NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
605968 | 5jxv | 30088 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 1.808 -0.000 0.855 2 HA MET 1 HA MET 1 2.874 0.738 -1.151 3 HB2 MET 1 HB2 MET 1 3.142 -1.401 -2.471 4 HB3 MET 1 HB3 MET 1 3.527 -1.511 -0.759 5 HG2 MET 1 HG2 MET 1 1.230 -2.425 -0.389 6 HG3 MET 1 HG3 MET 1 1.043 -2.484 -2.140 7 HE1 MET 1 HE1 MET 1 2.796 -3.734 -3.695 8 HE2 MET 1 HE2 MET 1 4.258 -3.295 -2.811 9 HE3 MET 1 HE3 MET 1 3.900 -4.991 -3.138 10 H GLN 2 H GLN 2 -0.304 -0.704 -1.668 11 HA GLN 2 HA GLN 2 -0.444 0.668 -4.270 12 HB2 GLN 2 HB2 GLN 2 -2.210 -0.938 -4.861 13 HB3 GLN 2 HB3 GLN 2 -0.699 -1.745 -4.463 14 HG2 GLN 2 HG2 GLN 2 -2.287 -3.041 -3.399 15 HG3 GLN 2 HG3 GLN 2 -1.695 -1.995 -2.109 16 HE21 GLN 2 HE21 GLN 2 -4.052 -1.563 -4.725 17 HE22 GLN 2 HE22 GLN 2 -5.353 -1.068 -3.703 18 H TYR 3 H TYR 3 -2.280 1.873 -4.793 19 HA TYR 3 HA TYR 3 -3.908 2.668 -2.471 20 HB2 TYR 3 HB2 TYR 3 -3.376 4.304 -4.954 21 HB3 TYR 3 HB3 TYR 3 -4.129 4.848 -3.460 22 HD1 TYR 3 HD1 TYR 3 -1.473 5.644 -5.145 23 HD2 TYR 3 HD2 TYR 3 -2.282 3.692 -1.452 24 HE1 TYR 3 HE1 TYR 3 0.727 6.346 -4.299 25 HE2 TYR 3 HE2 TYR 3 -0.084 4.390 -0.595 26 HH TYR 3 HH TYR 3 1.877 5.329 -1.106 27 H LYS 4 H LYS 4 -6.134 3.188 -2.833 28 HA LYS 4 HA LYS 4 -7.279 1.791 -5.162 29 HB2 LYS 4 HB2 LYS 4 -7.761 0.620 -3.077 30 HB3 LYS 4 HB3 LYS 4 -8.415 2.095 -2.376 31 HG2 LYS 4 HG2 LYS 4 -9.701 1.381 -4.882 32 HG3 LYS 4 HG3 LYS 4 -9.848 0.127 -3.649 33 HD2 LYS 4 HD2 LYS 4 -10.408 2.996 -2.990 34 HD3 LYS 4 HD3 LYS 4 -11.638 1.992 -3.761 35 HE2 LYS 4 HE2 LYS 4 -10.821 0.355 -1.765 36 HE3 LYS 4 HE3 LYS 4 -10.586 1.932 -1.012 37 HZ1 LYS 4 HZ1 LYS 4 -12.785 2.311 -0.918 38 HZ2 LYS 4 HZ2 LYS 4 -12.904 0.626 -1.012 39 HZ3 LYS 4 HZ3 LYS 4 -13.106 1.567 -2.403 40 H LEU 5 H LEU 5 -8.721 2.848 -6.412 41 HA LEU 5 HA LEU 5 -9.283 5.642 -5.716 42 HB2 LEU 5 HB2 LEU 5 -8.140 4.983 -7.891 43 HB3 LEU 5 HB3 LEU 5 -9.702 4.339 -8.392 44 HG LEU 5 HG LEU 5 -9.476 7.190 -7.517 45 HD11 LEU 5 HD11 LEU 5 -9.012 7.848 -9.818 46 HD12 LEU 5 HD12 LEU 5 -8.840 6.153 -10.276 47 HD13 LEU 5 HD13 LEU 5 -7.693 6.884 -9.154 48 HD21 LEU 5 HD21 LEU 5 -11.688 6.682 -7.850 49 HD22 LEU 5 HD22 LEU 5 -11.342 5.506 -9.118 50 HD23 LEU 5 HD23 LEU 5 -11.234 7.233 -9.463 51 H ILE 6 H ILE 6 -11.301 6.360 -5.367 52 HA ILE 6 HA ILE 6 -13.490 4.411 -5.630 53 HB ILE 6 HB ILE 6 -13.325 6.851 -3.856 54 HG12 ILE 6 HG12 ILE 6 -13.649 4.361 -2.465 55 HG13 ILE 6 HG13 ILE 6 -12.255 4.248 -3.535 56 HG21 ILE 6 HG21 ILE 6 -15.600 6.501 -4.458 57 HG22 ILE 6 HG22 ILE 6 -15.464 4.762 -4.203 58 HG23 ILE 6 HG23 ILE 6 -15.388 5.863 -2.828 59 HD11 ILE 6 HD11 ILE 6 -11.031 5.588 -2.249 60 HD12 ILE 6 HD12 ILE 6 -12.353 6.736 -2.028 61 HD13 ILE 6 HD13 ILE 6 -12.256 5.296 -1.014 62 H LEU 7 H LEU 7 -14.877 4.738 -7.227 63 HA LEU 7 HA LEU 7 -15.068 7.397 -8.437 64 HB2 LEU 7 HB2 LEU 7 -16.226 4.811 -9.452 65 HB3 LEU 7 HB3 LEU 7 -16.034 6.320 -10.341 66 HG LEU 7 HG LEU 7 -13.590 4.983 -9.293 67 HD11 LEU 7 HD11 LEU 7 -15.451 3.795 -11.215 68 HD12 LEU 7 HD12 LEU 7 -14.138 3.059 -10.298 69 HD13 LEU 7 HD13 LEU 7 -13.790 3.927 -11.793 70 HD21 LEU 7 HD21 LEU 7 -12.924 5.794 -11.694 71 HD22 LEU 7 HD22 LEU 7 -13.042 6.940 -10.359 72 HD23 LEU 7 HD23 LEU 7 -14.360 6.804 -11.524 73 H ASN 8 H ASN 8 -16.745 8.672 -8.038 74 HA ASN 8 HA ASN 8 -19.270 7.444 -7.150 75 HB2 ASN 8 HB2 ASN 8 -17.781 8.730 -5.400 76 HB3 ASN 8 HB3 ASN 8 -18.469 10.157 -6.169 77 HD21 ASN 8 HD21 ASN 8 -20.955 9.833 -6.550 78 HD22 ASN 8 HD22 ASN 8 -21.825 9.330 -5.145 79 H GLY 9 H GLY 9 -19.548 7.644 -9.582 80 HA2 GLY 9 HA2 GLY 9 -20.004 10.308 -10.605 81 HA3 GLY 9 HA3 GLY 9 -20.272 8.798 -11.463 82 H LYS 10 H LYS 10 -22.086 10.778 -11.767 83 HA LYS 10 HA LYS 10 -24.253 10.508 -9.889 84 HB2 LYS 10 HB2 LYS 10 -24.319 11.777 -12.628 85 HB3 LYS 10 HB3 LYS 10 -25.444 12.048 -11.304 86 HG2 LYS 10 HG2 LYS 10 -22.522 12.737 -11.151 87 HG3 LYS 10 HG3 LYS 10 -23.765 13.868 -11.692 88 HD2 LYS 10 HD2 LYS 10 -23.849 14.431 -9.512 89 HD3 LYS 10 HD3 LYS 10 -24.858 12.989 -9.376 90 HE2 LYS 10 HE2 LYS 10 -22.261 12.027 -9.219 91 HE3 LYS 10 HE3 LYS 10 -22.222 13.525 -8.290 92 HZ1 LYS 10 HZ1 LYS 10 -22.857 11.379 -7.090 93 HZ2 LYS 10 HZ2 LYS 10 -24.353 11.526 -7.865 94 HZ3 LYS 10 HZ3 LYS 10 -23.819 12.744 -6.819 95 H THR 11 H THR 11 -23.540 9.385 -13.167 96 HA THR 11 HA THR 11 -25.864 7.580 -12.973 97 HB THR 11 HB THR 11 -26.127 9.204 -14.791 98 HG1 THR 11 HG1 THR 11 -26.631 7.677 -16.342 99 HG21 THR 11 HG21 THR 11 -23.917 8.010 -16.365 100 HG22 THR 11 HG22 THR 11 -23.472 9.156 -15.101 101 HG23 THR 11 HG23 THR 11 -24.569 9.647 -16.391 102 H LEU 12 H LEU 12 -22.599 7.648 -12.737 103 HA LEU 12 HA LEU 12 -22.392 4.827 -13.510 104 HB2 LEU 12 HB2 LEU 12 -20.108 6.687 -14.020 105 HB3 LEU 12 HB3 LEU 12 -20.419 5.093 -14.704 106 HG LEU 12 HG LEU 12 -22.525 6.569 -15.661 107 HD11 LEU 12 HD11 LEU 12 -20.098 8.318 -15.941 108 HD12 LEU 12 HD12 LEU 12 -21.334 8.594 -14.713 109 HD13 LEU 12 HD13 LEU 12 -21.760 8.660 -16.423 110 HD21 LEU 12 HD21 LEU 12 -19.959 6.446 -17.184 111 HD22 LEU 12 HD22 LEU 12 -21.608 6.143 -17.731 112 HD23 LEU 12 HD23 LEU 12 -20.778 4.952 -16.729 113 H LYS 13 H LYS 13 -21.195 3.578 -12.152 114 HA LYS 13 HA LYS 13 -19.587 4.874 -10.081 115 HB2 LYS 13 HB2 LYS 13 -21.842 2.938 -9.539 116 HB3 LYS 13 HB3 LYS 13 -20.633 3.399 -8.348 117 HG2 LYS 13 HG2 LYS 13 -22.447 5.362 -9.730 118 HG3 LYS 13 HG3 LYS 13 -22.808 4.612 -8.173 119 HD2 LYS 13 HD2 LYS 13 -20.140 5.723 -8.208 120 HD3 LYS 13 HD3 LYS 13 -21.346 6.945 -8.618 121 HE2 LYS 13 HE2 LYS 13 -21.352 5.173 -6.176 122 HE3 LYS 13 HE3 LYS 13 -20.958 6.891 -6.218 123 HZ1 LYS 13 HZ1 LYS 13 -23.580 5.594 -6.607 124 HZ2 LYS 13 HZ2 LYS 13 -23.291 7.155 -7.188 125 HZ3 LYS 13 HZ3 LYS 13 -23.160 6.831 -5.533 126 H GLY 14 H GLY 14 -17.991 3.538 -9.150 127 HA2 GLY 14 HA2 GLY 14 -17.708 0.785 -9.630 128 HA3 GLY 14 HA3 GLY 14 -16.834 1.654 -10.882 129 H GLU 15 H GLU 15 -15.270 0.119 -9.492 130 HA GLU 15 HA GLU 15 -13.679 1.980 -7.928 131 HB2 GLU 15 HB2 GLU 15 -15.054 0.964 -6.208 132 HB3 GLU 15 HB3 GLU 15 -14.667 -0.644 -6.803 133 HG2 GLU 15 HG2 GLU 15 -12.302 0.909 -6.143 134 HG3 GLU 15 HG3 GLU 15 -13.387 0.689 -4.772 135 H THR 16 H THR 16 -11.552 1.695 -8.254 136 HA THR 16 HA THR 16 -10.601 -0.875 -9.298 137 HB THR 16 HB THR 16 -9.055 0.863 -10.728 138 HG1 THR 16 HG1 THR 16 -10.112 2.700 -10.772 139 HG21 THR 16 HG21 THR 16 -11.205 0.283 -12.419 140 HG22 THR 16 HG22 THR 16 -11.177 -1.026 -11.238 141 HG23 THR 16 HG23 THR 16 -9.740 -0.671 -12.196 142 H THR 17 H THR 17 -8.314 -1.205 -9.069 143 HA THR 17 HA THR 17 -6.926 0.669 -7.293 144 HB THR 17 HB THR 17 -6.252 -1.005 -5.740 145 HG1 THