HG23 ILE 6 3HG2 ILE 6 15.204 -1.791 3.623 58 HD11 ILE 6 3HD1 ILE 6 16.393 -5.835 3.666 59 HD12 ILE 6 1HD1 ILE 6 15.623 -6.626 5.041 60 HD13 ILE 6 2HD1 ILE 6 16.264 -4.992 5.209 61 H LEU 7 H LEU 7 11.643 -1.364 2.870 62 HA LEU 7 HA LEU 7 12.744 -0.045 0.542 63 HB2 LEU 7 2HB LEU 7 10.505 0.642 2.437 64 HB3 LEU 7 1HB LEU 7 11.010 1.714 1.146 65 HG LEU 7 HG LEU 7 10.537 -0.213 -0.453 66 HD11 LEU 7 1HD1 LEU 7 10.486 -2.033 1.128 67 HD12 LEU 7 2HD1 LEU 7 8.904 -1.875 0.364 68 HD13 LEU 7 3HD1 LEU 7 9.154 -1.278 2.005 69 HD21 LEU 7 3HD2 LEU 7 8.131 0.261 -0.487 70 HD22 LEU 7 1HD2 LEU 7 9.088 1.727 -0.271 71 HD23 LEU 7 2HD2 LEU 7 8.260 1.003 1.108 72 HA PRO 8 HA PRO 8 15.381 2.714 2.757 73 HB2 PRO 8 2HB PRO 8 15.636 4.744 1.070 74 HB3 PRO 8 1HB PRO 8 16.240 3.132 0.673 75 HG2 PRO 8 2HG PRO 8 13.755 4.496 -0.221 76 HG3 PRO 8 1HG PRO 8 14.865 3.466 -1.132 77 HD2 PRO 8 2HD PRO 8 12.459 2.643 -0.037 78 HD3 PRO 8 1HD PRO 8 13.792 1.565 -0.496 79 H GLN 9 H GLN 9 15.239 5.594 2.302 80 HA GLN 9 HA GLN 9 13.577 6.281 4.471 81 HB2 GLN 9 2HB GLN 9 15.072 7.988 2.490 82 HB3 GLN 9 1HB GLN 9 14.244 8.624 3.899 83 HG2 GLN 9 2HG GLN 9 15.703 7.399 5.372 84 HG3 GLN 9 1HG GLN 9 16.482 6.620 3.996 85 HE21 GLN 9 1HE2 GLN 9 17.911 7.792 2.728 86 HE22 GLN 9 2HE2 GLN 9 18.578 9.300 3.238 87 H GLN 10 H GLN 10 12.698 5.457 1.564 88 HA GLN 10 HA GLN 10 10.900 7.488 0.743 89 HB2 GLN 10 2HB GLN 10 11.140 4.574 0.053 90 HB3 GLN 10 1HB GLN 10 9.876 5.594 -0.622 91 HG2 GLN 10 2HG GLN 10 12.846 5.887 -0.961 92 HG3 GLN 10 1HG GLN 10 11.648 5.496 -2.188 93 HE21 GLN 10 1HE2 GLN 10 10.308 7.116 -2.994 94 HE22 GLN 10 2HE2 GLN 10 10.675 8.791 -2.783 95 H GLY 11 H GLY 11 9.760 4.222 1.482 96 HA2 GLY 11 2HA GLY 11 8.039 3.475 2.814 97 HA3 GLY 11 1HA GLY 11 8.237 4.937 3.760 98 H GLN 12 H GLN 12 7.774 5.720 0.572 99 HA GLN 12 HA GLN 12 5.342 6.977 0.985 100 HB2 GLN 12 2HB GLN 12 7.219 6.608 -1.167 101 HB3 GLN 12 1HB GLN 12 5.568 6.612 -1.748 102 HG2 GLN 12 2HG GLN 12 6.822 8.746 -0.048 103 HG3 GLN 12 1HG GLN 12 6.588 8.838 -1.793 104 HE21 GLN 12 1HE2 GLN 12 3.995 7.476 -1.645 105 HE22 GLN 12 2HE2 GLN 12 2.881 8.646 -1.032 106 HA PRO 13 HA PRO 13 3.259 3.342 -1.368 107 HB2 PRO 13 2HB PRO 13 5.139 1.123 -1.377 108 HB3 PRO 13 1HB PRO 13 4.396 1.946 -2.750 109 HG2 PRO 13 2HG PRO 13 7.047 2.133 -2.185 110 HG3 PRO 13 1HG PRO 13 6.135 3.438 -2.966 111 HD2 PRO 13 2HD PRO 13 6.906 3.137 -0.078 112 HD3 PRO 13 1HD PRO 13 6.995 4.586 -1.107 113 H VAL 14 H VAL 14 5.032 3.132 1.485 114 HA VAL 14 HA VAL 14 3.806 0.742 2.513 115 HB VAL 14 HB VAL 14 5.233 2.950 4.016 116 HG11 VAL 14 1HG1 VAL 14 5.567 1.225 5.744 117 HG12 VAL 14 2HG1 VAL 14 4.561 0.118 4.809 118 HG13 VAL 14 3HG1 VAL 14 3.863 1.593 5.480 119 HG21 VAL 14 3HG2 VAL 14 6.681 1.974 2.321 120 HG22 VAL 14 1HG2 VAL 14 6.309 0.355 2.914 121 HG23 VAL 14 2HG2 VAL 14 7.198 1.486 3.935 122 H ILE 15 H ILE 15 3.051 4.082 2.265 123 HA ILE 15 HA ILE 15 0.979 4.000 4.301 124 HB ILE 15 HB ILE 15 1.621 6.230 2.373 125 HG12 ILE 15 2HG1 ILE 15 3.610 5.526 3.696 126 HG13 ILE 15 1HG1 ILE 15 3.084 7.164 4.045 127 HG21 ILE 15 1HG2 ILE 15 -0.528 6.479 3.422 128 HG22 ILE 15 2HG2 ILE 15 0.594 7.641 4.131 129 HG23 ILE 15 3HG2 ILE 15 0.169 6.174 5.013 130 HD11 ILE 15 3HD1 ILE 15 3.747 5.910 6.051 131 HD12 ILE 15 1HD1 ILE 15 2.451 4.757 5.734 132 HD13 ILE 15 2HD1 ILE 15 2.064 6.437 6.107 133 H ARG 16 H ARG 16 1.389 3.645 0.935 134 HA ARG 16 HA ARG 16 -1.393 4.050 0.256 135 HB2 ARG 16 2HB ARG 16 0.479 2.676 -1.600 136 HB3 ARG 16 1HB ARG 16 -0.738 3.894 -1.944 137 HG2 ARG 16 2HG ARG 16 0.729 5.580 -0.868 138 HG3 ARG 16 1HG ARG 16 1.963 4.323 -0.725 139 HD2 ARG 16 2HD ARG 16 0.712 5.279 -3.294 140 HD3 ARG 16 1HD ARG 16 2.311 5.736 -2.704 141 HE ARG 16 HE ARG 16 2.436 3.039 -2.778 142 HH11 ARG 16 1HH1 ARG 16 1.490 5.443 -5.116 143 HH12 ARG 16 2HH1 ARG 16 1.990 4.500 -6.479 144 HH21 ARG 16 1HH2 ARG 16 3.100 1.791 -4.567 145 HH22 ARG 16 2HH2 ARG 16 2.907 2.425 -6.168 146 H LEU 17 H LEU 17 0.899 1.473 0.672 147 HA LEU 17 HA LEU 17 -0.794 -0.674 -0.062 148 HB2 LEU 17 2HB LEU 17 1.762 -0.660 0.217 149 HB3 LEU 17 1HB LEU 17 1.453 -0.867 1.929 150 HG LEU 17 HG LEU 17 0.208 -2.964 1.405 151 HD11 LEU 17 1HD1 LEU 17 0.527 -3.977 -0.802 152 HD12 LEU 17 2HD1 LEU 17 1.305 -2.498 -1.365 153 HD13 LEU 17 3HD1 LEU 17 -0.396 -2.477 -0.896 154 HD21 LEU 17 3HD2 LEU 17 3.073 -2.843 0.473 155 HD22 LEU 17 1HD2 LEU 17 2.208 -4.302 0.958 156 HD23 LEU 17 2HD2 LEU 17 2.527 -3.031 2.139 157 H THR 18 H THR 18 -0.136 0.920 3.017 158 HA THR 18 HA THR 18 -1.469 -0.854 4.710 159 HB THR 18 HB THR 18 -1.037 2.125 4.918 160 HG1 THR 18 1HG THR 18 0.795 1.578 5.938 161 HG21 THR 18 3HG2 THR 18 -2.904 1.496 6.332 162 HG22 THR 18 1HG2 THR 18 -1.490 1.858 7.318 163 HG23 THR 18 2HG2 THR 18 -1.959 0.183 7.030 164 H ALA 19 H ALA 19 -2.682 2.364 3.808 165 HA ALA 19 HA ALA 19 -5.362 1.723 4.408 166 HB1 ALA 19 1HB ALA 19 -4.298 3.986 2.724 167 HB2 ALA 19 2HB ALA 19 -4.504 4.016 4.476 168 HB3 ALA 19 3HB ALA 19 -5.914 3.883 3.424 169 H GLY 20 H GLY 20 -3.435 0.928 1.776 170 HA2 GLY 20 2HA GLY 20 -5.473 0.935 -0.218 171 HA3 GLY 20 1HA GLY 20 -3.878 0.241 -0.383 172 H GLN 21 H GLN 21 -4.045 -1.440 1.899 173 HA GLN 21 HA GLN 21 -5.275 -3.714 0.732 174 HB2 GLN 21 2HB GLN 21 -3.286 -3.830 2.200 175 HB3 GLN 21 1HB GLN 21 -4.278 -3.336 3.563 176 HG2 GLN 21 2HG GLN 21 -5.620 -5.364 3.322 177 HG3 GLN 21 1HG GLN 21 -4.619 -5.860 1.958 178 HE21 GLN 21 1HE2 GLN 21 -5.102 -7.177 4.522 179 HE22 GLN 21 2HE2 GLN 21 -3.548 -7.398 5.244 180 H LEU 22 H LEU 22 -6.108 -1.674 3.505 181 HA LEU 22 HA LEU 22 -8.443 -3.101 4.231 182 HB2 LEU 22 2HB LEU 22 -7.772 -0.209 4.768 183 HB3 LEU 22 1HB LEU 22 -8.927 -1.192 5.641 184 HG LEU 22 HG LEU 22 -5.956 -1.710 5.582 185 HD11 LEU 22 1HD1 LEU 22 -6.474 0.394 6.713 186 HD12 LEU 22 2HD1 LEU 22 -5.928 -0.837 7.853 187 HD13 LEU 22 3HD1 LEU 22 -7.643 -0.443 7.734 188 HD21 LEU 22 3HD2 LEU 22 -8.157 -2.892 7.272 189 HD22 LEU 22 1HD2 LEU 22 -6.433 -3.228 7.439 190 HD23 LEU 22 2HD2 LEU 22 -7.289 -3.713 5.975 191 H SER 23 H SER 23 -7.989 -0.062 2.414 192 HA SER 23 HA SER 23 -10.716 0.295 1.883 193 HB2 SER 23 2HB SER 23 -9.154 2.159 1.773 194 HB3 SER 23 1HB SER 23 -8.354 1.396 0.408 195 HG SER 23 HG SER 23 -10.680 2.842 0.491 196 H SER 24 H SER 24 -8.832 -2.085 0.877 197 HA SER 24 HA SER 24 -9.943 -2.316 -1.802 198 HB2 SER 24 2HB SER 24 -7.544 -2.813 -1.507 199 HB3 SER 24 1HB SER 24 -7.959 -4.088 -0.366 200 HG SER 24 HG SER 24 -8.789 -5.290 -1.982 201 H GLN 25 H GLN 25 -9.861 -3.948 1.304 202 HA GLN 25 HA GLN 25 -11.475 -6.142 0.695 203 HB2 GLN 25 2HB GLN 25 -11.184 -4.636 3.305 204 HB3 GLN 25 1HB GLN 25 -11.908 -6.232 3.138 205 HG2 GLN 25 2HG GLN 25 -9.733 -7.038 2.229 206 HG3 GLN 25 1HG GLN 25 -9.050 -5.462 2.616 207 HE21 GLN 25 1HE2 GLN 25 -10.675 -5.205 5.041 208 HE22 GLN 25 2HE2 GLN 25 -9.949 -6.250 6.209 209 H LEU 26 H LEU 26 -12.239 -2.810 1.197 210 HA LEU 26 HA LEU 26 -15.017 -3.201 1.716 211 HB2 LEU 26 2HB LEU 26 -13.711 -0.670 0.755 212 HB3 LEU 26 1HB LEU 26 -15.208 -0.829 1.655 213 HG LEU 26 HG LEU 26 -12.533 -1.602 2.782 214 HD11 LEU 26 1HD1 LEU 26 -12.506 0.774 2.213 215 HD12 LEU 26 2HD1 LEU 26 -12.548 0.537 3.960 216 HD13 LEU 26 3HD1 LEU 26 -14.013 1.006 3.099 217 HD21 LEU 26 3HD2 LEU 26 -15.200 -1.037 4.070 218 HD22 LEU 26 1HD2 LEU 26 -13.707 -1.424 4.925 219 HD23 LEU 26 2HD2 LEU 26 -14.455 -2.623 3.870 220 H ALA 27 H ALA 27 -13.024 -2.441 -1.071 221 HA ALA 27 HA ALA 27 -14.914 -1.711 -2.926 222 HB1 ALA 27 1HB ALA 27 -13.363 -2.481 -4.636 223 HB2 ALA 27 2HB ALA 27 -12.475 -3.409 -3.427 224 HB3 ALA 27 3HB ALA 27 -12.506 -1.648 -3.339 225 H GLU 28 H GLU 28 -14.515 -4.771 -1.449 226 HA GLU 28 HA GLU 28 -16.238 -6.000 -3.392 227 HB2 GLU 28 2HB GLU 28 -15.405 -8.150 -2.147 228 HB3 GLU 28 1HB GLU 28 -14.459 -7.405 -3.434 229 HG2 GLU 28 2HG GLU 28 -13.322 -6.080 -1.673 230 HG3 GLU 28 1HG GLU 28 -14.109 -7.111 -0.488 231 H LEU 29 H LEU 29 -15.637 -5.700 0.050 232 HA LEU 29 HA LEU 29 -18.469 -6.300 0.530 233 HB2 LEU 29 2HB LEU 29 -16.080 -7.424 1.940 234 HB3 LEU 29 1HB LEU 29 -17.634 -7.314 2.746 235 HG LEU 29 HG LEU 29 -18.484 -8.573 0.595 236 HD11 LEU 29 1HD1 LEU 29 -16.818 -10.172 -0.226 237 HD12 LEU 29 2HD1 LEU 29 -15.575 -9.344 0.713 238 HD13 LEU 29 3HD1 LEU 29 -16.390 -8.505 -0.607 239 HD21 LEU 29 3HD2 LEU 29 -16.959 -9.925 2.813 240 HD22 LEU 29 1HD2 LEU 29 -18.165 -10.684 1.773 241 HD23 LEU 29 2HD2 LEU 29 -18.638 -9.393 2.878 242 H SER 30 H SER 30 -17.964 -3.772 0.289 243 HA SER 30 HA SER 30 -16.850 -2.323 2.332 244 HB2 SER 30 2HB SER 30 -17.614 -1.319 0.224 245 HB3 SER 30 1HB SER 30 -19.289 -1.599 0.697 246 HG SER 30 HG SER 30 -19.206 0.178 1.793 247 H GLU 31 H GLU 31 -17.352 -1.992 4.415 248 HA GLU 31 HA GLU 31 -20.054 -2.753 5.316 249 HB2 GLU 31 2HB GLU 31 -17.430 -2.936 6.807 250 HB3 GLU 31 1HB GLU 31 -19.005 -3.267 7.510 251 HG2 GLU 31 2HG GLU 31 -19.329 -5.158 6.162 252 HG3 GLU 31 1HG GLU 31 -17.962 -4.750 5.128 253 H GLU 32 H GLU 32 -19.075 -0.116 4.390 254 HA GLU 32 HA GLU 32 -19.306 1.431 6.878 255 HB2 GLU 32 2HB GLU 32 -18.445 3.333 5.576 256 HB3 GLU 32 1HB GLU 32 -17.338 1.967 5.550 257 HG2 GLU 32 2HG GLU 32 -18.123 1.360 3.328 258 HG3 GLU 32 1HG GLU 32 -19.253 2.712 3.352 259 H ALA 33 H ALA 33 -21.060 0.421 4.183 260 HA ALA 33 HA ALA 33 -23.050 2.558 4.605 261 HB1 ALA 33 1HB ALA 33 -23.749 2.274 2.287 262 HB2 ALA 33 2HB ALA 33 -22.525 1.024 2.060 263 HB3 ALA 33 3HB ALA 33 -22.037 2.689 2.380 264 H LEU 34 H LEU 34 -25.147 1.974 4.951 265 HA LEU 34 HA LEU 34 -26.030 -0.743 4.524 266 HB2 LEU 34 2HB LEU 34 -24.801 -0.380 6.871 267 HB3 LEU 34 1HB LEU 34 -26.395 0.193 7.321 268 HG LEU 34 HG LEU 34 -26.125 -2.147 7.915 269 HD11 LEU 34 1HD1 LEU 34 -28.095 -3.063 6.817 270 HD12 LEU 34 2HD1 LEU 34 -28.009 -1.801 5.588 271 HD13 LEU 34 3HD1 LEU 34 -28.347 -1.375 7.264 272 HD21 LEU 34 3HD2 LEU 34 -25.843 -3.862 6.191 273 HD22 LEU 34 1HD2 LEU 34 -24.459 -2.770 6.255 274 HD23 LEU 34 2HD2 LEU 34 -25.656 -2.603 4.971 Start of MODEL 6 1 H1 MET 1 1HT MET 1 19.709 11.958 19.855 2 H2 MET 1 2HT MET 1 19.727 11.075 18.412 3 H3 MET 1 3HT MET 1 20.840 10.719 19.635 4 HA MET 1 HA MET 1 19.085 9.078 19.570 5 HB2 MET 1 2HB MET 1 19.037 10.907 21.978 6 HB3 MET 1 1HB MET 1 18.373 9.279 21.954 7 HG2 MET 1 2HG MET 1 20.567 8.354 21.535 8 HG3 MET 1 1HG MET 1 21.258 9.973 21.446 9 HE1 MET 1 2HE MET 1 19.510 7.327 23.771 10 HE2 MET 1 3HE MET 1 18.487 8.750 23.961 11 HE3 MET 1 1HE MET 1 19.471 8.185 25.311 12 H ASN 2 H ASN 2 17.504 9.511 17.984 13 HA ASN 2 HA ASN 2 15.038 10.633 19.096 14 HB2 ASN 2 2HB ASN 2 16.100 12.403 17.726 15 HB3 ASN 2 1HB ASN 2 16.090 11.315 16.341 16 HD21 ASN 2 1HD2 ASN 2 14.184 13.302 18.443 17 HD22 ASN 2 2HD2 ASN 2 12.742 13.286 17.492 18 H LYS 3 H LYS 3 13.099 9.905 17.998 19 HA LYS 3 HA LYS 3 13.138 7.160 17.424 20 HB2 LYS 3 2HB LYS 3 10.767 7.541 16.651 21 HB3 LYS 3 1HB LYS 3 11.129 8.095 18.279 22 HG2 LYS 3 2HG LYS 3 11.412 10.394 17.356 23 HG3 LYS 3 1HG LYS 3 10.841 9.779 15.802 24 HD2 LYS 3 2HD LYS 3 8.742 9.076 16.865 25 HD3 LYS 3 1HD LYS 3 9.314 9.719 18.406 26 HE2 LYS 3 2HE LYS 3 9.468 11.957 17.372 27 HE3 LYS 3 1HE LYS 3 8.808 11.289 15.880 28 HZ1 LYS 3 3HZ LYS 3 6.802 10.676 17.110 29 HZ2 LYS 3 1HZ LYS 3 7.081 12.344 17.169 30 HZ3 LYS 3 2HZ LYS 3 7.435 11.379 18.512 31 H LYS 4 H LYS 4 12.566 9.905 15.212 32 HA LYS 4 HA LYS 4 12.867 10.148 12.974 33 HB2 LYS 4 2HB LYS 4 14.790 7.842 13.332 34 HB3 LYS 4 1HB LYS 4 14.684 8.861 11.904 35 HG2 LYS 4 2HG LYS 4 15.374 9.848 14.664 36 HG3 LYS 4 1HG LYS 4 16.548 9.463 13.403 37 HD2 LYS 4 2HD LYS 4 15.511 11.165 11.953 38 HD3 LYS 4 1HD LYS 4 14.392 11.570 13.256 39 HE2 LYS 4 2HE LYS 4 16.281 12.207 14.676 40 HE3 LYS 4 1HE LYS 4 17.398 11.802 13.374 41 HZ1 LYS 4 3HZ LYS 4 15.315 13.918 13.278 42 HZ2 LYS 4 1HZ LYS 4 16.376 13.526 12.018 43 HZ3 LYS 4 2HZ LYS 4 16.977 14.173 13.460 44 H ASN 5 H ASN 5 10.998 9.676 11.991 45 HA ASN 5 HA ASN 5 10.608 6.910 11.084 46 HB2 ASN 5 2HB ASN 5 8.531 8.747 12.280 47 HB3 ASN 5 1HB ASN 5 8.133 7.284 11.387 48 HD21 ASN 5 1HD2 ASN 5 8.572 5.283 12.290 49 HD22 ASN 5 2HD2 ASN 5 8.931 5.087 13.968 50 H ILE 6 H ILE 6 11.306 9.875 10.119 51 HA ILE 6 HA ILE 6 9.399 10.227 7.983 52 HB ILE 6 HB ILE 6 12.028 11.653 8.408 53 HG12 ILE 6 2HG1 ILE 6 9.256 12.489 9.297 54 HG13 ILE 6 1HG1 ILE 6 10.482 11.813 10.365 55 HG21 ILE 6 1HG2 ILE 6 11.016 13.407 7.033 56 HG22 ILE 6 2HG2 ILE 6 9.576 12.410 6.824 57 HG23 ILE 6 3HG2 ILE 6 11.121 11.880 6.158 58 HD11 ILE 6 3HD1 ILE 6 10.689 14.396 8.836 59 HD12 ILE 6 1HD1 ILE 6 11.940 13.716 9.878 60 HD13 ILE 6 2HD1 ILE 6 10.396 14.220 10.568 61 H LEU 7 H LEU 7 9.680 9.807 5.836 62 HA LEU 7 HA LEU 7 12.239 8.853 4.851 63 HB2 LEU 7 2HB LEU 7 9.858 7.121 5.249 64 HB3 LEU 7 1HB LEU 7 10.771 6.902 3.768 65 HG LEU 7 HG LEU 7 12.157 6.870 6.424 66 HD11 LEU 7 1HD1 LEU 7 10.828 4.526 5.071 67 HD12 LEU 7 2HD1 LEU 7 10.336 5.257 6.599 68 HD13 LEU 7 3HD1 LEU 7 11.893 4.439 6.474 69 HD21 LEU 7 3HD2 LEU 7 12.743 5.591 3.759 70 HD22 LEU 7 1HD2 LEU 7 13.740 5.456 5.208 71 HD23 LEU 7 2HD2 LEU 7 13.532 7.022 4.424 72 HA PRO 8 HA PRO 8 10.800 10.851 1.189 73 HB2 PRO 8 2HB PRO 8 12.387 9.772 -0.670 74 HB3 PRO 8 1HB PRO 8 12.996 10.879 0.564 75 HG2 PRO 8 2HG PRO 8 13.130 7.908 0.452 76 HG3 PRO 8 1HG PRO 8 14.361 9.073 0.954 77 HD2 PRO 8 2HD PRO 8 12.799 7.651 2.695 78 HD3 PRO 8 1HD PRO 8 13.532 9.221 3.077 79 H GLN 9 H GLN 9 11.125 9.385 -1.363 80 HA GLN 9 HA GLN 9 8.505 8.357 -1.546 81 HB2 GLN 9 2HB GLN 9 10.758 8.144 -3.536 82 HB3 GLN 9 1HB GLN 9 9.056 7.893 -3.874 83 HG2 GLN 9 2HG GLN 9 8.612 10.243 -3.295 84 HG3 GLN 9 1HG GLN 9 10.341 10.478 -3.044 85 HE21 GLN 9 1HE2 GLN 9 7.822 9.984 -5.377 86 HE22 GLN 9 2HE2 GLN 9 8.756 10.381 -6.775 87 H GLN 10 H GLN 10 11.008 7.057 -0.148 88 HA GLN 10 HA GLN 10 11.040 4.397 -1.184 89 HB2 GLN 10 2HB GLN 10 12.054 5.503 1.439 90 HB3 GLN 10 1HB GLN 10 12.356 3.872 0.858 91 HG2 GLN 10 2HG GLN 10 13.585 4.736 -1.037 92 HG3 GLN 10 1HG GLN 10 13.218 6.390 -0.549 93 HE21 GLN 10 1HE2 GLN 10 15.799 5.092 -0.919 94 HE22 GLN 10 2HE2 GLN 10 16.629 5.232 0.589 95 H GLY 11 H GLY 11 9.851 5.752 1.897 96 HA2 GLY 11 2HA GLY 11 8.268 3.346 2.352 97 HA3 GLY 11 1HA GLY 11 8.503 4.669 3.480 98 H GLN 12 H GLN 12 7.777 5.894 0.498 99 HA GLN 12 HA GLN 12 5.366 7.014 1.244 100 HB2 GLN 12 2HB GLN 12 7.051 6.933 -1.094 101 HB3 GLN 12 1HB GLN 12 5.355 6.984 -1.518 102 HG2 GLN 12 2HG GLN 12 6.815 8.938 0.235 103 HG3 GLN 12 1HG GLN 12 6.279 9.216 -1.421 104 HE21 GLN 12 1HE2 GLN 12 5.624 10.672 1.014 105 HE22 GLN 12 2HE2 GLN 12 3.904 10.617 1.160 106 HA PRO 13 HA PRO 13 3.167 3.627 -1.397 107 HB2 PRO 13 2HB PRO 13 5.109 1.449 -1.633 108 HB3 PRO 13 1HB PRO 13 4.228 2.297 -2.907 109 HG2 PRO 13 2HG PRO 13 6.889 2.594 -2.572 110 HG3 PRO 13 1HG PRO 13 5.857 3.923 -3.134 111 HD2 PRO 13 2HD PRO 13 6.898 3.384 -0.366 112 HD3 PRO 13 1HD PRO 13 6.866 4.923 -1.256 113 H VAL 14 H VAL 14 5.016 3.233 1.380 114 HA VAL 14 HA VAL 14 3.815 0.758 2.250 115 HB VAL 14 HB VAL 14 5.341 2.798 3.889 116 HG11 VAL 14 1HG1 VAL 14 5.740 0.906 5.409 117 HG12 VAL 14 2HG1 VAL 14 4.701 -0.105 4.405 118 HG13 VAL 14 3HG1 VAL 14 4.025 1.285 5.254 119 HG21 VAL 14 3HG2 VAL 14 6.689 1.993 2.018 120 HG22 VAL 14 1HG2 VAL 14 6.351 0.326 2.483 121 HG23 VAL 14 2HG2 VAL 14 7.294 1.364 3.550 122 H ILE 15 H ILE 15 3.089 4.105 2.282 123 HA ILE 15 HA ILE 15 1.106 3.895 4.401 124 HB ILE 15 HB ILE 15 1.630 6.271 2.623 125 HG12 ILE 15 2HG1 ILE 15 3.745 5.484 3.662 126 HG13 ILE 15 1HG1 ILE 15 3.249 7.067 4.236 127 HG21 ILE 15 1HG2 ILE 15 0.778 7.532 4.558 128 HG22 ILE 15 2HG2 ILE 15 0.485 6.011 5.401 129 HG23 ILE 15 3HG2 ILE 15 -0.406 6.389 3.927 130 HD11 ILE 15 3HD1 ILE 15 2.866 4.470 5.706 131 HD12 ILE 15 1HD1 ILE 15 2.408 6.070 6.291 132 HD13 ILE 15 2HD1 ILE 15 4.109 5.677 6.039 133 H ARG 16 H ARG 16 1.384 3.749 1.014 134 HA ARG 16 HA ARG 16 -1.419 4.227 0.467 135 HB2 ARG 16 2HB ARG 16 0.381 2.964 -1.540 136 HB3 ARG 16 1HB ARG 16 -0.849 4.197 -1.766 137 HG2 ARG 16 2HG ARG 16 0.662 5.815 -0.630 138 HG3 ARG 16 1HG ARG 16 1.900 4.557 -0.636 139 HD2 ARG 16 2HD ARG 16 0.528 5.673 -3.077 140 HD3 ARG 16 1HD ARG 16 2.141 6.124 -2.525 141 HE ARG 16 HE ARG 16 2.138 3.370 -2.817 142 HH11 ARG 16 1HH1 ARG 16 1.696 6.171 -4.841 143 HH12 ARG 16 2HH1 ARG 16 2.307 5.397 -6.265 144 HH21 ARG 16 1HH2 ARG 16 2.939 2.342 -4.688 145 HH22 ARG 16 2HH2 ARG 16 3.013 3.221 -6.179 146 H LEU 17 H LEU 17 0.878 1.624 0.607 147 HA LEU 17 HA LEU 17 -0.835 -0.480 -0.173 148 HB2 LEU 17 2HB LEU 17 1.698 -0.533 -0.007 149 HB3 LEU 17 1HB LEU 17 1.498 -0.709 1.725 150 HG LEU 17 HG LEU 17 0.142 -2.794 1.245 151 HD11 LEU 17 1HD1 LEU 17 -0.361 -2.321 -1.095 152 HD12 LEU 17 2HD1 LEU 17 0.482 -3.859 -0.920 153 HD13 LEU 17 3HD1 LEU 17 1.353 -2.437 -1.493 154 HD21 LEU 17 3HD2 LEU 17 2.429 -2.896 2.061 155 HD22 LEU 17 1HD2 LEU 17 3.041 -2.738 0.414 156 HD23 LEU 17 2HD2 LEU 17 2.135 -4.176 0.884 157 H THR 18 H THR 18 -0.115 0.972 2.959 158 HA THR 18 HA THR 18 -1.409 -0.875 4.602 159 HB THR 18 HB THR 18 -1.023 2.101 4.940 160 HG1 THR 18 1HG THR 18 0.424 0.323 6.478 161 HG21 THR 18 3HG2 THR 18 -1.358 1.661 7.349 162 HG22 THR 18 1HG2 THR 18 -1.837 0.012 6.954 163 HG23 THR 18 2HG2 THR 18 -2.809 1.371 6.389 164 H ALA 19 H ALA 19 -2.650 2.381 3.878 165 HA ALA 19 HA ALA 19 -5.307 1.766 4.522 166 HB1 ALA 19 1HB ALA 19 -4.269 3.950 2.723 167 HB2 ALA 19 2HB ALA 19 -4.486 4.057 4.470 168 HB3 ALA 19 3HB ALA 19 -5.889 3.874 3.416 169 H GLY 20 H GLY 20 -3.455 1.016 1.789 170 HA2 GLY 20 2HA GLY 20 -5.524 0.884 -0.132 171 HA3 GLY 20 1HA GLY 20 -3.949 0.138 -0.272 172 H GLN 21 H GLN 21 -3.948 -1.529 1.871 173 HA GLN 21 HA GLN 21 -5.308 -3.780 0.914 174 HB2 GLN 21 2HB GLN 21 -3.281 -3.790 2.394 175 HB3 GLN 21 1HB GLN 21 -4.324 -3.351 3.739 176 HG2 GLN 21 2HG GLN 21 -5.549 -5.418 3.516 177 HG3 GLN 21 1HG GLN 21 -4.610 -5.851 2.088 178 HE21 GLN 21 1HE2 GLN 21 -3.863 -7.748 3.016 179 HE22 GLN 21 2HE2 GLN 21 -2.679 -7.759 4.274 180 H LEU 22 H LEU 22 -6.092 -1.521 3.510 181 HA LEU 22 HA LEU 22 -8.393 -2.864 4.444 182 HB2 LEU 22 2HB LEU 22 -7.632 0.055 4.592 183 HB3 LEU 22 1HB LEU 22 -8.942 -0.682 5.489 184 HG LEU 22 HG LEU 22 -6.029 -1.414 5.784 185 HD11 LEU 22 1HD1 LEU 22 -6.474 0.841 6.592 186 HD12 LEU 22 2HD1 LEU 22 -6.167 -0.261 7.933 187 HD13 LEU 22 3HD1 LEU 22 -7.818 0.238 7.563 188 HD21 LEU 22 3HD2 LEU 22 -6.783 -2.642 7.760 189 HD22 LEU 22 1HD2 LEU 22 -7.532 -3.265 6.290 190 HD23 LEU 22 2HD2 LEU 22 -8.456 -2.231 7.380 191 H SER 23 H SER 23 -8.001 -0.097 2.230 192 HA SER 23 HA SER 23 -10.746 0.113 1.664 193 HB2 SER 23 2HB SER 23 -9.253 2.014 1.369 194 HB3 SER 23 1HB SER 23 -8.402 1.138 0.105 195 HG SER 23 HG SER 23 -9.827 2.392 -0.965 196 H SER 24 H SER 24 -8.775 -2.303 0.940 197 HA SER 24 HA SER 24 -9.864 -2.833 -1.708 198 HB2 SER 24 2HB SER 24 -7.657 -4.159 -0.140 199 HB3 SER 24 1HB SER 24 -8.270 -4.804 -1.661 200 HG SER 24 HG SER 24 -7.630 -2.894 -2.676 201 H GLN 25 H GLN 25 -9.793 -4.103 1.562 202 HA GLN 25 HA GLN 25 -11.278 -6.452 1.025 203 HB2 GLN 25 2HB GLN 25 -10.770 -4.898 3.562 204 HB3 GLN 25 1HB GLN 25 -11.701 -6.391 3.531 205 HG2 GLN 25 2HG GLN 25 -9.737 -7.545 2.570 206 HG3 GLN 25 1HG GLN 25 -8.818 -6.051 2.739 207 HE21 GLN 25 1HE2 GLN 25 -10.132 -5.349 5.254 208 HE22 GLN 25 2HE2 GLN 25 -9.447 -6.385 6.455 209 H LEU 26 H LEU 26 -12.113 -3.139 1.518 210 HA LEU 26 HA LEU 26 -14.889 -3.677 2.038 211 HB2 LEU 26 2HB LEU 26 -13.689 -1.010 1.362 212 HB3 LEU 26 1HB LEU 26 -15.155 -1.338 2.268 213 HG LEU 26 HG LEU 26 -12.444 -2.148 3.266 214 HD11 LEU 26 1HD1 LEU 26 -12.393 0.255 2.934 215 HD12 LEU 26 2HD1 LEU 26 -12.489 -0.115 4.655 216 HD13 LEU 26 3HD1 LEU 26 -13.925 0.426 3.788 217 HD21 LEU 26 3HD2 LEU 26 -14.367 -3.261 4.281 218 HD22 LEU 26 1HD2 LEU 26 -15.077 -1.692 4.661 219 HD23 LEU 26 2HD2 LEU 26 -13.570 -2.186 5.430 220 H ALA 27 H ALA 27 -12.830 -2.898 -0.633 221 HA ALA 27 HA ALA 27 -14.588 -1.886 -2.488 222 HB1 ALA 27 1HB ALA 27 -12.178 -2.098 -2.869 223 HB2 ALA 27 2HB ALA 27 -13.109 -2.773 -4.206 224 HB3 ALA 27 3HB ALA 27 -12.359 -3.845 -3.024 225 H GLU 28 H GLU 28 -14.069 -5.259 -1.575 226 HA GLU 28 HA GLU 28 -15.750 -6.377 -3.482 227 HB2 GLU 28 2HB GLU 28 -15.336 -8.405 -2.509 228 HB3 GLU 28 1HB GLU 28 -13.931 -7.469 -2.004 229 HG2 GLU 28 2HG GLU 28 -14.882 -7.060 0.115 230 HG3 GLU 28 1HG GLU 28 -16.410 -7.755 -0.394 231 H LEU 29 H LEU 29 -16.333 -4.992 -0.363 232 HA LEU 29 HA LEU 29 -19.206 -5.346 -0.794 233 HB2 LEU 29 2HB LEU 29 -17.758 -6.780 1.116 234 HB3 LEU 29 1HB LEU 29 -18.531 -5.494 2.021 235 HG LEU 29 HG LEU 29 -19.906 -7.495 2.044 236 HD11 LEU 29 1HD1 LEU 29 -21.029 -5.324 2.064 237 HD12 LEU 29 2HD1 LEU 29 -21.999 -6.547 1.242 238 HD13 LEU 29 3HD1 LEU 29 -21.110 -5.348 0.303 239 HD21 LEU 29 3HD2 LEU 29 -19.152 -8.521 -0.017 240 HD22 LEU 29 1HD2 LEU 29 -19.902 -7.234 -0.960 241 HD23 LEU 29 2HD2 LEU 29 -20.907 -8.349 -0.034 242 H SER 30 H SER 30 -18.605 -3.083 -1.532 243 HA SER 30 HA SER 30 -17.743 -1.026 -0.004 244 HB2 SER 30 2HB SER 30 -18.367 -0.767 -2.356 245 HB3 SER 30 1HB SER 30 -20.069 -0.951 -1.936 246 HG SER 30 HG SER 30 -18.617 1.266 -1.942 247 H GLU 31 H GLU 31 -21.040 -2.322 -0.063 248 HA GLU 31 HA GLU 31 -22.126 -0.492 1.778 249 HB2 GLU 31 2HB GLU 31 -23.017 -3.315 1.166 250 HB3 GLU 31 1HB GLU 31 -23.977 -2.094 1.984 251 HG2 GLU 31 2HG GLU 31 -23.058 -2.080 -0.869 252 HG3 GLU 31 1HG GLU 31 -24.705 -2.225 -0.260 253 H GLU 32 H GLU 32 -20.921 -0.250 3.611 254 HA GLU 32 HA GLU 32 -19.686 -2.266 5.087 255 HB2 GLU 32 2HB GLU 32 -20.792 0.371 6.073 256 HB3 GLU 32 1HB GLU 32 -19.648 -0.641 6.943 257 HG2 GLU 32 2HG GLU 32 -18.011 -0.333 5.160 258 HG3 GLU 32 1HG GLU 32 -19.158 0.680 4.283 259 H ALA 33 H ALA 33 -22.999 -1.200 5.032 260 HA ALA 33 HA ALA 33 -23.854 -2.286 7.485 261 HB1 ALA 33 1HB ALA 33 -26.107 -2.138 6.563 262 HB2 ALA 33 2HB ALA 33 -25.440 -1.890 4.948 263 HB3 ALA 33 3HB ALA 33 -25.183 -0.679 6.205 264 H LEU 34 H LEU 34 -23.478 -4.349 8.011 265 HA LEU 34 HA LEU 34 -24.527 -6.425 6.238 266 HB2 LEU 34 2HB LEU 34 -22.080 -6.190 5.816 267 HB3 LEU 34 1HB LEU 34 -21.791 -6.591 7.499 268 HG LEU 34 HG LEU 34 -22.885 -8.799 7.109 269 HD11 LEU 34 1HD1 LEU 34 -22.819 -7.914 4.227 270 HD12 LEU 34 2HD1 LEU 34 -24.260 -8.211 5.198 271 HD13 LEU 34 3HD1 LEU 34 -23.182 -9.546 4.790 272 HD21 LEU 34 3HD2 LEU 34 -20.509 -8.146 5.370 273 HD22 LEU 34 1HD2 LEU 34 -21.001 -9.765 5.867 274 HD23 LEU 34 2HD2 LEU 34 -20.466 -8.596 7.074 Start of MODEL 7 1 H1 MET 1 1HT MET 1 6.402 1.991 17.994 2 H2 MET 1 2HT MET 1 7.520 2.913 18.865 3 H3 MET 1 3HT MET 1 6.935 1.464 19.512 4 HA MET 1 HA MET 1 9.162 1.167 18.681 5 HB2 MET 1 2HB MET 1 7.543 -0.698 18.557 6 HB3 MET 1 1HB MET 1 7.082 -0.179 16.942 7 HG2 MET 1 2HG MET 1 9.334 -0.630 16.139 8 HG3 MET 1 1HG MET 1 9.824 -1.114 17.762 9 HE1 MET 1 2HE MET 1 8.894 -3.271 19.007 10 HE2 MET 1 3HE MET 1 7.682 -4.349 18.317 11 HE3 MET 1 1HE MET 1 7.243 -2.700 18.762 12 H ASN 2 H ASN 2 10.694 1.426 17.094 13 HA ASN 2 HA ASN 2 9.850 2.846 14.658 14 HB2 ASN 2 2HB ASN 2 12.312 3.473 16.302 15 HB3 ASN 2 1HB ASN 2 11.817 4.283 14.818 16 HD21 ASN 2 1HD2 ASN 2 12.262 5.349 17.502 17 HD22 ASN 2 2HD2 ASN 2 10.786 6.125 17.955 18 H LYS 3 H LYS 3 10.052 1.107 13.298 19 HA LYS 3 HA LYS 3 12.721 -0.127 13.129 20 HB2 LYS 3 2HB LYS 3 10.027 -1.215 12.303 21 HB3 LYS 3 1HB LYS 3 11.558 -2.005 11.954 22 HG2 LYS 3 2HG LYS 3 10.491 -1.410 14.708 23 HG3 LYS 3 1HG LYS 3 10.432 -2.976 13.897 24 HD2 LYS 3 2HD LYS 3 12.892 -2.994 13.795 25 HD3 LYS 3 1HD LYS 3 12.925 -1.453 14.655 26 HE2 LYS 3 2HE LYS 3 13.333 -3.276 16.198 27 HE3 LYS 3 1HE LYS 3 11.785 -2.512 16.558 28 HZ1 LYS 3 3HZ LYS 3 12.175 -5.049 15.065 29 HZ2 LYS 3 1HZ LYS 3 10.681 -4.307 15.348 30 HZ3 LYS 3 2HZ LYS 3 11.590 -4.902 16.644 31 H LYS 4 H LYS 4 12.632 2.263 11.976 32 HA LYS 4 HA LYS 4 11.799 2.158 9.228 33 HB2 LYS 4 2HB LYS 4 13.508 4.144 10.736 34 HB3 LYS 4 1HB LYS 4 12.996 4.349 9.067 35 HG2 LYS 4 2HG LYS 4 11.105 4.061 11.391 36 HG3 LYS 4 1HG LYS 4 11.632 5.604 10.718 37 HD2 LYS 4 2HD LYS 4 10.709 4.915 8.526 38 HD3 LYS 4 1HD LYS 4 10.103 3.439 9.279 39 HE2 LYS 4 2HE LYS 4 8.705 4.747 10.772 40 HE3 LYS 4 1HE LYS 4 9.354 6.242 10.101 41 HZ1 LYS 4 3HZ LYS 4 8.407 5.619 7.950 42 HZ2 LYS 4 1HZ LYS 4 7.213 5.747 9.142 43 HZ3 LYS 4 2HZ LYS 4 7.742 4.224 8.635 44 H ASN 5 H ASN 5 12.891 0.379 8.347 45 HA ASN 5 HA ASN 5 15.770 0.827 7.915 46 HB2 ASN 5 2HB ASN 5 15.494 -1.037 9.464 47 HB3 ASN 5 1HB ASN 5 14.388 -1.829 8.345 48 HD21 ASN 5 1HD2 ASN 5 15.676 -3.655 8.213 49 HD22 ASN 5 2HD2 ASN 5 17.168 -3.671 7.343 50 H ILE 6 H ILE 6 13.233 -1.356 6.677 51 HA ILE 6 HA ILE 6 14.205 -1.599 4.097 52 HB ILE 6 HB ILE 6 11.309 -1.644 4.957 53 HG12 ILE 6 2HG1 ILE 6 13.276 -3.928 4.684 54 HG13 ILE 6 1HG1 ILE 6 12.813 -3.192 6.215 55 HG21 ILE 6 1HG2 ILE 6 10.998 -3.090 2.981 56 HG22 ILE 6 2HG2 ILE 6 12.669 -2.772 2.516 57 HG23 ILE 6 3HG2 ILE 6 11.500 -1.454 2.561 58 HD11 ILE 6 3HD1 ILE 6 10.514 -3.901 5.872 59 HD12 ILE 6 1HD1 ILE 6 11.618 -5.275 5.806 60 HD13 ILE 6 2HD1 ILE 6 10.953 -4.605 4.315 61 H LEU 7 H LEU 7 13.921 -0.503 2.189 62 HA LEU 7 HA LEU 7 13.578 1.243 0.781 63 HB2 LEU 7 2HB LEU 7 11.184 1.245 2.494 64 HB3 LEU 7 1HB LEU 7 11.519 2.774 1.703 65 HG LEU 7 HG LEU 7 11.529 1.616 -0.486 66 HD11 LEU 7 1HD1 LEU 7 10.600 -0.779 1.092 67 HD12 LEU 7 2HD1 LEU 7 12.175 -0.609 0.317 68 HD13 LEU 7 3HD1 LEU 7 10.711 -0.659 -0.665 69 HD21 LEU 7 3HD2 LEU 7 9.113 1.246 -0.603 70 HD22 LEU 7 1HD2 LEU 7 9.502 2.698 0.318 71 HD23 LEU 7 2HD2 LEU 7 9.031 1.221 1.158 72 HA PRO 8 HA PRO 8 15.655 4.681 2.588 73 HB2 PRO 8 2HB PRO 8 15.370 6.587 0.751 74 HB3 PRO 8 1HB PRO 8 16.319 5.129 0.448 75 HG2 PRO 8 2HG PRO 8 13.577 5.824 -0.444 76 HG3 PRO 8 1HG PRO 8 14.854 4.956 -1.300 77 HD2 PRO 8 2HD PRO 8 12.695 3.787 -0.008 78 HD3 PRO 8 1HD PRO 8 14.195 2.952 -0.456 79 H GLN 9 H GLN 9 14.911 7.426 1.981 80 HA GLN 9 HA GLN 9 13.225 7.900 4.198 81 HB2 GLN 9 2HB GLN 9 14.314 9.750 2.084 82 HB3 GLN 9 1HB GLN 9 13.407 10.296 3.483 83 HG2 GLN 9 2HG GLN 9 15.114 9.399 4.965 84 HG3 GLN 9 1HG GLN 9 16.020 8.813 3.569 85 HE21 GLN 9 1HE2 GLN 9 17.093 10.283 2.251 86 HE22 GLN 9 2HE2 GLN 9 17.415 11.904 2.755 87 H GLN 10 H GLN 10 12.447 6.774 1.369 88 HA GLN 10 HA GLN 10 10.250 8.387 0.556 89 HB2 GLN 10 2HB GLN 10 11.032 5.548 -0.097 90 HB3 GLN 10 1HB GLN 10 9.625 6.337 -0.796 91 HG2 GLN 10 2HG GLN 10 11.110 8.083 -1.717 92 HG3 GLN 10 1HG GLN 10 12.495 7.192 -1.089 93 HE21 GLN 10 1HE2 GLN 10 11.255 4.601 -1.669 94 HE22 GLN 10 2HE2 GLN 10 11.389 4.386 -3.378 95 H GLY 11 H GLY 11 9.803 4.964 1.305 96 HA2 GLY 11 2HA GLY 11 8.250 3.888 2.617 97 HA3 GLY 11 1HA GLY 11 8.304 5.295 3.662 98 H GLN 12 H GLN 12 7.534 6.156 0.538 99 HA GLN 12 HA GLN 12 5.001 7.069 1.188 100 HB2 GLN 12 2HB GLN 12 6.745 7.048 -1.119 101 HB3 GLN 12 1HB GLN 12 5.058 6.928 -1.563 102 HG2 GLN 12 2HG GLN 12 6.264 9.067 0.169 103 HG3 GLN 12 1HG GLN 12 5.843 9.241 -1.535 104 HE21 GLN 12 1HE2 GLN 12 4.631 8.964 1.707 105 HE22 GLN 12 2HE2 GLN 12 3.011 9.454 1.362 106 HA PRO 13 HA PRO 13 3.304 3.323 -1.456 107 HB2 PRO 13 2HB PRO 13 4.975 1.167 -1.519 108 HB3 PRO 13 1HB PRO 13 4.963 2.412 -2.774 109 HG2 PRO 13 2HG PRO 13 6.781 2.145 -0.399 110 HG3 PRO 13 1HG PRO 13 7.204 2.486 -2.090 111 HD2 PRO 13 2HD PRO 13 7.045 4.475 -0.288 112 HD3 PRO 13 1HD PRO 13 6.464 4.693 -1.953 113 H VAL 14 H VAL 14 5.023 3.320 1.470 114 HA VAL 14 HA VAL 14 3.863 0.911 2.538 115 HB VAL 14 HB VAL 14 5.127 3.127 4.146 116 HG11 VAL 14 1HG1 VAL 14 4.935 0.147 4.562 117 HG12 VAL 14 2HG1 VAL 14 4.019 1.385 5.422 118 HG13 VAL 14 3HG1 VAL 14 5.767 1.278 5.630 119 HG21 VAL 14 3HG2 VAL 14 7.289 2.090 3.806 120 HG22 VAL 14 1HG2 VAL 14 6.601 2.558 2.250 121 HG23 VAL 14 2HG2 VAL 14 6.568 0.869 2.759 122 H ILE 15 H ILE 15 2.948 4.168 2.143 123 HA ILE 15 HA ILE 15 0.909 4.073 4.230 124 HB ILE 15 HB ILE 15 1.205 6.337 2.294 125 HG12 ILE 15 2HG1 ILE 15 3.494 5.798 3.049 126 HG13 ILE 15 1HG1 ILE 15 2.943 7.347 3.669 127 HG21 ILE 15 1HG2 ILE 15 0.532 7.657 4.263 128 HG22 ILE 15 2HG2 ILE 15 0.456 6.169 5.209 129 HG23 ILE 15 3HG2 ILE 15 -0.643 6.407 3.850 130 HD11 ILE 15 3HD1 ILE 15 4.178 6.049 5.336 131 HD12 ILE 15 1HD1 ILE 15 2.969 4.770 5.220 132 HD13 ILE 15 2HD1 ILE 15 2.515 6.359 5.836 133 H ARG 16 H ARG 16 1.368 3.650 0.893 134 HA ARG 16 HA ARG 16 -1.416 3.938 0.153 135 HB2 ARG 16 2HB ARG 16 0.546 2.598 -1.635 136 HB3 ARG 16 1HB ARG 16 -0.705 3.764 -2.030 137 HG2 ARG 16 2HG ARG 16 0.686 5.519 -0.945 138 HG3 ARG 16 1HG ARG 16 1.961 4.309 -0.780 139 HD2 ARG 16 2HD ARG 16 0.708 5.236 -3.359 140 HD3 ARG 16 1HD ARG 16 2.305 5.689 -2.765 141 HE ARG 16 HE ARG 16 2.549 3.051 -2.851 142 HH11 ARG 16 1HH1 ARG 16 1.145 5.237 -5.172 143 HH12 ARG 16 2HH1 ARG 16 1.549 4.252 -6.537 144 HH21 ARG 16 1HH2 ARG 16 3.085 1.747 -4.642 145 HH22 ARG 16 2HH2 ARG 16 2.652 2.267 -6.237 146 H LEU 17 H LEU 17 0.978 1.471 0.658 147 HA LEU 17 HA LEU 17 -0.583 -0.776 -0.037 148 HB2 LEU 17 2HB LEU 17 1.929 -0.703 0.278 149 HB3 LEU 17 1HB LEU 17 1.638 -0.699 2.004 150 HG LEU 17 HG LEU 17 0.500 -2.894 1.792 151 HD11 LEU 17 1HD1 LEU 17 0.776 -4.171 -0.280 152 HD12 LEU 17 2HD1 LEU 17 1.463 -2.746 -1.061 153 HD13 LEU 17 3HD1 LEU 17 -0.217 -2.734 -0.522 154 HD21 LEU 17 3HD2 LEU 17 3.313 -2.803 0.710 155 HD22 LEU 17 1HD2 LEU 17 2.531 -4.200 1.451 156 HD23 LEU 17 2HD2 LEU 17 2.858 -2.758 2.413 157 H THR 18 H THR 18 -0.125 0.967 2.989 158 HA THR 18 HA THR 18 -1.467 -0.801 4.693 159 HB THR 18 HB THR 18 -1.121 2.194 4.835 160 HG1 THR 18 1HG THR 18 0.674 0.400 5.002 161 HG21 THR 18 3HG2 THR 18 -1.604 1.959 7.232 162 HG22 THR 18 1HG2 THR 18 -2.007 0.262 6.970 163 HG23 THR 18 2HG2 THR 18 -2.988 1.525 6.228 164 H ALA 19 H ALA 19 -2.695 2.363 3.618 165 HA ALA 19 HA ALA 19 -5.377 1.771 4.180 166 HB1 ALA 19 1HB ALA 19 -4.544 4.061 3.985 167 HB2 ALA 19 2HB ALA 19 -5.916 3.787 2.911 168 HB3 ALA 19 3HB ALA 19 -4.278 3.819 2.258 169 H GLY 20 H GLY 20 -3.366 0.779 1.660 170 HA2 GLY 20 2HA GLY 20 -5.324 0.482 -0.367 171 HA3 GLY 20 1HA GLY 20 -3.736 -0.247 -0.363 172 H GLN 21 H GLN 21 -3.803 -1.762 1.871 173 HA GLN 21 HA GLN 21 -5.152 -4.074 1.028 174 HB2 GLN 21 2HB GLN 21 -3.143 -4.015 2.521 175 HB3 GLN 21 1HB GLN 21 -4.184 -3.471 3.827 176 HG2 GLN 21 2HG GLN 21 -3.743 -5.859 3.970 177 HG3 GLN 21 1HG GLN 21 -5.456 -5.532 3.708 178 HE21 GLN 21 1HE2 GLN 21 -2.526 -6.785 2.322 179 HE22 GLN 21 2HE2 GLN 21 -3.261 -7.567 0.968 180 H LEU 22 H LEU 22 -5.956 -1.629 3.430 181 HA LEU 22 HA LEU 22 -8.273 -2.906 4.437 182 HB2 LEU 22 2HB LEU 22 -7.564 0.029 4.418 183 HB3 LEU 22 1HB LEU 22 -8.781 -0.728 5.423 184 HG LEU 22 HG LEU 22 -5.820 -1.290 5.576 185 HD11 LEU 22 1HD1 LEU 22 -7.603 0.315 7.403 186 HD12 LEU 22 2HD1 LEU 22 -6.353 0.960 6.339 187 HD13 LEU 22 3HD1 LEU 22 -5.909 -0.077 7.694 188 HD21 LEU 22 3HD2 LEU 22 -6.404 -2.477 7.645 189 HD22 LEU 22 1HD2 LEU 22 -7.151 -3.213 6.227 190 HD23 LEU 22 2HD2 LEU 22 -8.114 -2.204 7.308 191 H SER 23 H SER 23 -7.827 -0.302 2.045 192 HA SER 23 HA SER 23 -10.563 -0.032 1.474 193 HB2 SER 23 2HB SER 23 -9.004 1.774 1.010 194 HB3 SER 23 1HB SER 23 -8.189 0.760 -0.173 195 HG SER 23 HG SER 23 -9.605 1.386 -1.573 196 H SER 24 H SER 24 -8.660 -2.557 0.906 197 HA SER 24 HA SER 24 -9.814 -3.265 -1.671 198 HB2 SER 24 2HB SER 24 -7.657 -4.566 -0.011 199 HB3 SER 24 1HB SER 24 -8.286 -5.264 -1.503 200 HG SER 24 HG SER 24 -6.353 -3.553 -1.310 201 H GLN 25 H GLN 25 -9.790 -4.227 1.695 202 HA GLN 25 HA GLN 25 -11.384 -6.557 1.348 203 HB2 GLN 25 2HB GLN 25 -10.762 -4.888 3.789 204 HB3 GLN 25 1HB GLN 25 -11.658 -6.401 3.839 205 HG2 GLN 25 2HG GLN 25 -9.738 -7.601 2.983 206 HG3 GLN 25 1HG GLN 25 -8.838 -6.092 2.832 207 HE21 GLN 25 1HE2 GLN 25 -7.214 -6.778 4.206 208 HE22 GLN 25 2HE2 GLN 25 -7.443 -6.930 5.911 209 H LEU 26 H LEU 26 -12.040 -3.220 1.425 210 HA LEU 26 HA LEU 26 -14.837 -3.608 2.106 211 HB2 LEU 26 2HB LEU 26 -13.529 -0.981 1.486 212 HB3 LEU 26 1HB LEU 26 -14.986 -1.277 2.419 213 HG LEU 26 HG LEU 26 -12.313 -2.259 3.351 214 HD11 LEU 26 1HD1 LEU 26 -13.551 0.436 3.895 215 HD12 LEU 26 2HD1 LEU 26 -12.066 0.130 2.996 216 HD13 LEU 26 3HD1 LEU 26 -12.142 -0.227 4.721 217 HD21 LEU 26 3HD2 LEU 26 -14.881 -1.585 4.781 218 HD22 LEU 26 1HD2 LEU 26 -13.401 -2.168 5.544 219 HD23 LEU 26 2HD2 LEU 26 -14.282 -3.205 4.422 220 H ALA 27 H ALA 27 -12.734 -2.941 -0.549 221 HA ALA 27 HA ALA 27 -14.351 -1.749 -2.404 222 HB1 ALA 27 1HB ALA 27 -12.418 -4.005 -2.927 223 HB2 ALA 27 2HB ALA 27 -12.000 -2.296 -2.809 224 HB3 ALA 27 3HB ALA 27 -13.027 -2.863 -4.125 225 H GLU 28 H GLU 28 -14.170 -5.187 -1.615 226 HA GLU 28 HA GLU 28 -15.962 -6.155 -3.418 227 HB2 GLU 28 2HB GLU 28 -16.400 -7.962 -1.647 228 HB3 GLU 28 1HB GLU 28 -14.784 -7.799 -2.329 229 HG2 GLU 28 2HG GLU 28 -14.173 -6.399 -0.444 230 HG3 GLU 28 1HG GLU 28 -15.748 -6.691 0.271 231 H LEU 29 H LEU 29 -16.560 -4.821 -0.219 232 HA LEU 29 HA LEU 29 -19.435 -4.787 -0.850 233 HB2 LEU 29 2HB LEU 29 -18.032 -5.346 1.747 234 HB3 LEU 29 1HB LEU 29 -19.676 -4.742 1.729 235 HG LEU 29 HG LEU 29 -19.734 -7.122 2.003 236 HD11 LEU 29 1HD1 LEU 29 -21.102 -7.786 0.106 237 HD12 LEU 29 2HD1 LEU 29 -20.495 -6.418 -0.826 238 HD13 LEU 29 3HD1 LEU 29 -21.481 -6.138 0.609 239 HD21 LEU 29 3HD2 LEU 29 -18.205 -7.377 -0.580 240 HD22 LEU 29 1HD2 LEU 29 -18.748 -8.681 0.474 241 HD23 LEU 29 2HD2 LEU 29 -17.496 -7.567 1.023 242 H SER 30 H SER 30 -18.126 -2.733 -1.787 243 HA SER 30 HA SER 30 -17.393 -0.617 -0.258 244 HB2 SER 30 2HB SER 30 -17.198 -0.610 -2.690 245 HB3 SER 30 1HB SER 30 -18.952 -0.524 -2.847 246 HG SER 30 HG SER 30 -18.727 1.493 -1.575 247 H GLU 31 H GLU 31 -20.677 -1.531 -1.186 248 HA GLU 31 HA GLU 31 -22.043 0.678 -0.187 249 HB2 GLU 31 2HB GLU 31 -23.007 -2.185 -0.243 250 HB3 GLU 31 1HB GLU 31 -24.014 -0.749 -0.158 251 HG2 GLU 31 2HG GLU 31 -23.391 -0.084 -2.346 252 HG3 GLU 31 1HG GLU 31 -22.178 -1.360 -2.449 253 H GLU 32 H GLU 32 -22.326 1.429 1.803 254 HA GLU 32 HA GLU 32 -22.499 -0.406 4.054 255 HB2 GLU 32 2HB GLU 32 -20.836 0.853 5.372 256 HB3 GLU 32 1HB GLU 32 -20.120 0.073 3.968 257 HG2 GLU 32 2HG GLU 32 -20.149 2.200 2.770 258 HG3 GLU 32 1HG GLU 32 -20.870 2.980 4.177 259 H ALA 33 H ALA 33 -24.086 1.704 2.496 260 HA ALA 33 HA ALA 33 -25.191 2.999 4.877 261 HB1 ALA 33 1HB ALA 33 -24.541 4.493 2.338 262 HB2 ALA 33 2HB ALA 33 -23.673 4.635 3.868 263 HB3 ALA 33 3HB ALA 33 -25.356 5.155 3.756 264 H LEU 34 H LEU 34 -27.289 2.587 4.973 265 HA LEU 34 HA LEU 34 -28.725 1.993 2.475 266 HB2 LEU 34 2HB LEU 34 -28.518 0.371 4.565 267 HB3 LEU 34 1HB LEU 34 -29.856 1.334 5.155 268 HG LEU 34 HG LEU 34 -30.669 -0.689 4.090 269 HD11 LEU 34 1HD1 LEU 34 -32.055 1.304 3.918 270 HD12 LEU 34 2HD1 LEU 34 -32.225 0.288 2.486 271 HD13 LEU 34 3HD1 LEU 34 -31.242 1.750 2.417 272 HD21 LEU 34 3HD2 LEU 34 -28.804 -1.087 2.576 273 HD22 LEU 34 1HD2 LEU 34 -29.278 0.311 1.610 274 HD23 LEU 34 2HD2 LEU 34 -30.338 -1.095 1.705 Start of MODEL 8 1 H1 MET 1 1HT MET 1 7.314 6.058 20.177 2 H2 MET 1 2HT MET 1 8.381 5.048 19.342 3 H3 MET 1 3HT MET 1 7.228 5.947 18.491 4 HA MET 1 HA MET 1 8.275 7.995 19.082 5 HB2 MET 1 2HB MET 1 10.245 6.234 20.555 6 HB3 MET 1 1HB MET 1 10.426 7.964 20.307 7 HG2 MET 1 2HG MET 1 8.362 8.344 21.586 8 HG3 MET 1 1HG MET 1 8.245 6.609 21.875 9 HE1 MET 1 2HE MET 1 8.104 7.085 24.521 10 HE2 MET 1 3HE MET 1 8.205 8.811 24.174 11 HE3 MET 1 1HE MET 1 9.273 8.089 25.378 12 H ASN 2 H ASN 2 8.683 8.320 16.979 13 HA ASN 2 HA ASN 2 11.238 7.538 15.929 14 HB2 ASN 2 2HB ASN 2 9.979 5.508 15.422 15 HB3 ASN 2 1HB ASN 2 8.725 6.460 14.631 16 HD21 ASN 2 1HD2 ASN 2 11.972 5.242 14.414 17 HD22 ASN 2 2HD2 ASN 2 12.190 5.549 12.727 18 H LYS 3 H LYS 3 11.971 9.214 14.830 19 HA LYS 3 HA LYS 3 10.028 11.057 13.602 20 HB2 LYS 3 2HB LYS 3 11.841 12.781 13.854 21 HB3 LYS 3 1HB LYS 3 11.178 12.181 15.369 22 HG2 LYS 3 2HG LYS 3 13.102 10.722 15.656 23 HG3 LYS 3 1HG LYS 3 13.760 11.270 14.113 24 HD2 LYS 3 2HD LYS 3 13.172 13.117 16.421 25 HD3 LYS 3 1HD LYS 3 14.745 12.361 16.155 26 HE2 LYS 3 2HE LYS 3 14.885 13.427 13.958 27 HE3 LYS 3 1HE LYS 3 13.311 14.176 14.219 28 HZ1 LYS 3 3HZ LYS 3 15.112 15.711 14.691 29 HZ2 LYS 3 1HZ LYS 3 15.742 14.655 15.854 30 HZ3 LYS 3 2HZ LYS 3 14.233 15.379 16.097 31 H LYS 4 H LYS 4 10.594 8.963 12.067 32 HA LYS 4 HA LYS 4 12.444 10.052 10.055 33 HB2 LYS 4 2HB LYS 4 12.071 7.126 10.724 34 HB3 LYS 4 1HB LYS 4 13.122 7.774 9.472 35 HG2 LYS 4 2HG LYS 4 13.432 8.391 12.401 36 HG3 LYS 4 1HG LYS 4 14.284 7.089 11.569 37 HD2 LYS 4 2HD LYS 4 14.417 9.971 10.704 38 HD3 LYS 4 1HD LYS 4 15.570 9.242 11.821 39 HE2 LYS 4 2HE LYS 4 15.011 8.280 9.018 40 HE3 LYS 4 1HE LYS 4 16.390 9.268 9.497 41 HZ1 LYS 4 3HZ LYS 4 17.003 6.948 9.369 42 HZ2 LYS 4 1HZ LYS 4 15.788 6.527 10.470 43 HZ3 LYS 4 2HZ LYS 4 17.094 7.476 10.974 44 H ASN 5 H ASN 5 9.540 10.299 10.362 45 HA ASN 5 HA ASN 5 8.205 8.565 8.571 46 HB2 ASN 5 2HB ASN 5 6.385 10.199 8.639 47 HB3 ASN 5 1HB ASN 5 7.017 9.904 10.257 48 HD21 ASN 5 1HD2 ASN 5 5.541 12.188 9.195 49 HD22 ASN 5 2HD2 ASN 5 6.535 13.571 9.481 50 H ILE 6 H ILE 6 10.081 11.468 8.134 51 HA ILE 6 HA ILE 6 9.188 12.019 5.474 52 HB ILE 6 HB ILE 6 11.751 12.914 6.798 53 HG12 ILE 6 2HG1 ILE 6 9.797 13.527 8.158 54 HG13 ILE 6 1HG1 ILE 6 10.532 14.947 7.426 55 HG21 ILE 6 1HG2 ILE 6 11.612 14.783 5.201 56 HG22 ILE 6 2HG2 ILE 6 10.202 14.022 4.464 57 HG23 ILE 6 3HG2 ILE 6 11.770 13.219 4.401 58 HD11 ILE 6 3HD1 ILE 6 8.032 13.549 6.503 59 HD12 ILE 6 1HD1 ILE 6 8.783 14.926 5.696 60 HD13 ILE 6 2HD1 ILE 6 8.133 15.107 7.326 61 H LEU 7 H LEU 7 9.439 10.291 4.123 62 HA LEU 7 HA LEU 7 12.207 9.485 3.567 63 HB2 LEU 7 2HB LEU 7 9.853 7.739 4.138 64 HB3 LEU 7 1HB LEU 7 11.063 7.183 2.997 65 HG LEU 7 HG LEU 7 11.888 8.115 5.718 66 HD11 LEU 7 1HD1 LEU 7 10.959 5.330 5.033 67 HD12 LEU 7 2HD1 LEU 7 10.093 6.474 6.060 68 HD13 LEU 7 3HD1 LEU 7 11.664 5.851 6.564 69 HD21 LEU 7 3HD2 LEU 7 13.018 6.107 3.777 70 HD22 LEU 7 1HD2 LEU 7 13.716 6.536 5.337 71 HD23 LEU 7 2HD2 LEU 7 13.619 7.741 4.055 72 HA PRO 8 HA PRO 8 11.206 10.110 -0.671 73 HB2 PRO 8 2HB PRO 8 12.713 8.292 -1.937 74 HB3 PRO 8 1HB PRO 8 13.405 9.698 -1.122 75 HG2 PRO 8 2HG PRO 8 13.182 6.882 -0.173 76 HG3 PRO 8 1HG PRO 8 14.539 8.010 -0.045 77 HD2 PRO 8 2HD PRO 8 12.822 7.505 2.004 78 HD3 PRO 8 1HD PRO 8 13.668 9.052 1.801 79 H GLN 9 H GLN 9 11.465 7.801 -2.525 80 HA GLN 9 HA GLN 9 8.739 7.055 -2.563 81 HB2 GLN 9 2HB GLN 9 11.090 6.132 -4.203 82 HB3 GLN 9 1HB GLN 9 9.437 5.636 -4.509 83 HG2 GLN 9 2HG GLN 9 8.805 7.959 -4.909 84 HG3 GLN 9 1HG GLN 9 10.468 8.458 -4.603 85 HE21 GLN 9 1HE2 GLN 9 8.829 8.778 -6.994 86 HE22 GLN 9 2HE2 GLN 9 9.696 8.012 -8.277 87 H GLN 10 H GLN 10 10.999 6.081 -0.612 88 HA GLN 10 HA GLN 10 10.640 3.228 -0.694 89 HB2 GLN 10 2HB GLN 10 12.041 5.027 1.283 90 HB3 GLN 10 1HB GLN 10 11.990 3.277 1.423 91 HG2 GLN 10 2HG GLN 10 13.096 3.116 -0.788 92 HG3 GLN 10 1HG GLN 10 13.244 4.873 -0.796 93 HE21 GLN 10 1HE2 GLN 10 14.681 5.866 0.621 94 HE22 GLN 10 2HE2 GLN 10 15.934 4.989 1.424 95 H GLY 11 H GLY 11 9.692 5.860 1.506 96 HA2 GLY 11 2HA GLY 11 7.951 4.002 2.952 97 HA3 GLY 11 1HA GLY 11 8.386 5.621 3.467 98 H GLN 12 H GLN 12 7.628 5.783 0.280 99 HA GLN 12 HA GLN 12 5.210 7.150 0.746 100 HB2 GLN 12 2HB GLN 12 7.025 6.675 -1.470 101 HB3 GLN 12 1HB GLN 12 5.348 6.764 -1.958 102 HG2 GLN 12 2HG GLN 12 5.160 8.944 -0.827 103 HG3 GLN 12 1HG GLN 12 6.872 8.842 -0.419 104 HE21 GLN 12 1HE2 GLN 12 5.415 10.803 -2.036 105 HE22 GLN 12 2HE2 GLN 12 6.187 10.809 -3.582 106 HA PRO 13 HA PRO 13 3.171 3.401 -1.462 107 HB2 PRO 13 2HB PRO 13 5.103 1.226 -1.451 108 HB3 PRO 13 1HB PRO 13 4.318 1.999 -2.831 109 HG2 PRO 13 2HG PRO 13 6.972 2.261 -2.321 110 HG3 PRO 13 1HG PRO 13 6.014 3.533 -3.105 111 HD2 PRO 13 2HD PRO 13 6.836 3.296 -0.224 112 HD3 PRO 13 1HD PRO 13 6.890 4.728 -1.280 113 H VAL 14 H VAL 14 5.002 3.274 1.369 114 HA VAL 14 HA VAL 14 3.840 0.875 2.448 115 HB VAL 14 HB VAL 14 5.200 3.127 3.947 116 HG11 VAL 14 1HG1 VAL 14 4.686 0.247 4.676 117 HG12 VAL 14 2HG1 VAL 14 3.931 1.667 5.397 118 HG13 VAL 14 3HG1 VAL 14 5.656 1.376 5.622 119 HG21 VAL 14 3HG2 VAL 14 7.241 1.775 3.806 120 HG22 VAL 14 1HG2 VAL 14 6.677 2.273 2.211 121 HG23 VAL 14 2HG2 VAL 14 6.401 0.623 2.768 122 H ILE 15 H ILE 15 3.000 4.192 2.166 123 HA ILE 15 HA ILE 15 0.967 4.097 4.238 124 HB ILE 15 HB ILE 15 1.534 6.294 2.244 125 HG12 ILE 15 2HG1 ILE 15 3.532 5.673 3.602 126 HG13 ILE 15 1HG1 ILE 15 2.969 7.311 3.887 127 HG21 ILE 15 1HG2 ILE 15 0.084 6.284 4.890 128 HG22 ILE 15 2HG2 ILE 15 -0.630 6.503 3.292 129 HG23 ILE 15 3HG2 ILE 15 0.456 7.728 3.947 130 HD11 ILE 15 3HD1 ILE 15 2.392 4.949 5.658 131 HD12 ILE 15 1HD1 ILE 15 1.935 6.624 5.963 132 HD13 ILE 15 2HD1 ILE 15 3.637 6.164 5.946 133 H ARG 16 H ARG 16 1.325 3.674 0.877 134 HA ARG 16 HA ARG 16 -1.485 3.977 0.246 135 HB2 ARG 16 2HB ARG 16 0.412 2.646 -1.621 136 HB3 ARG 16 1HB ARG 16 -0.863 3.800 -1.966 137 HG2 ARG 16 2HG ARG 16 0.552 5.563 -0.918 138 HG3 ARG 16 1HG ARG 16 1.843 4.362 -0.818 139 HD2 ARG 16 2HD ARG 16 0.468 5.252 -3.351 140 HD3 ARG 16 1HD ARG 16 2.051 5.805 -2.805 141 HE ARG 16 HE ARG 16 1.782 2.940 -3.100 142 HH11 ARG 16 1HH1 ARG 16 2.685 5.950 -4.607 143 HH12 ARG 16 2HH1 ARG 16 3.699 5.201 -5.794 144 HH21 ARG 16 1HH2 ARG 16 3.113 1.944 -4.661 145 HH22 ARG 16 2HH2 ARG 16 3.941 2.923 -5.826 146 H LEU 17 H LEU 17 0.909 1.494 0.655 147 HA LEU 17 HA LEU 17 -0.710 -0.729 -0.006 148 HB2 LEU 17 2HB LEU 17 1.826 -0.661 0.207 149 HB3 LEU 17 1HB LEU 17 1.591 -0.743 1.940 150 HG LEU 17 HG LEU 17 0.436 -2.915 1.665 151 HD11 LEU 17 1HD1 LEU 17 0.610 -4.085 -0.483 152 HD12 LEU 17 2HD1 LEU 17 1.263 -2.620 -1.219 153 HD13 LEU 17 3HD1 LEU 17 -0.389 -2.636 -0.600 154 HD21 LEU 17 3HD2 LEU 17 2.441 -4.215 1.149 155 HD22 LEU 17 1HD2 LEU 17 2.816 -2.838 2.185 156 HD23 LEU 17 2HD2 LEU 17 3.199 -2.777 0.464 157 H THR 18 H THR 18 -0.086 0.963 3.026 158 HA THR 18 HA THR 18 -1.350 -0.819 4.768 159 HB THR 18 HB THR 18 -0.999 2.174 4.914 160 HG1 THR 18 1HG THR 18 0.548 1.177 6.636 161 HG21 THR 18 3HG2 THR 18 -2.831 1.540 6.356 162 HG22 THR 18 1HG2 THR 18 -1.414 1.926 7.331 163 HG23 THR 18 2HG2 THR 18 -1.866 0.243 7.059 164 H ALA 19 H ALA 19 -2.652 2.350 3.812 165 HA ALA 19 HA ALA 19 -5.306 1.701 4.462 166 HB1 ALA 19 1HB ALA 19 -4.502 4.007 4.335 167 HB2 ALA 19 2HB ALA 19 -5.913 3.763 3.306 168 HB3 ALA 19 3HB ALA 19 -4.304 3.840 2.591 169 H GLY 20 H GLY 20 -3.392 0.840 1.816 170 HA2 GLY 20 2HA GLY 20 -5.450 0.623 -0.127 171 HA3 GLY 20 1HA GLY 20 -3.847 -0.058 -0.253 172 H GLN 21 H GLN 21 -3.873 -1.631 2.039 173 HA GLN 21 HA GLN 21 -5.118 -3.970 1.074 174 HB2 GLN 21 2HB GLN 21 -3.088 -3.846 2.569 175 HB3 GLN 21 1HB GLN 21 -4.177 -3.492 3.901 176 HG2 GLN 21 2HG GLN 21 -3.601 -5.826 3.916 177 HG3 GLN 21 1HG GLN 21 -5.309 -5.639 3.525 178 HE21 GLN 21 1HE2 GLN 21 -2.167 -6.509 2.321 179 HE22 GLN 21 2HE2 GLN 21 -2.710 -7.262 0.864 180 H LEU 22 H LEU 22 -6.005 -1.668 3.597 181 HA LEU 22 HA LEU 22 -8.283 -3.131 4.493 182 HB2 LEU 22 2HB LEU 22 -7.304 -0.322 4.898 183 HB3 LEU 22 1HB LEU 22 -8.875 -0.822 5.490 184 HG LEU 22 HG LEU 22 -7.734 -2.615 6.817 185 HD11 LEU 22 1HD1 LEU 22 -5.686 -2.770 5.495 186 HD12 LEU 22 2HD1 LEU 22 -5.334 -2.430 7.190 187 HD13 LEU 22 3HD1 LEU 22 -5.238 -1.138 5.993 188 HD21 LEU 22 3HD2 LEU 22 -8.416 -0.451 7.786 189 HD22 LEU 22 1HD2 LEU 22 -6.820 0.195 7.410 190 HD23 LEU 22 2HD2 LEU 22 -6.986 -1.127 8.565 191 H SER 23 H SER 23 -7.833 -0.358 2.316 192 HA SER 23 HA SER 23 -10.582 -0.027 1.801 193 HB2 SER 23 2HB SER 23 -8.994 1.802 1.476 194 HB3 SER 23 1HB SER 23 -8.237 0.892 0.177 195 HG SER 23 HG SER 23 -9.982 1.196 -1.087 196 H SER 24 H SER 24 -8.715 -2.516 1.065 197 HA SER 24 HA SER 24 -9.858 -3.033 -1.564 198 HB2 SER 24 2HB SER 24 -7.682 -4.415 -0.000 199 HB3 SER 24 1HB SER 24 -8.336 -5.062 -1.504 200 HG SER 24 HG SER 24 -7.385 -3.501 -2.610 201 H GLN 25 H GLN 25 -9.903 -4.136 1.739 202 HA GLN 25 HA GLN 25 -11.417 -6.495 1.280 203 HB2 GLN 25 2HB GLN 25 -10.949 -4.857 3.775 204 HB3 GLN 25 1HB GLN 25 -11.808 -6.393 3.760 205 HG2 GLN 25 2HG GLN 25 -9.793 -7.491 2.894 206 HG3 GLN 25 1HG GLN 25 -8.939 -5.950 2.962 207 HE21 GLN 25 1HE2 GLN 25 -8.383 -8.467 4.329 208 HE22 GLN 25 2HE2 GLN 25 -8.380 -8.104 6.017 209 H LEU 26 H LEU 26 -12.184 -3.161 1.500 210 HA LEU 26 HA LEU 26 -14.993 -3.683 1.993 211 HB2 LEU 26 2HB LEU 26 -13.737 -0.993 1.556 212 HB3 LEU 26 1HB LEU 26 -15.249 -1.362 2.366 213 HG LEU 26 HG LEU 26 -12.593 -2.259 3.438 214 HD11 LEU 26 1HD1 LEU 26 -12.724 -0.325 4.971 215 HD12 LEU 26 2HD1 LEU 26 -14.091 0.289 4.041 216 HD13 LEU 26 3HD1 LEU 26 -12.502 0.154 3.288 217 HD21 LEU 26 3HD2 LEU 26 -15.304 -1.904 4.706 218 HD22 LEU 26 1HD2 LEU 26 -13.838 -2.413 5.544 219 HD23 LEU 26 2HD2 LEU 26 -14.540 -3.437 4.291 220 H ALA 27 H ALA 27 -12.790 -2.767 -0.514 221 HA ALA 27 HA ALA 27 -14.393 -1.593 -2.394 222 HB1 ALA 27 1HB ALA 27 -12.906 -2.522 -4.094 223 HB2 ALA 27 2HB ALA 27 -12.271 -3.673 -2.919 224 HB3 ALA 27 3HB ALA 27 -11.992 -1.946 -2.702 225 H GLU 28 H GLU 28 -13.993 -5.053 -1.778 226 HA GLU 28 HA GLU 28 -15.628 -6.036 -3.720 227 HB2 GLU 28 2HB GLU 28 -16.011 -7.974 -2.075 228 HB3 GLU 28 1HB GLU 28 -14.386 -7.661 -2.681 229 HG2 GLU 28 2HG GLU 28 -13.944 -6.346 -0.691 230 HG3 GLU 28 1HG GLU 28 -15.522 -6.783 -0.062 231 H LEU 29 H LEU 29 -16.463 -4.970 -0.467 232 HA LEU 29 HA LEU 29 -19.270 -4.859 -1.301 233 HB2 LEU 29 2HB LEU 29 -18.159 -6.201 1.130 234 HB3 LEU 29 1HB LEU 29 -19.780 -5.532 1.149 235 HG LEU 29 HG LEU 29 -20.039 -6.970 -1.052 236 HD11 LEU 29 1HD1 LEU 29 -17.849 -8.383 0.456 237 HD12 LEU 29 2HD1 LEU 29 -17.763 -7.731 -1.181 238 HD13 LEU 29 3HD1 LEU 29 -18.817 -9.101 -0.831 239 HD21 LEU 29 3HD2 LEU 29 -20.953 -8.769 0.312 240 HD22 LEU 29 1HD2 LEU 29 -21.381 -7.187 0.964 241 HD23 LEU 29 2HD2 LEU 29 -20.104 -8.137 1.723 242 H SER 30 H SER 30 -18.462 -2.600 -1.582 243 HA SER 30 HA SER 30 -17.562 -0.927 0.353 244 HB2 SER 30 2HB SER 30 -17.850 -0.223 -1.966 245 HB3 SER 30 1HB SER 30 -19.602 -0.282 -1.785 246 HG SER 30 HG SER 30 -19.564 1.518 -0.618 247 H GLU 31 H GLU 31 -21.008 -1.439 -0.413 248 HA GLU 31 HA GLU 31 -22.038 0.069 1.698 249 HB2 GLU 31 2HB GLU 31 -23.286 -2.341 0.364 250 HB3 GLU 31 1HB GLU 31 -24.135 -1.124 1.306 251 HG2 GLU 31 2HG GLU 31 -23.700 0.549 -0.310 252 HG3 GLU 31 1HG GLU 31 -22.622 -0.516 -1.211 253 H GLU 32 H GLU 32 -23.057 -0.621 3.671 254 HA GLU 32 HA GLU 32 -21.954 -3.127 4.760 255 HB2 GLU 32 2HB GLU 32 -21.633 -2.020 6.912 256 HB3 GLU 32 1HB GLU 32 -20.718 -1.204 5.653 257 HG2 GLU 32 2HG GLU 32 -22.436 0.520 5.514 258 HG3 GLU 32 1HG GLU 32 -23.366 -0.303 6.765 259 H ALA 33 H ALA 33 -24.653 -1.094 4.294 260 HA ALA 33 HA ALA 33 -26.858 -1.265 4.803 261 HB1 ALA 33 1HB ALA 33 -27.783 -3.480 5.186 262 HB2 ALA 33 2HB ALA 33 -26.169 -4.117 5.503 263 HB3 ALA 33 3HB ALA 33 -26.584 -3.526 3.895 264 H LEU 34 H LEU 34 -25.916 -3.639 7.232 265 HA LEU 34 HA LEU 34 -26.173 -3.696 9.490 266 HB2 LEU 34 2HB LEU 34 -24.378 -1.851 9.058 267 HB3 LEU 34 1HB LEU 34 -25.639 -0.747 9.571 268 HG LEU 34 HG LEU 34 -24.732 -3.062 11.273 269 HD11 LEU 34 1HD1 LEU 34 -23.336 -1.472 12.491 270 HD12 LEU 34 2HD1 LEU 34 -23.727 -0.219 11.313 271 HD13 LEU 34 3HD1 LEU 34 -22.805 -1.639 10.818 272 HD21 LEU 34 3HD2 LEU 34 -26.222 -0.510 11.879 273 HD22 LEU 34 1HD2 LEU 34 -25.697 -1.693 13.079 274 HD23 LEU 34 2HD2 LEU 34 -26.894 -2.142 11.863 Start of MODEL 9 1 H1 MET 1 1HT MET 1 8.069 -11.594 7.931 2 H2 MET 1 2HT MET 1 9.714 -11.886 8.198 3 H3 MET 1 3HT MET 1 8.597 -13.147 8.344 4 HA MET 1 HA MET 1 9.792 -13.353 6.286 5 HB2 MET 1 2HB MET 1 6.928 -12.451 5.921 6 HB3 MET 1 1HB MET 1 7.854 -13.364 4.740 7 HG2 MET 1 2HG MET 1 8.039 -15.221 6.302 8 HG3 MET 1 1HG MET 1 7.138 -14.303 7.509 9 HE1 MET 1 2HE MET 1 6.368 -17.270 6.517 10 HE2 MET 1 3HE MET 1 4.615 -17.111 6.413 11 HE3 MET 1 1HE MET 1 5.488 -16.385 7.763 12 H ASN 2 H ASN 2 10.909 -12.389 4.706 13 HA ASN 2 HA ASN 2 10.457 -9.513 4.273 14 HB2 ASN 2 2HB ASN 2 12.963 -11.164 3.882 15 HB3 ASN 2 1HB ASN 2 12.817 -9.454 3.490 16 HD21 ASN 2 1HD2 ASN 2 11.139 -8.854 5.773 17 HD22 ASN 2 2HD2 ASN 2 12.172 -8.885 7.158 18 H LYS 3 H LYS 3 9.581 -8.952 2.402 19 HA LYS 3 HA LYS 3 10.092 -10.629 0.038 20 HB2 LYS 3 2HB LYS 3 7.456 -9.350 0.786 21 HB3 LYS 3 1HB LYS 3 7.779 -10.218 -0.707 22 HG2 LYS 3 2HG LYS 3 8.173 -12.266 0.557 23 HG3 LYS 3 1HG LYS 3 7.866 -11.396 2.063 24 HD2 LYS 3 2HD LYS 3 5.587 -10.916 1.330 25 HD3 LYS 3 1HD LYS 3 5.893 -11.753 -0.193 26 HE2 LYS 3 2HE LYS 3 6.279 -13.835 1.027 27 HE3 LYS 3 1HE LYS 3 5.992 -12.999 2.553 28 HZ1 LYS 3 3HZ LYS 3 4.013 -13.357 0.366 29 HZ2 LYS 3 1HZ LYS 3 3.733 -12.525 1.814 30 HZ3 LYS 3 2HZ LYS 3 4.028 -14.191 1.839 31 H LYS 4 H LYS 4 11.728 -8.597 0.377 32 HA LYS 4 HA LYS 4 12.568 -6.708 -0.566 33 HB2 LYS 4 2HB LYS 4 10.400 -7.221 -2.611 34 HB3 LYS 4 1HB LYS 4 11.735 -6.096 -2.815 35 HG2 LYS 4 2HG LYS 4 12.109 -9.041 -2.342 36 HG3 LYS 4 1HG LYS 4 12.012 -8.310 -3.945 37 HD2 LYS 4 2HD LYS 4 13.950 -6.906 -3.417 38 HD3 LYS 4 1HD LYS 4 14.043 -7.641 -1.815 39 HE2 LYS 4 2HE LYS 4 14.489 -9.807 -2.799 40 HE3 LYS 4 1HE LYS 4 14.294 -9.141 -4.419 41 HZ1 LYS 4 3HZ LYS 4 16.218 -7.729 -4.029 42 HZ2 LYS 4 1HZ LYS 4 16.625 -9.359 -3.828 43 HZ3 LYS 4 2HZ LYS 4 16.404 -8.369 -2.475 44 H ASN 5 H ASN 5 10.395 -6.512 1.410 45 HA ASN 5 HA ASN 5 8.933 -4.130 0.593 46 HB2 ASN 5 2HB ASN 5 8.856 -5.733 3.160 47 HB3 ASN 5 1HB ASN 5 7.827 -4.348 2.810 48 HD21 ASN 5 1HD2 ASN 5 6.188 -4.543 1.290 49 HD22 ASN 5 2HD2 ASN 5 5.629 -6.079 0.733 50 H ILE 6 H ILE 6 11.914 -4.242 1.108 51 HA ILE 6 HA ILE 6 12.137 -2.383 3.357 52 HB ILE 6 HB ILE 6 14.372 -3.614 1.745 53 HG12 ILE 6 2HG1 ILE 6 13.231 -4.520 4.401 54 HG13 ILE 6 1HG1 ILE 6 12.978 -5.338 2.862 55 HG21 ILE 6 1HG2 ILE 6 14.976 -1.581 2.942 56 HG22 ILE 6 2HG2 ILE 6 15.752 -2.989 3.667 57 HG23 ILE 6 3HG2 ILE 6 14.343 -2.263 4.440 58 HD11 ILE 6 3HD1 ILE 6 14.683 -6.461 4.149 59 HD12 ILE 6 1HD1 ILE 6 15.612 -4.966 4.271 60 HD13 ILE 6 2HD1 ILE 6 15.392 -5.743 2.703 61 H LEU 7 H LEU 7 11.292 -0.512 2.419 62 HA LEU 7 HA LEU 7 12.548 0.533 0.008 63 HB2 LEU 7 2HB LEU 7 10.149 1.247 1.631 64 HB3 LEU 7 1HB LEU 7 10.884 2.490 0.637 65 HG LEU 7 HG LEU 7 10.194 -0.139 -0.600 66 HD11 LEU 7 1HD1 LEU 7 8.250 2.107 -0.079 67 HD12 LEU 7 2HD1 LEU 7 8.171 0.476 0.591 68 HD13 LEU 7 3HD1 LEU 7 7.959 0.729 -1.142 69 HD21 LEU 7 3HD2 LEU 7 10.228 2.701 -1.610 70 HD22 LEU 7 1HD2 LEU 7 9.868 1.267 -2.573 71 HD23 LEU 7 2HD2 LEU 7 11.477 1.486 -1.882 72 HA PRO 8 HA PRO 8 15.305 3.267 2.081 73 HB2 PRO 8 2HB PRO 8 15.417 5.372 0.419 74 HB3 PRO 8 1HB PRO 8 16.132 3.805 0.026 75 HG2 PRO 8 2HG PRO 8 13.544 4.978 -0.855 76 HG3 PRO 8 1HG PRO 8 14.737 4.059 -1.781 77 HD2 PRO 8 2HD PRO 8 12.439 2.982 -0.790 78 HD3 PRO 8 1HD PRO 8 13.919 2.044 -1.072 79 H GLN 9 H GLN 9 15.011 6.180 1.577 80 HA GLN 9 HA GLN 9 13.508 6.804 3.888 81 HB2 GLN 9 2HB GLN 9 14.846 8.519 1.811 82 HB3 GLN 9 1HB GLN 9 13.998 9.193 3.189 83 HG2 GLN 9 2HG GLN 9 15.522 7.937 4.683 84 HG3 GLN 9 1HG GLN 9 16.416 7.410 3.259 85 HE21 GLN 9 1HE2 GLN 9 16.038 9.964 1.889 86 HE22 GLN 9 2HE2 GLN 9 17.111 11.079 2.654 87 H GLN 10 H GLN 10 12.462 5.927 1.060 88 HA GLN 10 HA GLN 10 10.506 7.884 0.396 89 HB2 GLN 10 2HB GLN 10 10.775 4.979 -0.377 90 HB3 GLN 10 1HB GLN 10 9.534 6.045 -1.019 91 HG2 GLN 10 2HG GLN 10 11.287 7.505 -1.930 92 HG3 GLN 10 1HG GLN 10 12.509 6.387 -1.327 93 HE21 GLN 10 1HE2 GLN 10 10.004 6.910 -3.677 94 HE22 GLN 10 2HE2 GLN 10 10.419 5.592 -4.714 95 H GLY 11 H GLY 11 9.655 4.525 1.142 96 HA2 GLY 11 2HA GLY 11 8.051 3.645 2.539 97 HA3 GLY 11 1HA GLY 11 8.228 5.091 3.515 98 H GLN 12 H GLN 12 7.533 5.924 0.385 99 HA GLN 12 HA GLN 12 5.069 7.047 0.968 100 HB2 GLN 12 2HB GLN 12 6.836 6.813 -1.300 101 HB3 GLN 12 1HB GLN 12 5.153 6.762 -1.779 102 HG2 GLN 12 2HG GLN 12 6.434 8.910 -0.117 103 HG3 GLN 12 1HG GLN 12 6.062 9.027 -1.836 104 HE21 GLN 12 1HE2 GLN 12 3.919 9.230 -2.491 105 HE22 GLN 12 2HE2 GLN 12 2.663 9.684 -1.396 106 HA PRO 13 HA PRO 13 3.055 3.356 -1.332 107 HB2 PRO 13 2HB PRO 13 5.014 1.232 -1.546 108 HB3 PRO 13 1HB PRO 13 4.180 2.094 -2.842 109 HG2 PRO 13 2HG PRO 13 6.855 2.343 -2.365 110 HG3 PRO 13 1HG PRO 13 5.869 3.631 -3.083 111 HD2 PRO 13 2HD PRO 13 6.764 3.299 -0.237 112 HD3 PRO 13 1HD PRO 13 6.742 4.774 -1.232 113 H VAL 14 H VAL 14 5.085 3.060 1.370 114 HA VAL 14 HA VAL 14 3.986 0.604 2.366 115 HB VAL 14 HB VAL 14 5.425 2.769 3.919 116 HG11 VAL 14 1HG1 VAL 14 4.989 -0.157 4.512 117 HG12 VAL 14 2HG1 VAL 14 4.221 1.201 5.335 118 HG13 VAL 14 3HG1 VAL 14 5.962 0.952 5.478 119 HG21 VAL 14 3HG2 VAL 14 6.560 0.331 2.549 120 HG22 VAL 14 1HG2 VAL 14 7.457 1.453 3.571 121 HG23 VAL 14 2HG2 VAL 14 6.783 2.004 2.036 122 H ILE 15 H ILE 15 3.112 3.925 2.345 123 HA ILE 15 HA ILE 15 1.148 3.624 4.476 124 HB ILE 15 HB ILE 15 1.597 6.054 2.756 125 HG12 ILE 15 2HG1 ILE 15 3.735 5.293 3.784 126 HG13 ILE 15 1HG1 ILE 15 3.203 6.861 4.368 127 HG21 ILE 15 1HG2 ILE 15 0.703 7.240 4.716 128 HG22 ILE 15 2HG2 ILE 15 0.472 5.693 5.529 129 HG23 ILE 15 3HG2 ILE 15 -0.440 6.065 4.067 130 HD11 ILE 15 3HD1 ILE 15 2.855 4.249 5.821 131 HD12 ILE 15 1HD1 ILE 15 2.397 5.844 6.418 132 HD13 ILE 15 2HD1 ILE 15 4.097 5.456 6.155 133 H ARG 16 H ARG 16 1.442 3.672 1.068 134 HA ARG 16 HA ARG 16 -1.360 4.058 0.534 135 HB2 ARG 16 2HB ARG 16 -0.641 4.590 -1.493 136 HB3 ARG 16 1HB ARG 16 1.001 4.288 -0.943 137 HG2 ARG 16 2HG ARG 16 0.866 2.010 -1.659 138 HG3 ARG 16 1HG ARG 16 -0.825 2.209 -2.113 139 HD2 ARG 16 2HD ARG 16 0.486 2.368 -4.105 140 HD3 ARG 16 1HD ARG 16 -0.129 3.973 -3.700 141 HE ARG 16 HE ARG 16 2.270 4.062 -2.566 142 HH11 ARG 16 1HH1 ARG 16 1.311 2.910 -5.712 143 HH12 ARG 16 2HH1 ARG 16 2.819 3.314 -6.461 144 HH21 ARG 16 1HH2 ARG 16 4.258 4.601 -3.545 145 HH22 ARG 16 2HH2 ARG 16 4.494 4.276 -5.231 146 H LEU 17 H LEU 17 0.884 1.479 0.943 147 HA LEU 17 HA LEU 17 -0.819 -0.598 -0.056 148 HB2 LEU 17 2HB LEU 17 1.740 -0.640 0.169 149 HB3 LEU 17 1HB LEU 17 1.469 -0.949 1.872 150 HG LEU 17 HG LEU 17 0.208 -3.005 1.262 151 HD11 LEU 17 1HD1 LEU 17 1.196 -2.377 -1.516 152 HD12 LEU 17 2HD1 LEU 17 -0.485 -2.361 -0.980 153 HD13 LEU 17 3HD1 LEU 17 0.416 -3.877 -1.012 154 HD21 LEU 17 3HD2 LEU 17 2.182 -4.315 0.651 155 HD22 LEU 17 1HD2 LEU 17 2.560 -3.117 1.889 156 HD23 LEU 17 2HD2 LEU 17 3.031 -2.833 0.214 157 H THR 18 H THR 18 -0.104 0.811 3.084 158 HA THR 18 HA THR 18 -1.422 -1.038 4.712 159 HB THR 18 HB THR 18 -1.010 1.932 5.088 160 HG1 THR 18 1HG THR 18 0.812 1.280 6.240 161 HG21 THR 18 3HG2 THR 18 -1.772 -0.193 7.083 162 HG22 THR 18 1HG2 THR 18 -2.780 1.146 6.539 163 HG23 THR 18 2HG2 THR 18 -1.325 1.465 7.483 164 H ALA 19 H ALA 19 -2.611 2.240 3.995 165 HA ALA 19 HA ALA 19 -5.285 1.630 4.608 166 HB1 ALA 19 1HB ALA 19 -5.824 3.801 3.609 167 HB2 ALA 19 2HB ALA 19 -4.196 3.889 2.936 168 HB3 ALA 19 3HB ALA 19 -4.430 3.911 4.683 169 H GLY 20 H GLY 20 -3.393 1.009 1.865 170 HA2 GLY 20 2HA GLY 20 -5.427 0.999 -0.092 171 HA3 GLY 20 1HA GLY 20 -3.864 0.230 -0.241 172 H GLN 21 H GLN 21 -4.017 -1.477 1.936 173 HA GLN 21 HA GLN 21 -5.373 -3.680 0.822 174 HB2 GLN 21 2HB GLN 21 -3.378 -3.791 2.341 175 HB3 GLN 21 1HB GLN 21 -4.439 -3.382 3.681 176 HG2 GLN 21 2HG GLN 21 -4.023 -5.768 3.592 177 HG3 GLN 21 1HG GLN 21 -5.725 -5.413 3.300 178 HE21 GLN 21 1HE2 GLN 21 -3.233 -4.917 0.911 179 HE22 GLN 21 2HE2 GLN 21 -3.726 -6.183 -0.155 180 H LEU 22 H LEU 22 -6.160 -1.487 3.471 181 HA LEU 22 HA LEU 22 -8.524 -2.819 4.283 182 HB2 LEU 22 2HB LEU 22 -7.413 -0.067 4.717 183 HB3 LEU 22 1HB LEU 22 -9.036 -0.459 5.247 184 HG LEU 22 HG LEU 22 -7.462 -0.648 7.087 185 HD11 LEU 22 1HD1 LEU 22 -8.002 -2.900 7.826 186 HD12 LEU 22 2HD1 LEU 22 -8.440 -3.350 6.178 187 HD13 LEU 22 3HD1 LEU 22 -9.392 -2.145 7.046 188 HD21 LEU 22 3HD2 LEU 22 -6.083 -2.734 5.399 189 HD22 LEU 22 1HD2 LEU 22 -5.707 -2.355 7.081 190 HD23 LEU 22 2HD2 LEU 22 -5.443 -1.146 5.823 191 H SER 23 H SER 23 -7.921 -0.062 2.124 192 HA SER 23 HA SER 23 -10.647 0.356 1.542 193 HB2 SER 23 2HB SER 23 -9.054 2.171 1.298 194 HB3 SER 23 1HB SER 23 -8.209 1.258 0.055 195 HG SER 23 HG SER 23 -9.567 2.028 -1.332 196 H SER 24 H SER 24 -8.781 -2.144 0.802 197 HA SER 24 HA SER 24 -9.849 -2.586 -1.869 198 HB2 SER 24 2HB SER 24 -7.769 -4.044 -0.248 199 HB3 SER 24 1HB SER 24 -8.392 -4.672 -1.772 200 HG SER 24 HG SER 24 -6.401 -3.126 -1.589 201 H GLN 25 H GLN 25 -9.942 -3.895 1.387 202 HA GLN 25 HA GLN 25 -11.555 -6.138 0.817 203 HB2 GLN 25 2HB GLN 25 -11.086 -4.566 3.352 204 HB3 GLN 25 1HB GLN 25 -12.097 -6.005 3.299 205 HG2 GLN 25 2HG GLN 25 -9.177 -5.880 2.573 206 HG3 GLN 25 1HG GLN 25 -9.843 -6.504 4.081 207 HE21 GLN 25 1HE2 GLN 25 -8.223 -7.827 2.037 208 HE22 GLN 25 2HE2 GLN 25 -9.139 -9.200 1.520 209 H LEU 26 H LEU 26 -12.212 -2.777 1.145 210 HA LEU 26 HA LEU 26 -15.011 -3.063 1.651 211 HB2 LEU 26 2HB LEU 26 -13.619 -0.606 0.626 212 HB3 LEU 26 1HB LEU 26 -15.129 -0.694 1.515 213 HG LEU 26 HG LEU 26 -12.491 -1.509 2.698 214 HD11 LEU 26 1HD1 LEU 26 -13.881 1.162 2.865 215 HD12 LEU 26 2HD1 LEU 26 -12.347 0.832 2.062 216 HD13 LEU 26 3HD1 LEU 26 -12.475 0.679 3.814 217 HD21 LEU 26 3HD2 LEU 26 -14.463 -2.421 3.796 218 HD22 LEU 26 1HD2 LEU 26 -15.145 -0.801 3.940 219 HD23 LEU 26 2HD2 LEU 26 -13.675 -1.221 4.818 220 H ALA 27 H ALA 27 -12.923 -2.545 -1.104 221 HA ALA 27 HA ALA 27 -14.753 -1.820 -3.040 222 HB1 ALA 27 1HB ALA 27 -12.332 -1.806 -3.381 223 HB2 ALA 27 2HB ALA 27 -13.162 -2.677 -4.671 224 HB3 ALA 27 3HB ALA 27 -12.325 -3.569 -3.400 225 H GLU 28 H GLU 28 -14.467 -4.802 -1.406 226 HA GLU 28 HA GLU 28 -16.113 -6.118 -3.358 227 HB2 GLU 28 2HB GLU 28 -15.388 -8.203 -1.952 228 HB3 GLU 28 1HB GLU 28 -14.354 -7.543 -3.218 229 HG2 GLU 28 2HG GLU 28 -13.301 -6.141 -1.466 230 HG3 GLU 28 1HG GLU 28 -14.174 -7.093 -0.277 231 H LEU 29 H LEU 29 -15.696 -5.577 0.070 232 HA LEU 29 HA LEU 29 -18.520 -6.288 0.480 233 HB2 LEU 29 2HB LEU 29 -16.127 -6.804 2.230 234 HB3 LEU 29 1HB LEU 29 -17.750 -6.774 2.890 235 HG LEU 29 HG LEU 29 -17.138 -9.053 2.520 236 HD11 LEU 29 1HD1 LEU 29 -19.451 -8.486 2.015 237 HD12 LEU 29 2HD1 LEU 29 -18.877 -9.798 0.985 238 HD13 LEU 29 3HD1 LEU 29 -19.014 -8.163 0.338 239 HD21 LEU 29 3HD2 LEU 29 -15.365 -8.575 0.836 240 HD22 LEU 29 1HD2 LEU 29 -16.634 -8.394 -0.374 241 HD23 LEU 29 2HD2 LEU 29 -16.399 -9.944 0.429 242 H SER 30 H SER 30 -18.203 -3.821 -0.255 243 HA SER 30 HA SER 30 -17.361 -1.856 1.414 244 HB2 SER 30 2HB SER 30 -18.224 -1.411 -0.832 245 HB3 SER 30 1HB SER 30 -19.854 -1.819 -0.297 246 HG SER 30 HG SER 30 -18.253 0.369 0.529 247 H GLU 31 H GLU 31 -20.682 -3.137 1.325 248 HA GLU 31 HA GLU 31 -21.652 -1.749 3.533 249 HB2 GLU 31 2HB GLU 31 -22.481 -4.447 2.455 250 HB3 GLU 31 1HB GLU 31 -23.409 -3.508 3.613 251 HG2 GLU 31 2HG GLU 31 -22.781 -2.776 0.773 252 HG3 GLU 31 1HG GLU 31 -24.348 -3.205 1.457 253 H GLU 32 H GLU 32 -21.363 -1.944 5.655 254 HA GLU 32 HA GLU 32 -20.096 -4.404 6.667 255 HB2 GLU 32 2HB GLU 32 -19.064 -2.964 8.427 256 HB3 GLU 32 1HB GLU 32 -18.497 -2.617 6.799 257 HG2 GLU 32 2HG GLU 32 -19.928 -0.673 6.680 258 HG3 GLU 32 1HG GLU 32 -20.603 -1.043 8.265 259 H ALA 33 H ALA 33 -22.922 -3.879 6.429 260 HA ALA 33 HA ALA 33 -23.865 -3.283 9.105 261 HB1 ALA 33 1HB ALA 33 -25.137 -2.503 7.166 262 HB2 ALA 33 2HB ALA 33 -26.096 -3.589 8.170 263 HB3 ALA 33 3HB ALA 33 -25.393 -4.173 6.661 264 H LEU 34 H LEU 34 -25.457 -4.796 10.129 265 HA LEU 34 HA LEU 34 -24.314 -7.480 10.151 266 HB2 LEU 34 2HB LEU 34 -26.163 -6.022 12.029 267 HB3 LEU 34 1HB LEU 34 -25.806 -7.730 12.197 268 HG LEU 34 HG LEU 34 -23.362 -7.089 12.366 269 HD11 LEU 34 1HD1 LEU 34 -23.451 -4.883 11.401 270 HD12 LEU 34 2HD1 LEU 34 -22.900 -4.772 13.072 271 HD13 LEU 34 3HD1 LEU 34 -24.560 -4.340 12.660 272 HD21 LEU 34 3HD2 LEU 34 -25.259 -6.071 14.478 273 HD22 LEU 34 1HD2 LEU 34 -23.548 -6.431 14.718 274 HD23 LEU 34 2HD2 LEU 34 -24.673 -7.726 14.309 Start of MODEL 10 1 H1 MET 1 1HT MET 1 11.057 27.218 8.620 2 H2 MET 1 2HT MET 1 9.497 26.601 8.839 3 H3 MET 1 3HT MET 1 9.733 28.268 8.680 4 HA MET 1 HA MET 1 8.847 27.303 6.654 5 HB2 MET 1 2HB MET 1 10.530 28.237 5.116 6 HB3 MET 1 1HB MET 1 10.238 29.292 6.491 7 HG2 MET 1 2HG MET 1 12.282 28.424 7.556 8 HG3 MET 1 1HG MET 1 12.585 27.444 6.123 9 HE1 MET 1 2HE MET 1 11.618 29.428 3.807 10 HE2 MET 1 3HE MET 1 13.097 28.470 3.716 11 HE3 MET 1 1HE MET 1 13.146 30.203 3.385 12 H ASN 2 H ASN 2 10.219 25.097 8.227 13 HA ASN 2 HA ASN 2 10.597 23.338 5.964 14 HB2 ASN 2 2HB ASN 2 12.791 22.550 6.583 15 HB3 ASN 2 1HB ASN 2 12.866 24.296 6.373 16 HD21 ASN 2 1HD2 ASN 2 11.566 24.847 8.924 17 HD22 ASN 2 2HD2 ASN 2 12.743 24.515 10.142 18 H LYS 3 H LYS 3 10.141 21.218 6.426 19 HA LYS 3 HA LYS 3 9.650 20.505 9.229 20 HB2 LYS 3 2HB LYS 3 7.713 19.978 6.967 21 HB3 LYS 3 1HB LYS 3 7.517 19.460 8.635 22 HG2 LYS 3 2HG LYS 3 7.398 21.785 9.355 23 HG3 LYS 3 1HG LYS 3 7.617 22.316 7.688 24 HD2 LYS 3 2HD LYS 3 5.286 22.426 8.158 25 HD3 LYS 3 1HD LYS 3 5.538 21.029 7.110 26 HE2 LYS 3 2HE LYS 3 5.463 19.551 9.044 27 HE3 LYS 3 1HE LYS 3 5.261 20.938 10.112 28 HZ1 LYS 3 3HZ LYS 3 3.356 20.104 7.991 29 HZ2 LYS 3 1HZ LYS 3 3.160 21.424 9.031 30 HZ3 LYS 3 2HZ LYS 3 3.152 19.850 9.650 31 H LYS 4 H LYS 4 9.373 19.094 5.962 32 HA LYS 4 HA LYS 4 10.085 17.117 5.091 33 HB2 LYS 4 2HB LYS 4 12.305 17.379 7.126 34 HB3 LYS 4 1HB LYS 4 12.337 16.398 5.668 35 HG2 LYS 4 2HG LYS 4 12.134 19.402 5.729 36 HG3 LYS 4 1HG LYS 4 13.613 18.483 5.441 37 HD2 LYS 4 2HD LYS 4 12.602 17.487 3.445 38 HD3 LYS 4 1HD LYS 4 11.123 18.406 3.735 39 HE2 LYS 4 2HE LYS 4 13.854 19.553 3.165 40 HE3 LYS 4 1HE LYS 4 12.498 19.485 2.039 41 HZ1 LYS 4 3HZ LYS 4 11.249 20.938 3.502 42 HZ2 LYS 4 1HZ LYS 4 12.711 21.667 3.064 43 HZ3 LYS 4 2HZ LYS 4 12.532 20.988 4.602 44 H ASN 5 H ASN 5 8.129 16.204 6.123 45 HA ASN 5 HA ASN 5 8.759 14.383 8.344 46 HB2 ASN 5 2HB ASN 5 6.887 15.915 8.763 47 HB3 ASN 5 1HB ASN 5 6.071 15.323 7.319 48 HD21 ASN 5 1HD2 ASN 5 7.866 13.281 9.515 49 HD22 ASN 5 2HD2 ASN 5 6.503 12.421 10.135 50 H ILE 6 H ILE 6 6.749 14.431 5.392 51 HA ILE 6 HA ILE 6 6.488 11.629 5.219 52 HB ILE 6 HB ILE 6 6.267 13.678 3.009 53 HG12 ILE 6 2HG1 ILE 6 4.743 14.147 4.874 54 HG13 ILE 6 1HG1 ILE 6 3.853 13.603 3.457 55 HG21 ILE 6 1HG2 ILE 6 4.851 11.977 1.907 56 HG22 ILE 6 2HG2 ILE 6 5.290 10.833 3.174 57 HG23 ILE 6 3HG2 ILE 6 6.529 11.468 2.092 58 HD11 ILE 6 3HD1 ILE 6 4.542 11.922 5.856 59 HD12 ILE 6 1HD1 ILE 6 3.640 11.382 4.439 60 HD13 ILE 6 2HD1 ILE 6 2.966 12.625 5.493 61 H LEU 7 H LEU 7 7.774 10.094 4.396 62 HA LEU 7 HA LEU 7 10.416 10.833 3.479 63 HB2 LEU 7 2HB LEU 7 9.082 8.369 4.416 64 HB3 LEU 7 1HB LEU 7 10.358 8.140 3.236 65 HG LEU 7 HG LEU 7 10.999 9.886 5.540 66 HD11 LEU 7 1HD1 LEU 7 10.736 6.893 5.799 67 HD12 LEU 7 2HD1 LEU 7 9.750 8.097 6.629 68 HD13 LEU 7 3HD1 LEU 7 11.472 7.969 6.987 69 HD21 LEU 7 3HD2 LEU 7 13.133 8.615 5.365 70 HD22 LEU 7 1HD2 LEU 7 12.687 9.476 3.892 71 HD23 LEU 7 2HD2 LEU 7 12.441 7.734 4.002 72 HA PRO 8 HA PRO 8 9.960 10.512 -0.902 73 HB2 PRO 8 2HB PRO 8 12.246 8.612 -0.775 74 HB3 PRO 8 1HB PRO 8 12.044 10.055 -1.775 75 HG2 PRO 8 2HG PRO 8 13.627 10.141 0.308 76 HG3 PRO 8 1HG PRO 8 12.509 11.485 0.016 77 HD2 PRO 8 2HD PRO 8 12.273 9.218 1.966 78 HD3 PRO 8 1HD PRO 8 11.929 10.939 2.187 79 H GLN 9 H GLN 9 10.918 8.201 -2.379 80 HA GLN 9 HA GLN 9 8.552 6.672 -2.391 81 HB2 GLN 9 2HB GLN 9 11.186 6.135 -3.754 82 HB3 GLN 9 1HB GLN 9 9.666 5.349 -4.133 83 HG2 GLN 9 2HG GLN 9 8.720 7.487 -4.828 84 HG3 GLN 9 1HG GLN 9 10.246 8.282 -4.442 85 HE21 GLN 9 1HE2 GLN 9 8.584 6.169 -6.638 86 HE22 GLN 9 2HE2 GLN 9 9.773 6.199 -7.891 87 H GLN 10 H GLN 10 10.850 6.648 -0.240 88 HA GLN 10 HA GLN 10 11.439 3.875 0.084 89 HB2 GLN 10 2HB GLN 10 11.703 6.164 2.040 90 HB3 GLN 10 1HB GLN 10 12.371 4.554 2.270 91 HG2 GLN 10 2HG GLN 10 13.810 4.845 0.343 92 HG3 GLN 10 1HG GLN 10 13.106 6.432 0.035 93 HE21 GLN 10 1HE2 GLN 10 15.198 4.567 2.090 94 HE22 GLN 10 2HE2 GLN 10 15.942 5.905 2.889 95 H GLY 11 H GLY 11 9.232 6.139 1.708 96 HA2 GLY 11 2HA GLY 11 7.848 3.802 2.872 97 HA3 GLY 11 1HA GLY 11 7.948 5.366 3.658 98 H GLN 12 H GLN 12 7.560 5.800 0.406 99 HA GLN 12 HA GLN 12 5.073 6.987 0.598 100 HB2 GLN 12 2HB GLN 12 7.026 6.437 -1.447 101 HB3 GLN 12 1HB GLN 12 5.394 6.320 -2.065 102 HG2 GLN 12 2HG GLN 12 6.561 8.679 -0.618 103 HG3 GLN 12 1HG GLN 12 6.317 8.555 -2.360 104 HE21 GLN 12 1HE2 GLN 12 3.773 7.166 -2.084 105 HE22 GLN 12 2HE2 GLN 12 2.624 8.356 -1.587 106 HA PRO 13 HA PRO 13 3.168 3.047 -1.297 107 HB2 PRO 13 2HB PRO 13 5.054 0.880 -1.229 108 HB3 PRO 13 1HB PRO 13 4.381 1.690 -2.642 109 HG2 PRO 13 2HG PRO 13 7.023 1.843 -1.891 110 HG3 PRO 13 1HG PRO 13 6.194 3.063 -2.874 111 HD2 PRO 13 2HD PRO 13 6.783 3.079 0.065 112 HD3 PRO 13 1HD PRO 13 6.888 4.418 -1.101 113 H VAL 14 H VAL 14 5.083 3.036 1.503 114 HA VAL 14 HA VAL 14 3.962 0.705 2.734 115 HB VAL 14 HB VAL 14 5.289 3.087 4.055 116 HG11 VAL 14 1HG1 VAL 14 5.731 1.525 5.896 117 HG12 VAL 14 2HG1 VAL 14 4.807 0.282 5.053 118 HG13 VAL 14 3HG1 VAL 14 4.004 1.747 5.621 119 HG21 VAL 14 3HG2 VAL 14 7.328 1.717 4.042 120 HG22 VAL 14 1HG2 VAL 14 6.768 2.081 2.409 121 HG23 VAL 14 2HG2 VAL 14 6.483 0.485 3.102 122 H ILE 15 H ILE 15 3.056 3.992 2.289 123 HA ILE 15 HA ILE 15 0.930 3.864 4.282 124 HB ILE 15 HB ILE 15 1.573 6.148 2.424 125 HG12 ILE 15 2HG1 ILE 15 3.556 5.425 3.782 126 HG13 ILE 15 1HG1 ILE 15 3.022 7.067 4.095 127 HG21 ILE 15 1HG2 ILE 15 -0.599 6.291 3.474 128 HG22 ILE 15 2HG2 ILE 15 0.480 7.492 4.183 129 HG23 ILE 15 3HG2 ILE 15 0.115 6.006 5.060 130 HD11 ILE 15 3HD1 ILE 15 2.403 4.674 5.810 131 HD12 ILE 15 1HD1 ILE 15 1.935 6.342 6.142 132 HD13 ILE 15 2HD1 ILE 15 3.639 5.887 6.141 133 H ARG 16 H ARG 16 1.527 3.561 0.944 134 HA ARG 16 HA ARG 16 -1.192 3.951 0.078 135 HB2 ARG 16 2HB ARG 16 -0.277 4.193 -1.925 136 HB3 ARG 16 1HB ARG 16 1.288 4.018 -1.144 137 HG2 ARG 16 2HG ARG 16 1.269 1.653 -1.558 138 HG3 ARG 16 1HG ARG 16 -0.342 1.759 -2.265 139 HD2 ARG 16 2HD ARG 16 0.523 3.267 -3.976 140 HD3 ARG 16 1HD ARG 16 2.145 3.100 -3.307 141 HE ARG 16 HE ARG 16 1.715 0.596 -3.811 142 HH11 ARG 16 1HH1 ARG 16 0.651 3.296 -5.741 143 HH12 ARG 16 2HH1 ARG 16 0.687 2.412 -7.229 144 HH21 ARG 16 1HH2 ARG 16 1.764 -0.576 -5.768 145 HH22 ARG 16 2HH2 ARG 16 1.319 0.213 -7.246 146 H LEU 17 H LEU 17 0.895 1.380 0.994 147 HA LEU 17 HA LEU 17 -0.782 -0.750 0.032 148 HB2 LEU 17 2HB LEU 17 1.716 -0.872 0.354 149 HB3 LEU 17 1HB LEU 17 1.430 -0.883 2.079 150 HG LEU 17 HG LEU 17 0.090 -2.981 1.771 151 HD11 LEU 17 1HD1 LEU 17 1.265 -2.861 -1.003 152 HD12 LEU 17 2HD1 LEU 17 -0.444 -2.735 -0.587 153 HD13 LEU 17 3HD1 LEU 17 0.422 -4.244 -0.301 154 HD21 LEU 17 3HD2 LEU 17 2.064 -4.415 1.520 155 HD22 LEU 17 1HD2 LEU 17 2.383 -3.035 2.572 156 HD23 LEU 17 2HD2 LEU 17 2.981 -3.034 0.913 157 H THR 18 H THR 18 -0.066 0.709 3.167 158 HA THR 18 HA THR 18 -1.536 -0.913 4.834 159 HB THR 18 HB THR 18 -1.112 2.072 4.993 160 HG1 THR 18 1HG THR 18 0.449 -0.144 5.532 161 HG21 THR 18 3HG2 THR 18 -1.941 0.123 7.136 162 HG22 THR 18 1HG2 THR 18 -2.949 1.385 6.431 163 HG23 THR 18 2HG2 THR 18 -1.535 1.821 7.390 164 H ALA 19 H ALA 19 -2.680 2.301 3.824 165 HA ALA 19 HA ALA 19 -5.384 1.693 4.373 166 HB1 ALA 19 1HB ALA 19 -4.515 3.970 4.500 167 HB2 ALA 19 2HB ALA 19 -5.880 3.870 3.387 168 HB3 ALA 19 3HB ALA 19 -4.235 3.962 2.758 169 H GLY 20 H GLY 20 -3.393 0.980 1.745 170 HA2 GLY 20 2HA GLY 20 -5.424 0.994 -0.262 171 HA3 GLY 20 1HA GLY 20 -3.805 0.359 -0.444 172 H GLN 21 H GLN 21 -4.125 -1.316 1.954 173 HA GLN 21 HA GLN 21 -5.274 -3.606 0.648 174 HB2 GLN 21 2HB GLN 21 -3.227 -3.744 2.042 175 HB3 GLN 21 1HB GLN 21 -4.186 -3.340 3.457 176 HG2 GLN 21 2HG GLN 21 -5.428 -5.374 3.280 177 HG3 GLN 21 1HG GLN 21 -4.672 -5.756 1.735 178 HE21 GLN 21 1HE2 GLN 21 -2.903 -4.382 4.404 179 HE22 GLN 21 2HE2 GLN 21 -1.966 -5.787 4.765 180 H LEU 22 H LEU 22 -6.031 -1.663 3.512 181 HA LEU 22 HA LEU 22 -8.316 -3.148 4.277 182 HB2 LEU 22 2HB LEU 22 -7.553 -0.290 4.879 183 HB3 LEU 22 1HB LEU 22 -8.824 -1.184 5.686 184 HG LEU 22 HG LEU 22 -5.900 -1.924 5.750 185 HD11 LEU 22 1HD1 LEU 22 -7.617 -0.601 7.844 186 HD12 LEU 22 2HD1 LEU 22 -6.314 0.164 6.933 187 HD13 LEU 22 3HD1 LEU 22 -5.953 -1.142 8.062 188 HD21 LEU 22 3HD2 LEU 22 -7.363 -3.849 6.003 189 HD22 LEU 22 1HD2 LEU 22 -8.270 -3.014 7.264 190 HD23 LEU 22 2HD2 LEU 22 -6.586 -3.458 7.537 191 H SER 23 H SER 23 -7.947 -0.103 2.457 192 HA SER 23 HA SER 23 -10.704 0.249 2.044 193 HB2 SER 23 2HB SER 23 -9.176 2.132 1.890 194 HB3 SER 23 1HB SER 23 -8.395 1.380 0.506 195 HG SER 23 HG SER 23 -10.262 1.662 -0.684 196 H SER 24 H SER 24 -8.783 -2.069 0.920 197 HA SER 24 HA SER 24 -9.974 -2.298 -1.719 198 HB2 SER 24 2HB SER 24 -7.568 -2.801 -1.438 199 HB3 SER 24 1HB SER 24 -7.988 -4.106 -0.336 200 HG SER 24 HG SER 24 -8.426 -5.326 -1.983 201 H GLN 25 H GLN 25 -9.895 -3.927 1.381 202 HA GLN 25 HA GLN 25 -11.476 -6.146 0.756 203 HB2 GLN 25 2HB GLN 25 -11.050 -4.644 3.340 204 HB3 GLN 25 1HB GLN 25 -11.998 -6.124 3.245 205 HG2 GLN 25 2HG GLN 25 -10.091 -7.377 2.537 206 HG3 GLN 25 1HG GLN 25 -9.126 -5.909 2.379 207 HE21 GLN 25 1HE2 GLN 25 -10.554 -8.183 4.584 208 HE22 GLN 25 2HE2 GLN 25 -9.678 -7.684 5.987 209 H LEU 26 H LEU 26 -12.304 -2.827 1.357 210 HA LEU 26 HA LEU 26 -15.088 -3.337 1.778 211 HB2 LEU 26 2HB LEU 26 -13.830 -0.696 1.096 212 HB3 LEU 26 1HB LEU 26 -15.344 -0.979 1.938 213 HG LEU 26 HG LEU 26 -12.678 -1.795 3.060 214 HD11 LEU 26 1HD1 LEU 26 -12.789 0.226 4.442 215 HD12 LEU 26 2HD1 LEU 26 -14.216 0.753 3.550 216 HD13 LEU 26 3HD1 LEU 26 -12.662 0.615 2.727 217 HD21 LEU 26 3HD2 LEU 26 -13.932 -1.799 5.184 218 HD22 LEU 26 1HD2 LEU 26 -14.569 -2.957 4.015 219 HD23 LEU 26 2HD2 LEU 26 -15.407 -1.429 4.287 220 H ALA 27 H ALA 27 -13.015 -2.329 -0.857 221 HA ALA 27 HA ALA 27 -14.853 -1.471 -2.715 222 HB1 ALA 27 1HB ALA 27 -12.361 -3.078 -3.254 223 HB2 ALA 27 2HB ALA 27 -12.436 -1.329 -3.035 224 HB3 ALA 27 3HB ALA 27 -13.225 -2.079 -4.423 225 H GLU 28 H GLU 28 -14.396 -4.638 -1.493 226 HA GLU 28 HA GLU 28 -16.005 -5.764 -3.585 227 HB2 GLU 28 2HB GLU 28 -15.225 -7.968 -2.390 228 HB3 GLU 28 1HB GLU 28 -14.213 -7.151 -3.579 229 HG2 GLU 28 2HG GLU 28 -13.188 -5.910 -1.704 230 HG3 GLU 28 1HG GLU 28 -14.049 -6.974 -0.606 231 H LEU 29 H LEU 29 -15.610 -5.730 -0.092 232 HA LEU 29 HA LEU 29 -18.477 -6.295 0.182 233 HB2 LEU 29 2HB LEU 29 -16.199 -7.531 1.715 234 HB3 LEU 29 1HB LEU 29 -17.829 -7.497 2.350 235 HG LEU 29 HG LEU 29 -17.532 -9.642 1.416 236 HD11 LEU 29 1HD1 LEU 29 -19.164 -9.741 -0.377 237 HD12 LEU 29 2HD1 LEU 29 -19.005 -8.005 -0.639 238 HD13 LEU 29 3HD1 LEU 29 -19.680 -8.608 0.873 239 HD21 LEU 29 3HD2 LEU 29 -15.526 -8.961 0.050 240 HD22 LEU 29 1HD2 LEU 29 -16.660 -8.445 -1.198 241 HD23 LEU 29 2HD2 LEU 29 -16.609 -10.135 -0.698 242 H SER 30 H SER 30 -18.254 -3.848 0.200 243 HA SER 30 HA SER 30 -17.045 -2.381 2.146 244 HB2 SER 30 2HB SER 30 -18.213 -1.345 0.277 245 HB3 SER 30 1HB SER 30 -19.763 -1.894 0.914 246 HG SER 30 HG SER 30 -19.727 -0.348 2.369 247 H GLU 31 H GLU 31 -20.240 -3.910 2.311 248 HA GLU 31 HA GLU 31 -20.963 -3.008 4.852 249 HB2 GLU 31 2HB GLU 31 -21.715 -5.585 3.462 250 HB3 GLU 31 1HB GLU 31 -22.520 -4.931 4.881 251 HG2 GLU 31 2HG GLU 31 -23.323 -3.067 3.684 252 HG3 GLU 31 1HG GLU 31 -22.327 -3.453 2.281 253 H GLU 32 H GLU 32 -20.451 -3.611 6.873 254 HA GLU 32 HA GLU 32 -19.025 -6.125 7.305 255 HB2 GLU 32 2HB GLU 32 -17.345 -4.967 8.728 256 HB3 GLU 32 1HB GLU 32 -17.229 -4.549 7.024 257 HG2 GLU 32 2HG GLU 32 -18.439 -2.464 7.468 258 HG3 GLU 32 1HG GLU 32 -18.505 -2.883 9.179 259 H ALA 33 H ALA 33 -20.436 -3.237 8.816 260 HA ALA 33 HA ALA 33 -21.587 -2.934 10.758 261 HB1 ALA 33 1HB ALA 33 -22.488 -5.759 10.206 262 HB2 ALA 33 2HB ALA 33 -23.205 -4.297 9.529 263 HB3 ALA 33 3HB ALA 33 -23.290 -4.599 11.264 264 H LEU 34 H LEU 34 -19.709 -2.781 12.069 265 HA LEU 34 HA LEU 34 -18.486 -5.030 13.285 266 HB2 LEU 34 2HB LEU 34 -18.492 -2.129 14.116 267 HB3 LEU 34 1HB LEU 34 -17.445 -3.362 14.793 268 HG LEU 34 HG LEU 34 -17.437 -2.536 11.889 269 HD11 LEU 34 1HD1 LEU 34 -16.704 -0.697 13.303 270 HD12 LEU 34 2HD1 LEU 34 -15.344 -1.387 12.415 271 HD13 LEU 34 3HD1 LEU 34 -15.567 -1.766 14.124 272 HD21 LEU 34 3HD2 LEU 34 -15.335 -3.778 11.804 273 HD22 LEU 34 1HD2 LEU 34 -16.674 -4.823 12.277 274 HD23 LEU 34 2HD2 LEU 34 -15.536 -4.244 13.492 Start of MODEL 11 1 H1 MET 1 1HT MET 1 12.462 24.263 16.001 2 H2 MET 1 2HT MET 1 10.783 24.115 16.141 3 H3 MET 1 3HT MET 1 11.463 24.737 14.722 4 HA MET 1 HA MET 1 12.557 22.600 14.322 5 HB2 MET 1 2HB MET 1 10.917 21.815 16.736 6 HB3 MET 1 1HB MET 1 11.602 20.648 15.615 7 HG2 MET 1 2HG MET 1 13.066 20.779 17.461 8 HG3 MET 1 1HG MET 1 13.854 21.611 16.121 9 HE1 MET 1 2HE MET 1 11.835 23.751 19.679 10 HE2 MET 1 3HE MET 1 11.941 21.998 19.514 11 HE3 MET 1 1HE MET 1 10.916 22.927 18.419 12 H ASN 2 H ASN 2 11.589 21.282 12.803 13 HA ASN 2 HA ASN 2 8.703 21.713 12.390 14 HB2 ASN 2 2HB ASN 2 10.028 22.917 10.714 15 HB3 ASN 2 1HB ASN 2 10.858 21.424 10.286 16 HD21 ASN 2 1HD2 ASN 2 7.457 21.558 11.054 17 HD22 ASN 2 2HD2 ASN 2 6.884 21.233 9.458 18 H LYS 3 H LYS 3 7.498 19.937 12.380 19 HA LYS 3 HA LYS 3 8.799 17.360 11.789 20 HB2 LYS 3 2HB LYS 3 6.660 17.922 13.853 21 HB3 LYS 3 1HB LYS 3 7.253 16.322 13.430 22 HG2 LYS 3 2HG LYS 3 9.467 16.902 14.231 23 HG3 LYS 3 1HG LYS 3 8.922 18.541 14.596 24 HD2 LYS 3 2HD LYS 3 7.341 17.663 16.230 25 HD3 LYS 3 1HD LYS 3 7.840 16.015 15.846 26 HE2 LYS 3 2HE LYS 3 8.910 16.806 17.892 27 HE3 LYS 3 1HE LYS 3 10.099 16.513 16.624 28 HZ1 LYS 3 3HZ LYS 3 8.994 19.175 17.342 29 HZ2 LYS 3 1HZ LYS 3 10.188 18.871 16.180 30 HZ3 LYS 3 2HZ LYS 3 10.508 18.590 17.817 31 H LYS 4 H LYS 4 7.955 18.171 9.602 32 HA LYS 4 HA LYS 4 5.275 17.031 9.209 33 HB2 LYS 4 2HB LYS 4 6.342 19.568 7.958 34 HB3 LYS 4 1HB LYS 4 4.857 18.765 7.465 35 HG2 LYS 4 2HG LYS 4 5.362 19.786 10.250 36 HG3 LYS 4 1HG LYS 4 4.542 20.711 8.991 37 HD2 LYS 4 2HD LYS 4 2.795 19.056 8.848 38 HD3 LYS 4 1HD LYS 4 3.650 18.003 9.977 39 HE2 LYS 4 2HE LYS 4 2.619 20.760 10.635 40 HE3 LYS 4 1HE LYS 4 1.779 19.256 11.016 41 HZ1 LYS 4 3HZ LYS 4 4.473 20.017 12.011 42 HZ2 LYS 4 1HZ LYS 4 3.637 18.598 12.398 43 HZ3 LYS 4 2HZ LYS 4 3.039 20.097 12.906 44 H ASN 5 H ASN 5 7.373 15.440 8.885 45 HA ASN 5 HA ASN 5 7.285 14.820 6.086 46 HB2 ASN 5 2HB ASN 5 9.091 16.478 6.075 47 HB3 ASN 5 1HB ASN 5 9.944 15.575 7.322 48 HD21 ASN 5 1HD2 ASN 5 11.751 15.282 6.038 49 HD22 ASN 5 2HD2 ASN 5 11.764 14.197 4.694 50 H ILE 6 H ILE 6 6.267 13.005 7.176 51 HA ILE 6 HA ILE 6 7.791 11.298 8.888 52 HB ILE 6 HB ILE 6 5.245 10.719 7.367 53 HG12 ILE 6 2HG1 ILE 6 5.630 11.518 10.261 54 HG13 ILE 6 1HG1 ILE 6 5.117 12.618 8.986 55 HG21 ILE 6 1HG2 ILE 6 6.379 8.674 8.004 56 HG22 ILE 6 2HG2 ILE 6 4.945 8.905 9.003 57 HG23 ILE 6 3HG2 ILE 6 6.542 9.254 9.662 58 HD11 ILE 6 3HD1 ILE 6 3.243 11.819 10.332 59 HD12 ILE 6 1HD1 ILE 6 3.625 10.160 9.874 60 HD13 ILE 6 2HD1 ILE 6 3.101 11.315 8.649 61 H LEU 7 H LEU 7 9.666 10.669 7.880 62 HA LEU 7 HA LEU 7 11.043 9.406 6.595 63 HB2 LEU 7 2HB LEU 7 8.435 7.980 6.313 64 HB3 LEU 7 1HB LEU 7 9.798 7.470 5.337 65 HG LEU 7 HG LEU 7 11.103 7.113 7.427 66 HD11 LEU 7 1HD1 LEU 7 9.915 7.034 9.559 67 HD12 LEU 7 2HD1 LEU 7 8.461 7.651 8.775 68 HD13 LEU 7 3HD1 LEU 7 9.904 8.660 8.877 69 HD21 LEU 7 3HD2 LEU 7 8.497 5.606 7.245 70 HD22 LEU 7 1HD2 LEU 7 9.954 5.059 8.075 71 HD23 LEU 7 2HD2 LEU 7 9.961 5.261 6.324 72 HA PRO 8 HA PRO 8 10.850 11.018 2.490 73 HB2 PRO 8 2HB PRO 8 12.696 9.598 1.219 74 HB3 PRO 8 1HB PRO 8 13.118 10.695 2.538 75 HG2 PRO 8 2HG PRO 8 12.846 7.738 2.548 76 HG3 PRO 8 1HG PRO 8 14.021 8.764 3.376 77 HD2 PRO 8 2HD PRO 8 11.759 7.654 4.534 78 HD3 PRO 8 1HD PRO 8 12.668 9.033 5.182 79 H GLN 9 H GLN 9 11.549 9.381 0.180 80 HA GLN 9 HA GLN 9 8.944 8.525 -0.521 81 HB2 GLN 9 2HB GLN 9 11.590 8.323 -1.935 82 HB3 GLN 9 1HB GLN 9 10.091 7.750 -2.639 83 HG2 GLN 9 2HG GLN 9 9.172 10.043 -2.428 84 HG3 GLN 9 1HG GLN 9 10.757 10.577 -1.869 85 HE21 GLN 9 1HE2 GLN 9 12.474 10.648 -3.322 86 HE22 GLN 9 2HE2 GLN 9 12.232 10.601 -5.031 87 H GLN 10 H GLN 10 11.021 7.153 1.398 88 HA GLN 10 HA GLN 10 10.991 4.435 0.478 89 HB2 GLN 10 2HB GLN 10 11.787 5.629 3.135 90 HB3 GLN 10 1HB GLN 10 11.986 3.935 2.709 91 HG2 GLN 10 2HG GLN 10 13.466 4.592 0.863 92 HG3 GLN 10 1HG GLN 10 13.294 6.278 1.346 93 HE21 GLN 10 1HE2 GLN 10 13.279 5.617 4.193 94 HE22 GLN 10 2HE2 GLN 10 14.915 5.244 4.604 95 H GLY 11 H GLY 11 9.218 6.381 2.811 96 HA2 GLY 11 2HA GLY 11 7.612 4.082 3.624 97 HA3 GLY 11 1HA GLY 11 7.555 5.691 4.322 98 H GLN 12 H GLN 12 7.571 5.979 1.045 99 HA GLN 12 HA GLN 12 5.028 7.038 0.853 100 HB2 GLN 12 2HB GLN 12 7.261 6.507 -0.892 101 HB3 GLN 12 1HB GLN 12 5.731 6.285 -1.713 102 HG2 GLN 12 2HG GLN 12 6.617 8.756 -0.254 103 HG3 GLN 12 1HG GLN 12 6.559 8.545 -2.003 104 HE21 GLN 12 1HE2 GLN 12 4.566 8.512 -3.046 105 HE22 GLN 12 2HE2 GLN 12 3.125 9.097 -2.293 106 HA PRO 13 HA PRO 13 3.586 2.929 -1.118 107 HB2 PRO 13 2HB PRO 13 5.551 0.878 -0.593 108 HB3 PRO 13 1HB PRO 13 5.025 1.517 -2.152 109 HG2 PRO 13 2HG PRO 13 7.532 1.912 -1.123 110 HG3 PRO 13 1HG PRO 13 6.747 3.027 -2.257 111 HD2 PRO 13 2HD PRO 13 6.970 3.212 0.730 112 HD3 PRO 13 1HD PRO 13 7.166 4.499 -0.484 113 H VAL 14 H VAL 14 5.019 3.193 1.937 114 HA VAL 14 HA VAL 14 3.803 0.890 3.136 115 HB VAL 14 HB VAL 14 4.846 3.397 4.480 116 HG11 VAL 14 1HG1 VAL 14 4.293 0.641 5.574 117 HG12 VAL 14 2HG1 VAL 14 3.378 2.108 5.921 118 HG13 VAL 14 3HG1 VAL 14 5.050 1.963 6.464 119 HG21 VAL 14 3HG2 VAL 14 6.575 2.331 3.131 120 HG22 VAL 14 1HG2 VAL 14 6.247 0.786 3.913 121 HG23 VAL 14 2HG2 VAL 14 6.905 2.127 4.851 122 H ILE 15 H ILE 15 2.869 4.099 2.333 123 HA ILE 15 HA ILE 15 0.489 4.028 4.017 124 HB ILE 15 HB ILE 15 1.268 6.185 2.063 125 HG12 ILE 15 2HG1 ILE 15 3.137 5.702 3.641 126 HG13 ILE 15 1HG1 ILE 15 2.467 7.314 3.821 127 HG21 ILE 15 1HG2 ILE 15 -1.009 6.293 2.885 128 HG22 ILE 15 2HG2 ILE 15 -0.057 7.614 3.561 129 HG23 ILE 15 3HG2 ILE 15 -0.438 6.205 4.551 130 HD11 ILE 15 3HD1 ILE 15 1.248 6.610 5.794 131 HD12 ILE 15 1HD1 ILE 15 2.968 6.266 5.970 132 HD13 ILE 15 2HD1 ILE 15 1.842 4.962 5.590 133 H ARG 16 H ARG 16 1.537 3.519 0.808 134 HA ARG 16 HA ARG 16 -1.053 3.714 -0.426 135 HB2 ARG 16 2HB ARG 16 0.073 3.760 -2.342 136 HB3 ARG 16 1HB ARG 16 1.511 3.887 -1.337 137 HG2 ARG 16 2HG ARG 16 1.843 1.525 -1.432 138 HG3 ARG 16 1HG ARG 16 0.343 1.308 -2.330 139 HD2 ARG 16 2HD ARG 16 1.236 2.711 -4.121 140 HD3 ARG 16 1HD ARG 16 2.762 2.848 -3.251 141 HE ARG 16 HE ARG 16 2.541 0.204 -3.469 142 HH11 ARG 16 1HH1 ARG 16 2.064 2.719 -5.835 143 HH12 ARG 16 2HH1 ARG 16 2.550 1.730 -7.172 144 HH21 ARG 16 1HH2 ARG 16 3.188 -1.102 -5.222 145 HH22 ARG 16 2HH2 ARG 16 3.188 -0.441 -6.824 146 H LEU 17 H LEU 17 1.020 1.303 0.890 147 HA LEU 17 HA LEU 17 -0.452 -0.963 -0.071 148 HB2 LEU 17 2HB LEU 17 1.979 -0.958 0.589 149 HB3 LEU 17 1HB LEU 17 1.464 -0.827 2.256 150 HG LEU 17 HG LEU 17 0.282 -2.998 2.033 151 HD11 LEU 17 1HD1 LEU 17 0.786 -4.420 0.104 152 HD12 LEU 17 2HD1 LEU 17 1.629 -3.076 -0.664 153 HD13 LEU 17 3HD1 LEU 17 -0.106 -2.973 -0.368 154 HD21 LEU 17 3HD2 LEU 17 2.562 -2.844 2.940 155 HD22 LEU 17 1HD2 LEU 17 3.211 -3.088 1.319 156 HD23 LEU 17 2HD2 LEU 17 2.280 -4.368 2.099 157 H THR 18 H THR 18 -0.202 0.728 3.029 158 HA THR 18 HA THR 18 -1.874 -0.831 4.571 159 HB THR 18 HB THR 18 -1.522 2.169 4.624 160 HG1 THR 18 1HG THR 18 -0.269 0.879 6.601 161 HG21 THR 18 3HG2 THR 18 -2.573 0.293 6.735 162 HG22 THR 18 1HG2 THR 18 -3.503 1.509 5.862 163 HG23 THR 18 2HG2 THR 18 -2.224 2.005 6.969 164 H ALA 19 H ALA 19 -2.876 2.302 3.212 165 HA ALA 19 HA ALA 19 -5.629 1.716 3.432 166 HB1 ALA 19 1HB ALA 19 -5.983 3.801 2.225 167 HB2 ALA 19 2HB ALA 19 -4.275 3.850 1.788 168 HB3 ALA 19 3HB ALA 19 -4.759 4.004 3.477 169 H GLY 20 H GLY 20 -3.317 0.746 1.191 170 HA2 GLY 20 2HA GLY 20 -5.034 0.619 -1.084 171 HA3 GLY 20 1HA GLY 20 -3.433 -0.072 -0.969 172 H GLN 21 H GLN 21 -4.013 -1.579 1.407 173 HA GLN 21 HA GLN 21 -5.404 -3.812 0.150 174 HB2 GLN 21 2HB GLN 21 -3.163 -4.018 1.346 175 HB3 GLN 21 1HB GLN 21 -4.049 -3.793 2.846 176 HG2 GLN 21 2HG GLN 21 -5.386 -5.781 2.351 177 HG3 GLN 21 1HG GLN 21 -4.477 -6.014 0.859 178 HE21 GLN 21 1HE2 GLN 21 -4.763 -7.754 3.194 179 HE22 GLN 21 2HE2 GLN 21 -3.159 -8.058 3.760 180 H LEU 22 H LEU 22 -5.627 -1.703 2.941 181 HA LEU 22 HA LEU 22 -7.809 -2.974 4.207 182 HB2 LEU 22 2HB LEU 22 -6.190 -1.250 5.165 183 HB3 LEU 22 1HB LEU 22 -7.163 -0.037 4.359 184 HG LEU 22 HG LEU 22 -9.130 -0.777 5.678 185 HD11 LEU 22 1HD1 LEU 22 -7.112 -2.503 7.104 186 HD12 LEU 22 2HD1 LEU 22 -8.453 -3.073 6.111 187 HD13 LEU 22 3HD1 LEU 22 -8.773 -2.221 7.622 188 HD21 LEU 22 3HD2 LEU 22 -7.856 1.120 6.441 189 HD22 LEU 22 1HD2 LEU 22 -6.689 0.063 7.235 190 HD23 LEU 22 2HD2 LEU 22 -8.346 0.155 7.832 191 H SER 23 H SER 23 -7.748 0.024 2.248 192 HA SER 23 HA SER 23 -10.531 0.253 2.112 193 HB2 SER 23 2HB SER 23 -9.061 2.165 1.708 194 HB3 SER 23 1HB SER 23 -8.483 1.388 0.241 195 HG SER 23 HG SER 23 -10.468 3.010 0.384 196 H SER 24 H SER 24 -8.559 -1.941 0.726 197 HA SER 24 HA SER 24 -10.073 -2.345 -1.703 198 HB2 SER 24 2HB SER 24 -7.636 -2.753 -1.679 199 HB3 SER 24 1HB SER 24 -7.878 -4.033 -0.495 200 HG SER 24 HG SER 24 -9.510 -4.563 -2.469 201 H GLN 25 H GLN 25 -9.580 -3.895 1.411 202 HA GLN 25 HA GLN 25 -11.130 -6.186 1.017 203 HB2 GLN 25 2HB GLN 25 -10.543 -4.595 3.517 204 HB3 GLN 25 1HB GLN 25 -11.378 -6.143 3.533 205 HG2 GLN 25 2HG GLN 25 -9.459 -7.268 2.678 206 HG3 GLN 25 1HG GLN 25 -8.632 -5.742 2.375 207 HE21 GLN 25 1HE2 GLN 25 -9.629 -8.036 4.782 208 HE22 GLN 25 2HE2 GLN 25 -8.654 -7.421 6.068 209 H LEU 26 H LEU 26 -12.039 -2.891 1.628 210 HA LEU 26 HA LEU 26 -14.747 -3.507 2.336 211 HB2 LEU 26 2HB LEU 26 -13.688 -0.823 1.505 212 HB3 LEU 26 1HB LEU 26 -15.076 -1.168 2.520 213 HG LEU 26 HG LEU 26 -12.278 -1.876 3.348 214 HD11 LEU 26 1HD1 LEU 26 -12.276 0.196 4.671 215 HD12 LEU 26 2HD1 LEU 26 -13.790 0.675 3.903 216 HD13 LEU 26 3HD1 LEU 26 -12.323 0.517 2.937 217 HD21 LEU 26 3HD2 LEU 26 -14.076 -3.011 4.530 218 HD22 LEU 26 1HD2 LEU 26 -14.837 -1.461 4.889 219 HD23 LEU 26 2HD2 LEU 26 -13.266 -1.855 5.589 220 H ALA 27 H ALA 27 -12.970 -2.539 -0.505 221 HA ALA 27 HA ALA 27 -14.964 -1.698 -2.192 222 HB1 ALA 27 1HB ALA 27 -13.535 -2.386 -4.035 223 HB2 ALA 27 2HB ALA 27 -12.585 -3.389 -2.939 224 HB3 ALA 27 3HB ALA 27 -12.586 -1.635 -2.752 225 H GLU 28 H GLU 28 -14.247 -4.952 -1.147 226 HA GLU 28 HA GLU 28 -15.864 -6.211 -3.076 227 HB2 GLU 28 2HB GLU 28 -15.118 -8.191 -2.260 228 HB3 GLU 28 1HB GLU 28 -13.829 -7.122 -1.716 229 HG2 GLU 28 2HG GLU 28 -14.782 -6.972 0.444 230 HG3 GLU 28 1HG GLU 28 -16.209 -7.843 -0.089 231 H LEU 29 H LEU 29 -16.314 -5.045 0.167 232 HA LEU 29 HA LEU 29 -19.163 -5.690 -0.068 233 HB2 LEU 29 2HB LEU 29 -17.423 -6.987 1.665 234 HB3 LEU 29 1HB LEU 29 -18.209 -5.792 2.677 235 HG LEU 29 HG LEU 29 -19.371 -7.936 2.768 236 HD11 LEU 29 1HD1 LEU 29 -20.943 -5.805 1.329 237 HD12 LEU 29 2HD1 LEU 29 -20.673 -5.905 3.069 238 HD13 LEU 29 3HD1 LEU 29 -21.627 -7.144 2.251 239 HD21 LEU 29 3HD2 LEU 29 -20.509 -8.833 0.815 240 HD22 LEU 29 1HD2 LEU 29 -18.770 -8.740 0.534 241 HD23 LEU 29 2HD2 LEU 29 -19.845 -7.539 -0.183 242 H SER 30 H SER 30 -18.430 -3.271 -0.782 243 HA SER 30 HA SER 30 -18.024 -1.317 1.108 244 HB2 SER 30 2HB SER 30 -17.862 -0.874 -1.284 245 HB3 SER 30 1HB SER 30 -19.597 -1.127 -1.465 246 HG SER 30 HG SER 30 -18.759 0.770 0.396 247 H GLU 31 H GLU 31 -21.125 -2.457 -0.206 248 HA GLU 31 HA GLU 31 -22.797 -0.835 1.311 249 HB2 GLU 31 2HB GLU 31 -23.282 -3.615 0.235 250 HB3 GLU 31 1HB GLU 31 -24.538 -2.579 0.895 251 HG2 GLU 31 2HG GLU 31 -24.649 -2.395 -1.456 252 HG3 GLU 31 1HG GLU 31 -23.944 -0.894 -0.857 253 H GLU 32 H GLU 32 -23.214 -0.746 3.410 254 HA GLU 32 HA GLU 32 -22.097 -2.660 5.223 255 HB2 GLU 32 2HB GLU 32 -23.898 -0.276 5.668 256 HB3 GLU 32 1HB GLU 32 -23.213 -1.245 6.965 257 HG2 GLU 32 2HG GLU 32 -21.629 0.288 4.918 258 HG3 GLU 32 1HG GLU 32 -21.956 0.818 6.566 259 H ALA 33 H ALA 33 -23.032 -4.365 6.157 260 HA ALA 33 HA ALA 33 -25.808 -4.961 5.474 261 HB1 ALA 33 1HB ALA 33 -23.705 -6.715 6.741 262 HB2 ALA 33 2HB ALA 33 -24.118 -6.673 5.026 263 HB3 ALA 33 3HB ALA 33 -25.303 -7.233 6.206 264 H LEU 34 H LEU 34 -27.424 -5.213 6.947 265 HA LEU 34 HA LEU 34 -27.154 -3.910 9.459 266 HB2 LEU 34 2HB LEU 34 -29.403 -5.626 8.406 267 HB3 LEU 34 1HB LEU 34 -29.491 -4.599 9.823 268 HG LEU 34 HG LEU 34 -29.044 -3.618 7.001 269 HD11 LEU 34 1HD1 LEU 34 -31.328 -2.761 7.162 270 HD12 LEU 34 2HD1 LEU 34 -31.507 -3.533 8.738 271 HD13 LEU 34 3HD1 LEU 34 -31.285 -4.519 7.292 272 HD21 LEU 34 3HD2 LEU 34 -28.020 -2.163 8.657 273 HD22 LEU 34 1HD2 LEU 34 -29.522 -2.129 9.582 274 HD23 LEU 34 2HD2 LEU 34 -29.458 -1.401 7.976 Start of MODEL 12 1 H1 MET 1 1HT MET 1 13.619 15.067 18.154 2 H2 MET 1 2HT MET 1 14.736 15.172 16.889 3 H3 MET 1 3HT MET 1 15.235 15.444 18.482 4 HA MET 1 HA MET 1 15.929 13.270 17.708 5 HB2 MET 1 2HB MET 1 15.464 13.603 20.088 6 HB3 MET 1 1HB MET 1 13.767 13.224 19.825 7 HG2 MET 1 2HG MET 1 14.960 11.344 20.796 8 HG3 MET 1 1HG MET 1 14.349 10.956 19.189 9 HE1 MET 1 2HE MET 1 17.675 8.892 19.387 10 HE2 MET 1 3HE MET 1 15.946 8.829 19.046 11 HE3 MET 1 1HE MET 1 16.510 9.195 20.676 12 H ASN 2 H ASN 2 15.438 12.322 15.816 13 HA ASN 2 HA ASN 2 12.826 10.984 15.630 14 HB2 ASN 2 2HB ASN 2 12.719 11.486 13.236 15 HB3 ASN 2 1HB ASN 2 12.785 12.972 14.179 16 HD21 ASN 2 1HD2 ASN 2 13.501 12.457 11.390 17 HD22 ASN 2 2HD2 ASN 2 15.147 12.955 11.226 18 H LYS 3 H LYS 3 12.891 9.295 13.799 19 HA LYS 3 HA LYS 3 15.527 7.989 13.741 20 HB2 LYS 3 2HB LYS 3 12.853 6.689 14.272 21 HB3 LYS 3 1HB LYS 3 14.328 5.797 13.928 22 HG2 LYS 3 2HG LYS 3 13.907 7.648 16.267 23 HG3 LYS 3 1HG LYS 3 13.844 5.886 16.321 24 HD2 LYS 3 2HD LYS 3 16.253 7.521 15.522 25 HD3 LYS 3 1HD LYS 3 16.006 6.780 17.104 26 HE2 LYS 3 2HE LYS 3 16.220 5.326 14.469 27 HE3 LYS 3 1HE LYS 3 17.467 5.410 15.713 28 HZ1 LYS 3 3HZ LYS 3 16.228 3.333 15.813 29 HZ2 LYS 3 1HZ LYS 3 14.784 4.182 16.049 30 HZ3 LYS 3 2HZ LYS 3 16.000 4.238 17.223 31 H LYS 4 H LYS 4 15.079 9.450 11.657 32 HA LYS 4 HA LYS 4 14.790 9.534 9.402 33 HB2 LYS 4 2HB LYS 4 15.197 6.551 9.676 34 HB3 LYS 4 1HB LYS 4 15.321 7.459 8.175 35 HG2 LYS 4 2HG LYS 4 17.065 7.869 10.594 36 HG3 LYS 4 1HG LYS 4 17.510 6.943 9.160 37 HD2 LYS 4 2HD LYS 4 17.230 8.974 7.793 38 HD3 LYS 4 1HD LYS 4 16.848 9.887 9.253 39 HE2 LYS 4 2HE LYS 4 19.171 10.220 8.634 40 HE3 LYS 4 1HE LYS 4 19.062 9.343 10.160 41 HZ1 LYS 4 3HZ LYS 4 19.582 8.135 7.497 42 HZ2 LYS 4 1HZ LYS 4 19.453 7.280 8.952 43 HZ3 LYS 4 2HZ LYS 4 20.726 8.368 8.721 44 H ASN 5 H ASN 5 12.429 9.859 10.436 45 HA ASN 5 HA ASN 5 10.521 7.864 9.616 46 HB2 ASN 5 2HB ASN 5 10.231 9.382 11.607 47 HB3 ASN 5 1HB ASN 5 9.980 10.710 10.481 48 HD21 ASN 5 1HD2 ASN 5 8.185 9.589 12.476 49 HD22 ASN 5 2HD2 ASN 5 6.764 9.099 11.623 50 H ILE 6 H ILE 6 11.662 10.983 8.442 51 HA ILE 6 HA ILE 6 9.765 11.145 6.302 52 HB ILE 6 HB ILE 6 12.366 12.641 6.666 53 HG12 ILE 6 2HG1 ILE 6 9.550 13.502 7.367 54 HG13 ILE 6 1HG1 ILE 6 10.727 12.911 8.536 55 HG21 ILE 6 1HG2 ILE 6 9.977 13.249 4.929 56 HG22 ILE 6 2HG2 ILE 6 11.551 12.686 4.368 57 HG23 ILE 6 3HG2 ILE 6 11.401 14.271 5.125 58 HD11 ILE 6 3HD1 ILE 6 12.197 14.789 7.986 59 HD12 ILE 6 1HD1 ILE 6 10.622 15.323 8.573 60 HD13 ILE 6 2HD1 ILE 6 10.988 15.388 6.849 61 H LEU 7 H LEU 7 9.829 9.641 4.746 62 HA LEU 7 HA LEU 7 12.446 9.002 3.556 63 HB2 LEU 7 2HB LEU 7 10.087 7.292 4.179 64 HB3 LEU 7 1HB LEU 7 11.045 6.900 2.763 65 HG LEU 7 HG LEU 7 12.367 7.258 5.425 66 HD11 LEU 7 1HD1 LEU 7 11.100 4.723 4.396 67 HD12 LEU 7 2HD1 LEU 7 10.568 5.656 5.796 68 HD13 LEU 7 3HD1 LEU 7 12.140 4.855 5.816 69 HD21 LEU 7 3HD2 LEU 7 13.999 5.725 4.454 70 HD22 LEU 7 1HD2 LEU 7 13.774 7.151 3.441 71 HD23 LEU 7 2HD2 LEU 7 13.028 5.619 2.986 72 HA PRO 8 HA PRO 8 10.922 10.470 -0.308 73 HB2 PRO 8 2HB PRO 8 12.322 9.007 -2.062 74 HB3 PRO 8 1HB PRO 8 13.068 10.256 -1.061 75 HG2 PRO 8 2HG PRO 8 13.022 7.301 -0.680 76 HG3 PRO 8 1HG PRO 8 14.355 8.443 -0.467 77 HD2 PRO 8 2HD PRO 8 12.881 7.456 1.600 78 HD3 PRO 8 1HD PRO 8 13.676 9.042 1.635 79 H GLN 9 H GLN 9 11.026 8.570 -2.598 80 HA GLN 9 HA GLN 9 8.335 7.739 -2.528 81 HB2 GLN 9 2HB GLN 9 10.545 7.107 -4.476 82 HB3 GLN 9 1HB GLN 9 8.858 6.704 -4.732 83 HG2 GLN 9 2HG GLN 9 8.260 9.046 -4.739 84 HG3 GLN 9 1HG GLN 9 9.927 9.491 -4.380 85 HE21 GLN 9 1HE2 GLN 9 9.065 6.905 -6.556 86 HE22 GLN 9 2HE2 GLN 9 9.590 7.684 -8.006 87 H GLN 10 H GLN 10 10.771 6.511 -0.962 88 HA GLN 10 HA GLN 10 10.458 3.703 -1.481 89 HB2 GLN 10 2HB GLN 10 11.921 5.137 0.739 90 HB3 GLN 10 1HB GLN 10 12.007 3.411 0.421 91 HG2 GLN 10 2HG GLN 10 12.984 3.863 -1.771 92 HG3 GLN 10 1HG GLN 10 12.899 5.593 -1.449 93 HE21 GLN 10 1HE2 GLN 10 15.114 5.851 -1.644 94 HE22 GLN 10 2HE2 GLN 10 16.222 5.287 -0.445 95 H GLY 11 H GLY 11 9.400 5.998 0.985 96 HA2 GLY 11 2HA GLY 11 7.937 3.851 2.351 97 HA3 GLY 11 1HA GLY 11 8.260 5.449 3.002 98 H GLN 12 H GLN 12 7.342 5.817 -0.126 99 HA GLN 12 HA GLN 12 4.905 7.019 0.505 100 HB2 GLN 12 2HB GLN 12 6.566 6.629 -1.832 101 HB3 GLN 12 1HB GLN 12 4.858 6.604 -2.209 102 HG2 GLN 12 2HG GLN 12 6.206 8.790 -0.657 103 HG3 GLN 12 1HG GLN 12 5.936 8.838 -2.398 104 HE21 GLN 12 1HE2 GLN 12 4.645 10.666 -2.241 105 HE22 GLN 12 2HE2 GLN 12 3.038 10.610 -1.610 106 HA PRO 13 HA PRO 13 2.855 3.160 -1.495 107 HB2 PRO 13 2HB PRO 13 4.852 1.045 -1.518 108 HB3 PRO 13 1HB PRO 13 3.960 1.737 -2.875 109 HG2 PRO 13 2HG PRO 13 6.631 2.101 -2.534 110 HG3 PRO 13 1HG PRO 13 5.587 3.304 -3.317 111 HD2 PRO 13 2HD PRO 13 6.596 3.231 -0.488 112 HD3 PRO 13 1HD PRO 13 6.515 4.615 -1.604 113 H VAL 14 H VAL 14 4.867 3.172 1.220 114 HA VAL 14 HA VAL 14 3.808 0.801 2.453 115 HB VAL 14 HB VAL 14 5.213 3.120 3.797 116 HG11 VAL 14 1HG1 VAL 14 5.790 1.458 5.503 117 HG12 VAL 14 2HG1 VAL 14 4.854 0.243 4.631 118 HG13 VAL 14 3HG1 VAL 14 4.044 1.642 5.337 119 HG21 VAL 14 3HG2 VAL 14 7.269 1.794 3.564 120 HG22 VAL 14 1HG2 VAL 14 6.602 2.261 2.000 121 HG23 VAL 14 2HG2 VAL 14 6.386 0.615 2.594 122 H ILE 15 H ILE 15 2.904 4.091 2.093 123 HA ILE 15 HA ILE 15 0.941 3.994 4.245 124 HB ILE 15 HB ILE 15 1.380 6.233 2.278 125 HG12 ILE 15 2HG1 ILE 15 3.512 5.589 3.413 126 HG13 ILE 15 1HG1 ILE 15 2.973 7.216 3.793 127 HG21 ILE 15 1HG2 ILE 15 -0.666 6.391 3.546 128 HG22 ILE 15 2HG2 ILE 15 0.471 7.612 4.112 129 HG23 ILE 15 3HG2 ILE 15 0.210 6.145 5.055 130 HD11 ILE 15 3HD1 ILE 15 2.640 4.797 5.551 131 HD12 ILE 15 1HD1 ILE 15 2.119 6.436 5.940 132 HD13 ILE 15 2HD1 ILE 15 3.836 6.076 5.758 133 H ARG 16 H ARG 16 1.237 3.521 0.891 134 HA ARG 16 HA ARG 16 -1.591 3.841 0.346 135 HB2 ARG 16 2HB ARG 16 -0.909 4.235 -1.726 136 HB3 ARG 16 1HB ARG 16 0.751 3.991 -1.199 137 HG2 ARG 16 2HG ARG 16 0.638 1.675 -1.735 138 HG3 ARG 16 1HG ARG 16 -1.079 1.790 -2.110 139 HD2 ARG 16 2HD ARG 16 0.081 1.810 -4.185 140 HD3 ARG 16 1HD ARG 16 -0.494 3.449 -3.875 141 HE ARG 16 HE ARG 16 2.164 3.078 -2.934 142 HH11 ARG 16 1HH1 ARG 16 0.282 3.614 -5.816 143 HH12 ARG 16 2HH1 ARG 16 1.573 4.393 -6.668 144 HH21 ARG 16 1HH2 ARG 16 3.870 4.098 -4.048 145 HH22 ARG 16 2HH2 ARG 16 3.614 4.666 -5.664 146 H LEU 17 H LEU 17 0.762 1.411 0.975 147 HA LEU 17 HA LEU 17 -0.853 -0.827 0.196 148 HB2 LEU 17 2HB LEU 17 1.683 -0.789 0.364 149 HB3 LEU 17 1HB LEU 17 1.485 -0.832 2.103 150 HG LEU 17 HG LEU 17 0.250 -2.997 1.844 151 HD11 LEU 17 1HD1 LEU 17 0.494 -4.216 -0.253 152 HD12 LEU 17 2HD1 LEU 17 1.261 -2.807 -0.989 153 HD13 LEU 17 3HD1 LEU 17 -0.427 -2.730 -0.483 154 HD21 LEU 17 3HD2 LEU 17 2.268 -4.329 1.469 155 HD22 LEU 17 1HD2 LEU 17 2.596 -2.936 2.499 156 HD23 LEU 17 2HD2 LEU 17 3.079 -2.912 0.804 157 H THR 18 H THR 18 -0.140 0.863 3.197 158 HA THR 18 HA THR 18 -1.376 -0.859 5.003 159 HB THR 18 HB THR 18 -1.044 2.141 5.072 160 HG1 THR 18 1HG THR 18 0.505 -0.054 5.978 161 HG21 THR 18 3HG2 THR 18 -2.793 1.505 6.609 162 HG22 THR 18 1HG2 THR 18 -1.337 1.923 7.509 163 HG23 THR 18 2HG2 THR 18 -1.780 0.230 7.282 164 H ALA 19 H ALA 19 -2.695 2.286 3.985 165 HA ALA 19 HA ALA 19 -5.335 1.615 4.712 166 HB1 ALA 19 1HB ALA 19 -4.549 3.927 4.642 167 HB2 ALA 19 2HB ALA 19 -5.975 3.705 3.627 168 HB3 ALA 19 3HB ALA 19 -4.377 3.816 2.890 169 H GLY 20 H GLY 20 -3.466 0.860 1.997 170 HA2 GLY 20 2HA GLY 20 -5.553 0.677 0.088 171 HA3 GLY 20 1HA GLY 20 -3.952 -0.006 -0.075 172 H GLN 21 H GLN 21 -4.034 -1.561 2.286 173 HA GLN 21 HA GLN 21 -5.198 -3.929 1.288 174 HB2 GLN 21 2HB GLN 21 -3.240 -3.853 2.815 175 HB3 GLN 21 1HB GLN 21 -4.304 -3.338 4.115 176 HG2 GLN 21 2HG GLN 21 -3.954 -5.644 4.414 177 HG3 GLN 21 1HG GLN 21 -5.586 -5.470 3.773 178 HE21 GLN 21 1HE2 GLN 21 -3.778 -7.763 3.723 179 HE22 GLN 21 2HE2 GLN 21 -3.582 -8.180 2.058 180 H LEU 22 H LEU 22 -6.171 -1.740 3.907 181 HA LEU 22 HA LEU 22 -8.501 -3.222 4.592 182 HB2 LEU 22 2HB LEU 22 -7.558 -0.434 5.214 183 HB3 LEU 22 1HB LEU 22 -9.116 -1.021 5.754 184 HG LEU 22 HG LEU 22 -7.906 -2.893 6.930 185 HD11 LEU 22 1HD1 LEU 22 -5.827 -2.818 5.668 186 HD12 LEU 22 2HD1 LEU 22 -5.526 -2.576 7.389 187 HD13 LEU 22 3HD1 LEU 22 -5.495 -1.199 6.286 188 HD21 LEU 22 3HD2 LEU 22 -8.746 -0.933 8.115 189 HD22 LEU 22 1HD2 LEU 22 -7.244 -0.075 7.773 190 HD23 LEU 22 2HD2 LEU 22 -7.230 -1.500 8.814 191 H SER 23 H SER 23 -7.915 -0.363 2.574 192 HA SER 23 HA SER 23 -10.643 0.047 1.979 193 HB2 SER 23 2HB SER 23 -9.043 1.882 1.819 194 HB3 SER 23 1HB SER 23 -8.214 1.031 0.523 195 HG SER 23 HG SER 23 -10.335 2.645 0.364 196 H SER 24 H SER 24 -8.768 -2.415 1.207 197 HA SER 24 HA SER 24 -9.725 -2.781 -1.513 198 HB2 SER 24 2HB SER 24 -7.362 -3.295 -1.062 199 HB3 SER 24 1HB SER 24 -7.853 -4.491 0.134 200 HG SER 24 HG SER 24 -9.027 -5.500 -1.677 201 H GLN 25 H GLN 25 -9.806 -4.360 1.645 202 HA GLN 25 HA GLN 25 -11.504 -6.484 0.959 203 HB2 GLN 25 2HB GLN 25 -10.983 -5.071 3.575 204 HB3 GLN 25 1HB GLN 25 -12.047 -6.468 3.452 205 HG2 GLN 25 2HG GLN 25 -9.150 -6.450 2.636 206 HG3 GLN 25 1HG GLN 25 -9.751 -7.012 4.194 207 HE21 GLN 25 1HE2 GLN 25 -8.311 -8.461 2.116 208 HE22 GLN 25 2HE2 GLN 25 -9.316 -9.796 1.677 209 H LEU 26 H LEU 26 -12.106 -3.137 1.600 210 HA LEU 26 HA LEU 26 -14.946 -3.502 1.911 211 HB2 LEU 26 2HB LEU 26 -13.467 -0.901 1.637 212 HB3 LEU 26 1HB LEU 26 -15.056 -1.161 2.336 213 HG LEU 26 HG LEU 26 -12.546 -2.312 3.522 214 HD11 LEU 26 1HD1 LEU 26 -13.932 0.274 4.222 215 HD12 LEU 26 2HD1 LEU 26 -12.336 0.113 3.487 216 HD13 LEU 26 3HD1 LEU 26 -12.614 -0.465 5.131 217 HD21 LEU 26 3HD2 LEU 26 -13.936 -2.498 5.534 218 HD22 LEU 26 1HD2 LEU 26 -14.610 -3.411 4.183 219 HD23 LEU 26 2HD2 LEU 26 -15.311 -1.856 4.635 220 H ALA 27 H ALA 27 -12.658 -2.270 -0.451 221 HA ALA 27 HA ALA 27 -14.326 -1.097 -2.285 222 HB1 ALA 27 1HB ALA 27 -11.899 -1.070 -2.483 223 HB2 ALA 27 2HB ALA 27 -12.644 -1.634 -3.979 224 HB3 ALA 27 3HB ALA 27 -11.902 -2.789 -2.872 225 H GLU 28 H GLU 28 -13.593 -4.533 -1.907 226 HA GLU 28 HA GLU 28 -15.148 -5.340 -4.102 227 HB2 GLU 28 2HB GLU 28 -14.396 -7.458 -3.725 228 HB3 GLU 28 1HB GLU 28 -13.118 -6.500 -2.981 229 HG2 GLU 28 2HG GLU 28 -14.056 -6.815 -0.828 230 HG3 GLU 28 1HG GLU 28 -15.465 -7.598 -1.524 231 H LEU 29 H LEU 29 -15.758 -4.857 -0.730 232 HA LEU 29 HA LEU 29 -18.550 -5.614 -1.189 233 HB2 LEU 29 2HB LEU 29 -16.775 -7.112 0.346 234 HB3 LEU 29 1HB LEU 29 -17.689 -6.191 1.523 235 HG LEU 29 HG LEU 29 -18.697 -8.376 1.155 236 HD11 LEU 29 1HD1 LEU 29 -20.363 -6.147 -0.003 237 HD12 LEU 29 2HD1 LEU 29 -20.160 -6.505 1.712 238 HD13 LEU 29 3HD1 LEU 29 -20.974 -7.663 0.660 239 HD21 LEU 29 3HD2 LEU 29 -19.016 -7.484 -1.707 240 HD22 LEU 29 1HD2 LEU 29 -19.678 -8.959 -1.004 241 HD23 LEU 29 2HD2 LEU 29 -17.931 -8.748 -1.129 242 H SER 30 H SER 30 -18.202 -3.122 -1.445 243 HA SER 30 HA SER 30 -17.828 -1.462 0.717 244 HB2 SER 30 2HB SER 30 -17.902 -0.630 -1.578 245 HB3 SER 30 1HB SER 30 -19.617 -1.030 -1.681 246 HG SER 30 HG SER 30 -19.467 1.126 -1.184 247 H GLU 31 H GLU 31 -20.854 -2.823 -0.531 248 HA GLU 31 HA GLU 31 -22.603 -1.613 1.267 249 HB2 GLU 31 2HB GLU 31 -22.875 -4.341 -0.005 250 HB3 GLU 31 1HB GLU 31 -24.179 -3.381 0.676 251 HG2 GLU 31 2HG GLU 31 -23.985 -1.749 -1.014 252 HG3 GLU 31 1HG GLU 31 -22.487 -2.454 -1.618 253 H GLU 32 H GLU 32 -22.502 -1.694 3.408 254 HA GLU 32 HA GLU 32 -21.249 -3.850 4.817 255 HB2 GLU 32 2HB GLU 32 -22.824 -1.456 5.777 256 HB3 GLU 32 1HB GLU 32 -22.026 -2.597 6.850 257 HG2 GLU 32 2HG GLU 32 -19.869 -2.022 5.880 258 HG3 GLU 32 1HG GLU 32 -20.658 -0.900 4.773 259 H ALA 33 H ALA 33 -22.275 -5.153 6.463 260 HA ALA 33 HA ALA 33 -25.080 -5.777 5.803 261 HB1 ALA 33 1HB ALA 33 -23.514 -7.553 5.179 262 HB2 ALA 33 2HB ALA 33 -24.617 -8.078 6.453 263 HB3 ALA 33 3HB ALA 33 -22.954 -7.644 6.849 264 H LEU 34 H LEU 34 -26.430 -6.550 7.543 265 HA LEU 34 HA LEU 34 -25.533 -6.138 10.266 266 HB2 LEU 34 2HB LEU 34 -26.151 -3.873 9.564 267 HB3 LEU 34 1HB LEU 34 -27.735 -4.446 9.080 268 HG LEU 34 HG LEU 34 -28.195 -5.049 11.452 269 HD11 LEU 34 1HD1 LEU 34 -25.600 -3.606 11.973 270 HD12 LEU 34 2HD1 LEU 34 -25.892 -5.329 12.202 271 HD13 LEU 34 3HD1 LEU 34 -26.747 -4.150 13.198 272 HD21 LEU 34 3HD2 LEU 34 -27.452 -2.169 10.957 273 HD22 LEU 34 1HD2 LEU 34 -28.539 -2.756 12.215 274 HD23 LEU 34 2HD2 LEU 34 -28.977 -2.937 10.517 Start of MODEL 13 1 H1 MET 1 1HT MET 1 7.409 11.760 21.331 2 H2 MET 1 2HT MET 1 6.958 11.618 22.956 3 H3 MET 1 3HT MET 1 7.488 10.257 22.103 4 HA MET 1 HA MET 1 9.144 12.638 22.693 5 HB2 MET 1 2HB MET 1 9.081 9.909 23.996 6 HB3 MET 1 1HB MET 1 10.336 11.110 24.267 7 HG2 MET 1 2HG MET 1 7.414 11.454 24.899 8 HG3 MET 1 1HG MET 1 8.685 11.085 26.062 9 HE1 MET 1 2HE MET 1 10.862 14.344 25.935 10 HE2 MET 1 3HE MET 1 11.086 12.875 24.984 11 HE3 MET 1 1HE MET 1 10.653 12.764 26.690 12 H ASN 2 H ASN 2 9.067 11.941 20.134 13 HA ASN 2 HA ASN 2 11.717 10.948 19.656 14 HB2 ASN 2 2HB ASN 2 10.503 8.822 19.834 15 HB3 ASN 2 1HB ASN 2 9.366 9.360 18.603 16 HD21 ASN 2 1HD2 ASN 2 10.028 9.474 16.460 17 HD22 ASN 2 2HD2 ASN 2 11.454 8.679 15.897 18 H LYS 3 H LYS 3 12.556 11.861 17.874 19 HA LYS 3 HA LYS 3 10.744 12.900 15.819 20 HB2 LYS 3 2HB LYS 3 12.931 14.496 17.164 21 HB3 LYS 3 1HB LYS 3 12.043 15.017 15.740 22 HG2 LYS 3 2HG LYS 3 9.955 14.941 17.061 23 HG3 LYS 3 1HG LYS 3 10.911 14.530 18.486 24 HD2 LYS 3 2HD LYS 3 11.306 17.025 16.838 25 HD3 LYS 3 1HD LYS 3 10.332 16.950 18.308 26 HE2 LYS 3 2HE LYS 3 13.276 16.325 18.101 27 HE3 LYS 3 1HE LYS 3 12.582 17.804 18.760 28 HZ1 LYS 3 3HZ LYS 3 12.187 15.071 19.853 29 HZ2 LYS 3 1HZ LYS 3 11.514 16.488 20.486 30 HZ3 LYS 3 2HZ LYS 3 13.189 16.263 20.512 31 H LYS 4 H LYS 4 11.687 10.846 14.906 32 HA LYS 4 HA LYS 4 13.760 11.537 13.060 33 HB2 LYS 4 2HB LYS 4 14.938 10.838 15.252 34 HB3 LYS 4 1HB LYS 4 14.412 9.210 14.852 35 HG2 LYS 4 2HG LYS 4 16.667 9.517 14.101 36 HG3 LYS 4 1HG LYS 4 15.608 9.391 12.697 37 HD2 LYS 4 2HD LYS 4 17.209 11.164 12.338 38 HD3 LYS 4 1HD LYS 4 15.598 11.859 12.526 39 HE2 LYS 4 2HE LYS 4 16.114 12.372 14.875 40 HE3 LYS 4 1HE LYS 4 17.734 11.713 14.652 41 HZ1 LYS 4 3HZ LYS 4 16.614 14.033 13.173 42 HZ2 LYS 4 1HZ LYS 4 18.183 13.420 13.022 43 HZ3 LYS 4 2HZ LYS 4 17.690 14.133 14.473 44 H ASN 5 H ASN 5 11.123 10.794 12.706 45 HA ASN 5 HA ASN 5 11.332 8.061 11.621 46 HB2 ASN 5 2HB ASN 5 8.847 9.589 12.426 47 HB3 ASN 5 1HB ASN 5 8.877 7.956 11.769 48 HD21 ASN 5 1HD2 ASN 5 7.874 8.945 14.326 49 HD22 ASN 5 2HD2 ASN 5 8.714 8.052 15.543 50 H ILE 6 H ILE 6 12.468 9.939 10.078 51 HA ILE 6 HA ILE 6 10.466 10.657 8.050 52 HB ILE 6 HB ILE 6 13.287 11.688 8.376 53 HG12 ILE 6 2HG1 ILE 6 10.660 13.084 8.934 54 HG13 ILE 6 1HG1 ILE 6 11.692 12.383 10.175 55 HG21 ILE 6 1HG2 ILE 6 12.622 13.361 6.706 56 HG22 ILE 6 2HG2 ILE 6 11.070 12.544 6.521 57 HG23 ILE 6 3HG2 ILE 6 12.561 11.721 6.063 58 HD11 ILE 6 3HD1 ILE 6 12.448 14.625 8.317 59 HD12 ILE 6 1HD1 ILE 6 13.475 13.930 9.570 60 HD13 ILE 6 2HD1 ILE 6 11.999 14.785 10.015 61 H LEU 7 H LEU 7 10.267 8.961 6.698 62 HA LEU 7 HA LEU 7 12.671 7.578 5.761 63 HB2 LEU 7 2HB LEU 7 9.732 6.938 5.558 64 HB3 LEU 7 1HB LEU 7 10.956 6.036 4.685 65 HG LEU 7 HG LEU 7 12.021 5.570 6.960 66 HD11 LEU 7 1HD1 LEU 7 9.320 6.541 7.875 67 HD12 LEU 7 2HD1 LEU 7 10.883 7.262 8.257 68 HD13 LEU 7 3HD1 LEU 7 10.477 5.660 8.873 69 HD21 LEU 7 3HD2 LEU 7 10.505 3.707 7.397 70 HD22 LEU 7 1HD2 LEU 7 10.809 3.892 5.668 71 HD23 LEU 7 2HD2 LEU 7 9.286 4.450 6.361 72 HA PRO 8 HA PRO 8 12.444 9.485 1.785 73 HB2 PRO 8 2HB PRO 8 13.615 7.707 0.198 74 HB3 PRO 8 1HB PRO 8 14.507 8.533 1.480 75 HG2 PRO 8 2HG PRO 8 13.389 5.782 1.422 76 HG3 PRO 8 1HG PRO 8 14.912 6.366 2.101 77 HD2 PRO 8 2HD PRO 8 12.608 5.853 3.548 78 HD3 PRO 8 1HD PRO 8 13.950 6.876 4.096 79 H GLN 9 H GLN 9 12.329 7.918 -0.663 80 HA GLN 9 HA GLN 9 9.513 7.872 -0.989 81 HB2 GLN 9 2HB GLN 9 11.737 7.062 -2.853 82 HB3 GLN 9 1HB GLN 9 10.047 7.159 -3.312 83 HG2 GLN 9 2HG GLN 9 10.076 9.567 -2.718 84 HG3 GLN 9 1HG GLN 9 11.809 9.426 -2.428 85 HE21 GLN 9 1HE2 GLN 9 10.159 7.684 -4.959 86 HE22 GLN 9 2HE2 GLN 9 10.853 8.554 -6.281 87 H GLN 10 H GLN 10 11.377 5.822 0.481 88 HA GLN 10 HA GLN 10 10.480 3.318 -0.611 89 HB2 GLN 10 2HB GLN 10 11.986 3.953 1.929 90 HB3 GLN 10 1HB GLN 10 11.646 2.327 1.352 91 HG2 GLN 10 2HG GLN 10 12.934 2.797 -0.684 92 HG3 GLN 10 1HG GLN 10 13.306 4.403 -0.059 93 HE21 GLN 10 1HE2 GLN 10 13.126 1.572 1.968 94 HE22 GLN 10 2HE2 GLN 10 14.813 1.476 2.325 95 H GLY 11 H GLY 11 9.615 5.433 2.046 96 HA2 GLY 11 2HA GLY 11 7.663 3.501 3.042 97 HA3 GLY 11 1HA GLY 11 8.108 5.013 3.812 98 H GLN 12 H GLN 12 7.691 5.640 0.629 99 HA GLN 12 HA GLN 12 5.346 7.116 1.013 100 HB2 GLN 12 2HB GLN 12 7.279 6.658 -1.096 101 HB3 GLN 12 1HB GLN 12 5.653 6.875 -1.706 102 HG2 GLN 12 2HG GLN 12 5.501 8.990 -0.431 103 HG3 GLN 12 1HG GLN 12 7.181 8.767 0.054 104 HE21 GLN 12 1HE2 GLN 12 7.915 7.628 -2.543 105 HE22 GLN 12 2HE2 GLN 12 7.989 8.959 -3.641 106 HA PRO 13 HA PRO 13 3.130 3.681 -1.463 107 HB2 PRO 13 2HB PRO 13 4.853 1.416 -1.835 108 HB3 PRO 13 1HB PRO 13 4.263 2.537 -3.064 109 HG2 PRO 13 2HG PRO 13 6.902 2.321 -2.302 110 HG3 PRO 13 1HG PRO 13 6.188 3.767 -3.039 111 HD2 PRO 13 2HD PRO 13 6.721 3.185 -0.143 112 HD3 PRO 13 1HD PRO 13 6.972 4.701 -1.042 113 H VAL 14 H VAL 14 5.010 3.141 1.268 114 HA VAL 14 HA VAL 14 3.797 0.679 2.105 115 HB VAL 14 HB VAL 14 6.012 2.113 2.906 116 HG11 VAL 14 1HG1 VAL 14 4.594 3.602 4.241 117 HG12 VAL 14 2HG1 VAL 14 5.718 2.675 5.236 118 HG13 VAL 14 3HG1 VAL 14 4.019 2.209 5.155 119 HG21 VAL 14 3HG2 VAL 14 6.301 0.335 4.572 120 HG22 VAL 14 1HG2 VAL 14 5.749 -0.301 3.023 121 HG23 VAL 14 2HG2 VAL 14 4.613 -0.126 4.361 122 H ILE 15 H ILE 15 3.121 4.041 2.266 123 HA ILE 15 HA ILE 15 1.101 3.812 4.323 124 HB ILE 15 HB ILE 15 1.727 6.142 2.509 125 HG12 ILE 15 2HG1 ILE 15 3.666 5.352 3.875 126 HG13 ILE 15 1HG1 ILE 15 3.152 6.988 4.249 127 HG21 ILE 15 1HG2 ILE 15 0.214 5.989 5.112 128 HG22 ILE 15 2HG2 ILE 15 -0.462 6.319 3.518 129 HG23 ILE 15 3HG2 ILE 15 0.634 7.479 4.268 130 HD11 ILE 15 3HD1 ILE 15 3.715 5.723 6.255 131 HD12 ILE 15 1HD1 ILE 15 2.480 4.530 5.850 132 HD13 ILE 15 2HD1 ILE 15 2.013 6.186 6.242 133 H ARG 16 H ARG 16 1.345 3.773 0.906 134 HA ARG 16 HA ARG 16 -1.467 4.171 0.397 135 HB2 ARG 16 2HB ARG 16 0.348 2.971 -1.636 136 HB3 ARG 16 1HB ARG 16 -0.907 4.182 -1.841 137 HG2 ARG 16 2HG ARG 16 0.568 5.811 -0.679 138 HG3 ARG 16 1HG ARG 16 1.831 4.577 -0.698 139 HD2 ARG 16 2HD ARG 16 0.448 5.677 -3.140 140 HD3 ARG 16 1HD ARG 16 2.024 6.207 -2.555 141 HE ARG 16 HE ARG 16 1.952 3.392 -2.966 142 HH11 ARG 16 1HH1 ARG 16 2.229 6.442 -4.631 143 HH12 ARG 16 2HH1 ARG 16 3.107 5.778 -5.967 144 HH21 ARG 16 1HH2 ARG 16 3.112 2.511 -4.722 145 HH22 ARG 16 2HH2 ARG 16 3.609 3.546 -6.019 146 H LEU 17 H LEU 17 0.857 1.592 0.490 147 HA LEU 17 HA LEU 17 -0.858 -0.514 -0.314 148 HB2 LEU 17 2HB LEU 17 1.678 -0.546 -0.223 149 HB3 LEU 17 1HB LEU 17 1.530 -0.764 1.508 150 HG LEU 17 HG LEU 17 0.302 -2.876 1.126 151 HD11 LEU 17 1HD1 LEU 17 0.317 -3.869 -1.118 152 HD12 LEU 17 2HD1 LEU 17 0.963 -2.364 -1.771 153 HD13 LEU 17 3HD1 LEU 17 -0.648 -2.395 -1.054 154 HD21 LEU 17 3HD2 LEU 17 2.231 -4.180 0.395 155 HD22 LEU 17 1HD2 LEU 17 2.714 -2.892 1.501 156 HD23 LEU 17 2HD2 LEU 17 2.989 -2.717 -0.232 157 H THR 18 H THR 18 -0.075 0.867 2.838 158 HA THR 18 HA THR 18 -1.319 -1.054 4.446 159 HB THR 18 HB THR 18 -0.879 1.900 4.888 160 HG1 THR 18 1HG THR 18 0.918 1.164 6.059 161 HG21 THR 18 3HG2 THR 18 -1.707 -0.238 6.843 162 HG22 THR 18 1HG2 THR 18 -2.657 1.159 6.341 163 HG23 THR 18 2HG2 THR 18 -1.185 1.388 7.285 164 H ALA 19 H ALA 19 -2.562 2.231 3.850 165 HA ALA 19 HA ALA 19 -5.201 1.611 4.553 166 HB1 ALA 19 1HB ALA 19 -4.355 3.902 4.542 167 HB2 ALA 19 2HB ALA 19 -5.801 3.757 3.543 168 HB3 ALA 19 3HB ALA 19 -4.211 3.844 2.785 169 H GLY 20 H GLY 20 -3.413 0.925 1.766 170 HA2 GLY 20 2HA GLY 20 -5.519 0.860 -0.118 171 HA3 GLY 20 1HA GLY 20 -3.954 0.103 -0.308 172 H GLN 21 H GLN 21 -3.926 -1.617 1.790 173 HA GLN 21 HA GLN 21 -5.341 -3.828 0.813 174 HB2 GLN 21 2HB GLN 21 -3.270 -3.913 2.216 175 HB3 GLN 21 1HB GLN 21 -4.248 -3.480 3.609 176 HG2 GLN 21 2HG GLN 21 -3.872 -5.850 3.593 177 HG3 GLN 21 1HG GLN 21 -5.577 -5.523 3.289 178 HE21 GLN 21 1HE2 GLN 21 -5.908 -7.499 2.298 179 HE22 GLN 21 2HE2 GLN 21 -5.292 -7.865 0.727 180 H LEU 22 H LEU 22 -6.005 -1.649 3.516 181 HA LEU 22 HA LEU 22 -8.328 -3.016 4.411 182 HB2 LEU 22 2HB LEU 22 -7.222 -0.262 4.881 183 HB3 LEU 22 1HB LEU 22 -8.777 -0.738 5.529 184 HG LEU 22 HG LEU 22 -7.623 -2.628 6.714 185 HD11 LEU 22 1HD1 LEU 22 -5.631 -2.769 5.325 186 HD12 LEU 22 2HD1 LEU 22 -5.202 -2.474 7.010 187 HD13 LEU 22 3HD1 LEU 22 -5.142 -1.154 5.841 188 HD21 LEU 22 3HD2 LEU 22 -6.709 0.168 7.377 189 HD22 LEU 22 1HD2 LEU 22 -6.710 -1.207 8.481 190 HD23 LEU 22 2HD2 LEU 22 -8.235 -0.571 7.865 191 H SER 23 H SER 23 -7.804 -0.230 2.275 192 HA SER 23 HA SER 23 -10.550 0.269 1.877 193 HB2 SER 23 2HB SER 23 -8.905 2.034 1.536 194 HB3 SER 23 1HB SER 23 -8.200 1.111 0.217 195 HG SER 23 HG SER 23 -9.698 1.830 -1.062 196 H SER 24 H SER 24 -8.807 -2.273 1.012 197 HA SER 24 HA SER 24 -10.063 -2.688 -1.580 198 HB2 SER 24 2HB SER 24 -7.947 -4.252 -0.101 199 HB3 SER 24 1HB SER 24 -8.651 -4.775 -1.629 200 HG SER 24 HG SER 24 -7.410 -3.410 -2.623 201 H GLN 25 H GLN 25 -10.109 -3.792 1.716 202 HA GLN 25 HA GLN 25 -11.677 -6.108 1.351 203 HB2 GLN 25 2HB GLN 25 -11.227 -4.301 3.723 204 HB3 GLN 25 1HB GLN 25 -12.246 -5.732 3.811 205 HG2 GLN 25 2HG GLN 25 -10.358 -7.135 3.202 206 HG3 GLN 25 1HG GLN 25 -9.332 -5.709 3.055 207 HE21 GLN 25 1HE2 GLN 25 -8.688 -4.616 4.915 208 HE22 GLN 25 2HE2 GLN 25 -8.790 -5.335 6.483 209 H LEU 26 H LEU 26 -12.426 -2.717 1.593 210 HA LEU 26 HA LEU 26 -15.238 -3.125 1.941 211 HB2 LEU 26 2HB LEU 26 -13.873 -0.585 1.084 212 HB3 LEU 26 1HB LEU 26 -15.438 -0.751 1.859 213 HG LEU 26 HG LEU 26 -12.880 -1.541 3.219 214 HD11 LEU 26 1HD1 LEU 26 -12.956 0.625 4.363 215 HD12 LEU 26 2HD1 LEU 26 -14.298 1.118 3.332 216 HD13 LEU 26 3HD1 LEU 26 -12.711 0.814 2.627 217 HD21 LEU 26 3HD2 LEU 26 -14.223 -1.305 5.244 218 HD22 LEU 26 1HD2 LEU 26 -14.943 -2.475 4.137 219 HD23 LEU 26 2HD2 LEU 26 -15.622 -0.853 4.270 220 H ALA 27 H ALA 27 -13.037 -2.338 -0.674 221 HA ALA 27 HA ALA 27 -14.842 -1.715 -2.673 222 HB1 ALA 27 1HB ALA 27 -13.104 -2.364 -4.257 223 HB2 ALA 27 2HB ALA 27 -12.233 -3.197 -2.970 224 HB3 ALA 27 3HB ALA 27 -12.425 -1.445 -2.914 225 H GLU 28 H GLU 28 -13.736 -4.861 -1.538 226 HA GLU 28 HA GLU 28 -15.119 -6.335 -3.483 227 HB2 GLU 28 2HB GLU 28 -14.188 -8.208 -2.580 228 HB3 GLU 28 1HB GLU 28 -13.043 -6.975 -2.060 229 HG2 GLU 28 2HG GLU 28 -14.024 -6.868 0.081 230 HG3 GLU 28 1HG GLU 28 -15.353 -7.893 -0.433 231 H LEU 29 H LEU 29 -15.915 -5.079 -0.366 232 HA LEU 29 HA LEU 29 -18.644 -6.043 -0.701 233 HB2 LEU 29 2HB LEU 29 -16.852 -7.289 1.061 234 HB3 LEU 29 1HB LEU 29 -17.869 -6.284 2.072 235 HG LEU 29 HG LEU 29 -18.765 -8.538 1.928 236 HD11 LEU 29 1HD1 LEU 29 -20.343 -6.700 2.162 237 HD12 LEU 29 2HD1 LEU 29 -21.037 -8.006 1.200 238 HD13 LEU 29 3HD1 LEU 29 -20.441 -6.546 0.408 239 HD21 LEU 29 3HD2 LEU 29 -17.848 -9.175 -0.230 240 HD22 LEU 29 1HD2 LEU 29 -18.920 -8.033 -1.040 241 HD23 LEU 29 2HD2 LEU 29 -19.593 -9.429 -0.199 242 H SER 30 H SER 30 -18.948 -3.798 -1.189 243 HA SER 30 HA SER 30 -18.313 -1.637 0.338 244 HB2 SER 30 2HB SER 30 -19.364 -1.417 -1.847 245 HB3 SER 30 1HB SER 30 -20.863 -2.100 -1.218 246 HG SER 30 HG SER 30 -21.165 0.054 -1.123 247 H GLU 31 H GLU 31 -21.335 -3.511 0.571 248 HA GLU 31 HA GLU 31 -22.476 -2.177 2.705 249 HB2 GLU 31 2HB GLU 31 -22.661 -5.133 2.092 250 HB3 GLU 31 1HB GLU 31 -23.780 -4.214 3.091 251 HG2 GLU 31 2HG GLU 31 -24.515 -2.942 1.229 252 HG3 GLU 31 1HG GLU 31 -23.278 -3.643 0.189 253 H GLU 32 H GLU 32 -22.180 -2.142 4.856 254 HA GLU 32 HA GLU 32 -20.487 -4.164 6.114 255 HB2 GLU 32 2HB GLU 32 -19.145 -2.455 7.261 256 HB3 GLU 32 1HB GLU 32 -18.950 -2.365 5.515 257 HG2 GLU 32 2HG GLU 32 -20.470 -0.473 5.423 258 HG3 GLU 32 1HG GLU 32 -20.724 -0.578 7.165 259 H ALA 33 H ALA 33 -23.181 -2.177 6.136 260 HA ALA 33 HA ALA 33 -23.473 -2.107 9.030 261 HB1 ALA 33 1HB ALA 33 -25.342 -1.131 6.874 262 HB2 ALA 33 2HB ALA 33 -24.138 -0.153 7.713 263 HB3 ALA 33 3HB ALA 33 -25.500 -0.831 8.605 264 H LEU 34 H LEU 34 -25.317 -2.995 10.110 265 HA LEU 34 HA LEU 34 -26.900 -4.987 8.716 266 HB2 LEU 34 2HB LEU 34 -24.889 -6.235 9.317 267 HB3 LEU 34 1HB LEU 34 -25.052 -5.725 10.987 268 HG LEU 34 HG LEU 34 -27.189 -6.982 11.127 269 HD11 LEU 34 1HD1 LEU 34 -26.418 -7.960 8.382 270 HD12 LEU 34 2HD1 LEU 34 -27.802 -6.940 8.773 271 HD13 LEU 34 3HD1 LEU 34 -27.730 -8.597 9.374 272 HD21 LEU 34 3HD2 LEU 34 -24.796 -8.598 10.256 273 HD22 LEU 34 1HD2 LEU 34 -26.169 -9.201 11.187 274 HD23 LEU 34 2HD2 LEU 34 -25.098 -7.985 11.882 Start of MODEL 14 1 H1 MET 1 1HT MET 1 -7.812 15.304 -1.084 2 H2 MET 1 2HT MET 1 -8.404 15.502 0.489 3 H3 MET 1 3HT MET 1 -7.370 14.212 0.130 4 HA MET 1 HA MET 1 -5.559 15.701 -0.310 5 HB2 MET 1 2HB MET 1 -7.543 17.859 0.440 6 HB3 MET 1 1HB MET 1 -5.827 18.113 0.151 7 HG2 MET 1 2HG MET 1 -6.130 17.331 -2.163 8 HG3 MET 1 1HG MET 1 -7.858 17.169 -1.857 9 HE1 MET 1 2HE MET 1 -8.334 18.710 -3.984 10 HE2 MET 1 3HE MET 1 -6.601 18.891 -4.260 11 HE3 MET 1 1HE MET 1 -7.638 20.317 -4.199 12 H ASN 2 H ASN 2 -4.127 16.231 1.355 13 HA ASN 2 HA ASN 2 -4.954 16.667 4.038 14 HB2 ASN 2 2HB ASN 2 -4.139 14.542 5.000 15 HB3 ASN 2 1HB ASN 2 -5.526 14.297 3.941 16 HD21 ASN 2 1HD2 ASN 2 -5.245 13.262 1.974 17 HD22 ASN 2 2HD2 ASN 2 -3.822 12.355 1.605 18 H LYS 3 H LYS 3 -3.004 16.377 5.569 19 HA LYS 3 HA LYS 3 -0.596 17.293 4.139 20 HB2 LYS 3 2HB LYS 3 -1.440 17.884 6.984 21 HB3 LYS 3 1HB LYS 3 -0.010 18.516 6.178 22 HG2 LYS 3 2HG LYS 3 -1.400 19.741 4.613 23 HG3 LYS 3 1HG LYS 3 -2.854 19.062 5.348 24 HD2 LYS 3 2HD LYS 3 -2.248 20.141 7.481 25 HD3 LYS 3 1HD LYS 3 -0.840 20.861 6.696 26 HE2 LYS 3 2HE LYS 3 -2.685 22.453 6.826 27 HE3 LYS 3 1HE LYS 3 -2.304 22.055 5.151 28 HZ1 LYS 3 3HZ LYS 3 -4.173 20.538 5.111 29 HZ2 LYS 3 1HZ LYS 3 -4.691 22.087 5.555 30 HZ3 LYS 3 2HZ LYS 3 -4.529 20.881 6.729 31 H LYS 4 H LYS 4 -0.624 14.703 4.081 32 HA LYS 4 HA LYS 4 1.109 13.843 6.302 33 HB2 LYS 4 2HB LYS 4 -1.091 12.758 6.459 34 HB3 LYS 4 1HB LYS 4 -0.915 12.155 4.818 35 HG2 LYS 4 2HG LYS 4 -0.445 10.411 6.430 36 HG3 LYS 4 1HG LYS 4 1.006 10.813 5.511 37 HD2 LYS 4 2HD LYS 4 1.544 10.529 7.864 38 HD3 LYS 4 1HD LYS 4 1.785 12.208 7.381 39 HE2 LYS 4 2HE LYS 4 0.684 12.058 9.557 40 HE3 LYS 4 1HE LYS 4 -0.366 12.809 8.358 41 HZ1 LYS 4 3HZ LYS 4 -1.572 11.212 9.701 42 HZ2 LYS 4 1HZ LYS 4 -0.504 9.979 9.249 43 HZ3 LYS 4 2HZ LYS 4 -1.509 10.694 8.092 44 H ASN 5 H ASN 5 3.063 13.168 5.714 45 HA ASN 5 HA ASN 5 3.561 11.721 3.305 46 HB2 ASN 5 2HB ASN 5 3.411 13.954 2.325 47 HB3 ASN 5 1HB ASN 5 4.593 14.560 3.481 48 HD21 ASN 5 1HD2 ASN 5 5.998 15.211 1.868 49 HD22 ASN 5 2HD2 ASN 5 6.916 14.089 0.931 50 H ILE 6 H ILE 6 4.574 10.223 4.586 51 HA ILE 6 HA ILE 6 6.870 11.101 6.186 52 HB ILE 6 HB ILE 6 5.446 8.436 6.138 53 HG12 ILE 6 2HG1 ILE 6 5.476 10.563 8.290 54 HG13 ILE 6 1HG1 ILE 6 4.175 10.367 7.120 55 HG21 ILE 6 1HG2 ILE 6 7.776 8.140 6.692 56 HG22 ILE 6 2HG2 ILE 6 6.797 7.938 8.145 57 HG23 ILE 6 3HG2 ILE 6 7.691 9.435 7.885 58 HD11 ILE 6 3HD1 ILE 6 3.720 8.140 7.985 59 HD12 ILE 6 1HD1 ILE 6 3.629 9.351 9.265 60 HD13 ILE 6 2HD1 ILE 6 5.046 8.308 9.135 61 H LEU 7 H LEU 7 8.850 10.866 5.412 62 HA LEU 7 HA LEU 7 10.641 10.176 4.208 63 HB2 LEU 7 2HB LEU 7 9.033 7.729 4.544 64 HB3 LEU 7 1HB LEU 7 10.212 7.679 3.249 65 HG LEU 7 HG LEU 7 11.145 8.617 5.910 66 HD11 LEU 7 1HD1 LEU 7 11.487 6.321 6.673 67 HD12 LEU 7 2HD1 LEU 7 10.613 5.720 5.263 68 HD13 LEU 7 3HD1 LEU 7 9.770 6.681 6.479 69 HD21 LEU 7 3HD2 LEU 7 12.726 8.605 4.121 70 HD22 LEU 7 1HD2 LEU 7 12.300 6.951 3.685 71 HD23 LEU 7 2HD2 LEU 7 13.130 7.276 5.207 72 HA PRO 8 HA PRO 8 10.010 11.146 -0.055 73 HB2 PRO 8 2HB PRO 8 12.110 9.103 -0.568 74 HB3 PRO 8 1HB PRO 8 12.022 10.779 -1.120 75 HG2 PRO 8 2HG PRO 8 13.660 10.144 0.823 76 HG3 PRO 8 1HG PRO 8 12.668 11.607 0.972 77 HD2 PRO 8 2HD PRO 8 12.262 8.912 2.226 78 HD3 PRO 8 1HD PRO 8 12.095 10.525 2.934 79 H GLN 9 H GLN 9 10.714 9.246 -2.146 80 HA GLN 9 HA GLN 9 8.223 7.955 -2.430 81 HB2 GLN 9 2HB GLN 9 10.775 7.770 -4.014 82 HB3 GLN 9 1HB GLN 9 9.291 6.959 -4.481 83 HG2 GLN 9 2HG GLN 9 8.158 9.114 -4.653 84 HG3 GLN 9 1HG GLN 9 9.646 9.929 -4.179 85 HE21 GLN 9 1HE2 GLN 9 11.329 8.097 -5.702 86 HE22 GLN 9 2HE2 GLN 9 11.134 8.536 -7.361 87 H GLN 10 H GLN 10 10.578 7.199 -0.488 88 HA GLN 10 HA GLN 10 10.798 4.363 -0.918 89 HB2 GLN 10 2HB GLN 10 11.691 6.004 1.458 90 HB3 GLN 10 1HB GLN 10 12.177 4.356 1.086 91 HG2 GLN 10 2HG GLN 10 13.284 5.133 -0.944 92 HG3 GLN 10 1HG GLN 10 12.793 6.786 -0.578 93 HE21 GLN 10 1HE2 GLN 10 13.788 7.886 1.110 94 HE22 GLN 10 2HE2 GLN 10 15.275 7.351 1.807 95 H GLY 11 H GLY 11 9.393 6.445 1.608 96 HA2 GLY 11 2HA GLY 11 7.932 4.144 2.673 97 HA3 GLY 11 1HA GLY 11 8.095 5.713 3.441 98 H GLN 12 H GLN 12 7.403 6.187 0.261 99 HA GLN 12 HA GLN 12 4.878 7.256 0.728 100 HB2 GLN 12 2HB GLN 12 6.706 6.957 -1.490 101 HB3 GLN 12 1HB GLN 12 5.033 6.836 -1.989 102 HG2 GLN 12 2HG GLN 12 6.266 9.104 -0.454 103 HG3 GLN 12 1HG GLN 12 5.843 9.118 -2.165 104 HE21 GLN 12 1HE2 GLN 12 4.926 10.846 -0.008 105 HE22 GLN 12 2HE2 GLN 12 3.205 10.700 0.029 106 HA PRO 13 HA PRO 13 3.110 3.334 -1.412 107 HB2 PRO 13 2HB PRO 13 5.191 1.305 -1.345 108 HB3 PRO 13 1HB PRO 13 4.350 1.977 -2.743 109 HG2 PRO 13 2HG PRO 13 6.980 2.446 -2.245 110 HG3 PRO 13 1HG PRO 13 5.934 3.617 -3.073 111 HD2 PRO 13 2HD PRO 13 6.778 3.543 -0.191 112 HD3 PRO 13 1HD PRO 13 6.709 4.938 -1.294 113 H VAL 14 H VAL 14 4.970 3.401 1.406 114 HA VAL 14 HA VAL 14 3.994 0.970 2.575 115 HB VAL 14 HB VAL 14 5.160 3.393 3.967 116 HG11 VAL 14 1HG1 VAL 14 5.689 1.818 5.767 117 HG12 VAL 14 2HG1 VAL 14 4.880 0.530 4.875 118 HG13 VAL 14 3HG1 VAL 14 3.953 1.906 5.471 119 HG21 VAL 14 3HG2 VAL 14 7.289 2.179 3.920 120 HG22 VAL 14 1HG2 VAL 14 6.706 2.537 2.294 121 HG23 VAL 14 2HG2 VAL 14 6.539 0.910 2.953 122 H ILE 15 H ILE 15 2.880 4.200 2.183 123 HA ILE 15 HA ILE 15 0.808 3.940 4.207 124 HB ILE 15 HB ILE 15 1.315 6.223 2.307 125 HG12 ILE 15 2HG1 ILE 15 3.275 5.643 3.768 126 HG13 ILE 15 1HG1 ILE 15 2.639 7.262 4.005 127 HG21 ILE 15 1HG2 ILE 15 -0.249 6.054 4.878 128 HG22 ILE 15 2HG2 ILE 15 -0.904 6.263 3.254 129 HG23 ILE 15 3HG2 ILE 15 0.071 7.539 3.982 130 HD11 ILE 15 3HD1 ILE 15 1.502 6.537 6.024 131 HD12 ILE 15 1HD1 ILE 15 3.225 6.176 6.113 132 HD13 ILE 15 2HD1 ILE 15 2.070 4.889 5.766 133 H ARG 16 H ARG 16 1.287 3.686 0.824 134 HA ARG 16 HA ARG 16 -1.510 3.838 0.144 135 HB2 ARG 16 2HB ARG 16 -0.741 4.278 -1.887 136 HB3 ARG 16 1HB ARG 16 0.892 4.134 -1.253 137 HG2 ARG 16 2HG ARG 16 0.971 1.828 -1.826 138 HG3 ARG 16 1HG ARG 16 -0.723 1.834 -2.309 139 HD2 ARG 16 2HD ARG 16 0.596 1.967 -4.297 140 HD3 ARG 16 1HD ARG 16 -0.165 3.536 -4.019 141 HE ARG 16 HE ARG 16 2.566 3.168 -3.061 142 HH11 ARG 16 1HH1 ARG 16 0.390 4.521 -5.423 143 HH12 ARG 16 2HH1 ARG 16 1.548 5.658 -6.027 144 HH21 ARG 16 1HH2 ARG 16 4.096 4.663 -3.852 145 HH22 ARG 16 2HH2 ARG 16 3.653 5.739 -5.134 146 H LEU 17 H LEU 17 0.891 1.460 0.816 147 HA LEU 17 HA LEU 17 -0.647 -0.799 -0.071 148 HB2 LEU 17 2HB LEU 17 1.874 -0.691 0.125 149 HB3 LEU 17 1HB LEU 17 1.669 -0.779 1.860 150 HG LEU 17 HG LEU 17 0.553 -2.982 1.586 151 HD11 LEU 17 1HD1 LEU 17 0.783 -4.149 -0.560 152 HD12 LEU 17 2HD1 LEU 17 1.401 -2.667 -1.290 153 HD13 LEU 17 3HD1 LEU 17 -0.254 -2.729 -0.690 154 HD21 LEU 17 3HD2 LEU 17 3.313 -2.806 0.383 155 HD22 LEU 17 1HD2 LEU 17 2.590 -4.223 1.146 156 HD23 LEU 17 2HD2 LEU 17 2.946 -2.788 2.107 157 H THR 18 H THR 18 0.105 0.684 3.052 158 HA THR 18 HA THR 18 -1.198 -1.117 4.716 159 HB THR 18 HB THR 18 -0.818 1.864 5.005 160 HG1 THR 18 1HG THR 18 0.731 -0.403 5.556 161 HG21 THR 18 3HG2 THR 18 -1.166 1.495 7.408 162 HG22 THR 18 1HG2 THR 18 -1.593 -0.183 7.076 163 HG23 THR 18 2HG2 THR 18 -2.607 1.123 6.464 164 H ALA 19 H ALA 19 -2.462 2.107 3.881 165 HA ALA 19 HA ALA 19 -5.111 1.504 4.577 166 HB1 ALA 19 1HB ALA 19 -4.105 3.641 2.702 167 HB2 ALA 19 2HB ALA 19 -4.270 3.797 4.451 168 HB3 ALA 19 3HB ALA 19 -5.703 3.587 3.445 169 H GLY 20 H GLY 20 -3.255 0.638 1.900 170 HA2 GLY 20 2HA GLY 20 -5.295 0.460 -0.049 171 HA3 GLY 20 1HA GLY 20 -3.731 -0.317 -0.133 172 H GLN 21 H GLN 21 -3.753 -1.916 2.027 173 HA GLN 21 HA GLN 21 -5.153 -4.174 1.179 174 HB2 GLN 21 2HB GLN 21 -3.162 -4.181 2.679 175 HB3 GLN 21 1HB GLN 21 -4.185 -3.603 3.986 176 HG2 GLN 21 2HG GLN 21 -5.510 -5.633 3.875 177 HG3 GLN 21 1HG GLN 21 -4.536 -6.210 2.523 178 HE21 GLN 21 1HE2 GLN 21 -4.988 -7.397 5.152 179 HE22 GLN 21 2HE2 GLN 21 -3.426 -7.593 5.863 180 H LEU 22 H LEU 22 -5.938 -1.793 3.666 181 HA LEU 22 HA LEU 22 -8.314 -3.051 4.563 182 HB2 LEU 22 2HB LEU 22 -7.412 -0.174 4.721 183 HB3 LEU 22 1HB LEU 22 -8.799 -0.825 5.564 184 HG LEU 22 HG LEU 22 -5.980 -1.807 5.989 185 HD11 LEU 22 1HD1 LEU 22 -6.013 -0.510 8.058 186 HD12 LEU 22 2HD1 LEU 22 -7.585 0.158 7.618 187 HD13 LEU 22 3HD1 LEU 22 -6.164 0.534 6.644 188 HD21 LEU 22 3HD2 LEU 22 -7.736 -3.415 6.556 189 HD22 LEU 22 1HD2 LEU 22 -8.514 -2.206 7.578 190 HD23 LEU 22 2HD2 LEU 22 -6.916 -2.820 8.000 191 H SER 23 H SER 23 -7.679 -0.441 2.242 192 HA SER 23 HA SER 23 -10.374 0.044 1.633 193 HB2 SER 23 2HB SER 23 -8.603 1.689 1.192 194 HB3 SER 23 1HB SER 23 -7.961 0.621 -0.048 195 HG SER 23 HG SER 23 -10.043 0.819 -1.094 196 H SER 24 H SER 24 -8.655 -2.617 1.094 197 HA SER 24 HA SER 24 -9.792 -3.261 -1.501 198 HB2 SER 24 2HB SER 24 -7.877 -4.783 0.270 199 HB3 SER 24 1HB SER 24 -8.459 -5.365 -1.288 200 HG SER 24 HG SER 24 -7.567 -3.358 -2.158 201 H GLN 25 H GLN 25 -10.074 -4.060 1.877 202 HA GLN 25 HA GLN 25 -11.769 -6.311 1.571 203 HB2 GLN 25 2HB GLN 25 -11.174 -4.460 3.872 204 HB3 GLN 25 1HB GLN 25 -12.349 -5.763 4.014 205 HG2 GLN 25 2HG GLN 25 -9.437 -6.082 3.318 206 HG3 GLN 25 1HG GLN 25 -10.170 -6.405 4.890 207 HE21 GLN 25 1HE2 GLN 25 -11.478 -8.215 5.149 208 HE22 GLN 25 2HE2 GLN 25 -11.477 -9.519 4.017 209 H LEU 26 H LEU 26 -12.273 -2.897 1.510 210 HA LEU 26 HA LEU 26 -15.129 -3.126 1.850 211 HB2 LEU 26 2HB LEU 26 -13.606 -0.646 1.118 212 HB3 LEU 26 1HB LEU 26 -15.190 -0.757 1.862 213 HG LEU 26 HG LEU 26 -12.684 -1.699 3.223 214 HD11 LEU 26 1HD1 LEU 26 -14.036 0.988 3.440 215 HD12 LEU 26 2HD1 LEU 26 -12.447 0.676 2.743 216 HD13 LEU 26 3HD1 LEU 26 -12.722 0.416 4.466 217 HD21 LEU 26 3HD2 LEU 26 -15.432 -1.008 4.254 218 HD22 LEU 26 1HD2 LEU 26 -14.056 -1.496 5.243 219 HD23 LEU 26 2HD2 LEU 26 -14.758 -2.629 4.088 220 H ALA 27 H ALA 27 -12.761 -2.612 -0.652 221 HA ALA 27 HA ALA 27 -14.256 -1.642 -2.730 222 HB1 ALA 27 1HB ALA 27 -12.136 -3.779 -2.917 223 HB2 ALA 27 2HB ALA 27 -11.845 -2.041 -2.858 224 HB3 ALA 27 3HB ALA 27 -12.690 -2.747 -4.235 225 H GLU 28 H GLU 28 -14.007 -4.998 -1.640 226 HA GLU 28 HA GLU 28 -15.618 -6.093 -3.615 227 HB2 GLU 28 2HB GLU 28 -15.582 -8.108 -2.387 228 HB3 GLU 28 1HB GLU 28 -13.999 -7.349 -2.218 229 HG2 GLU 28 2HG GLU 28 -14.493 -6.585 -0.070 230 HG3 GLU 28 1HG GLU 28 -16.194 -6.968 -0.268 231 H LEU 29 H LEU 29 -16.362 -4.647 -0.538 232 HA LEU 29 HA LEU 29 -19.198 -4.772 -1.223 233 HB2 LEU 29 2HB LEU 29 -17.934 -5.995 1.166 234 HB3 LEU 29 1HB LEU 29 -19.470 -5.178 1.393 235 HG LEU 29 HG LEU 29 -20.134 -6.684 -0.706 236 HD11 LEU 29 1HD1 LEU 29 -19.144 -8.918 -0.462 237 HD12 LEU 29 2HD1 LEU 29 -17.992 -8.265 0.702 238 HD13 LEU 29 3HD1 LEU 29 -17.966 -7.712 -0.972 239 HD21 LEU 29 3HD2 LEU 29 -20.047 -7.648 2.147 240 HD22 LEU 29 1HD2 LEU 29 -21.098 -8.269 0.874 241 HD23 LEU 29 2HD2 LEU 29 -21.282 -6.608 1.437 242 H SER 30 H SER 30 -18.503 -2.520 -1.728 243 HA SER 30 HA SER 30 -17.633 -0.662 0.080 244 HB2 SER 30 2HB SER 30 -17.865 -0.170 -2.298 245 HB3 SER 30 1HB SER 30 -19.622 -0.262 -2.163 246 HG SER 30 HG SER 30 -19.650 1.693 -1.391 247 H GLU 31 H GLU 31 -18.431 -0.556 2.106 248 HA GLU 31 HA GLU 31 -21.247 -0.781 2.656 249 HB2 GLU 31 2HB GLU 31 -18.913 -0.059 4.438 250 HB3 GLU 31 1HB GLU 31 -20.555 -0.311 5.006 251 HG2 GLU 31 2HG GLU 31 -18.768 -2.351 3.723 252 HG3 GLU 31 1HG GLU 31 -19.252 -2.265 5.415 253 H GLU 32 H GLU 32 -18.825 1.812 2.848 254 HA GLU 32 HA GLU 32 -21.037 3.759 2.810 255 HB2 GLU 32 2HB GLU 32 -19.625 5.281 4.117 256 HB3 GLU 32 1HB GLU 32 -19.922 3.780 4.983 257 HG2 GLU 32 2HG GLU 32 -17.712 2.970 4.360 258 HG3 GLU 32 1HG GLU 32 -17.415 4.458 3.462 259 H ALA 33 H ALA 33 -20.570 5.792 1.755 260 HA ALA 33 HA ALA 33 -18.215 6.090 0.153 261 HB1 ALA 33 1HB ALA 33 -19.286 5.961 -2.033 262 HB2 ALA 33 2HB ALA 33 -20.805 5.485 -1.272 263 HB3 ALA 33 3HB ALA 33 -19.402 4.419 -1.185 264 H LEU 34 H LEU 34 -17.914 8.174 -0.443 265 HA LEU 34 HA LEU 34 -18.189 10.430 -0.475 266 HB2 LEU 34 2HB LEU 34 -21.064 9.742 -1.090 267 HB3 LEU 34 1HB LEU 34 -20.281 11.283 -1.390 268 HG LEU 34 HG LEU 34 -19.534 8.679 -2.726 269 HD11 LEU 34 1HD1 LEU 34 -20.562 9.639 -4.723 270 HD12 LEU 34 2HD1 LEU 34 -21.083 11.039 -3.784 271 HD13 LEU 34 3HD1 LEU 34 -21.739 9.441 -3.424 272 HD21 LEU 34 3HD2 LEU 34 -18.628 11.509 -3.245 273 HD22 LEU 34 1HD2 LEU 34 -18.192 10.093 -4.201 274 HD23 LEU 34 2HD2 LEU 34 -17.658 10.224 -2.526
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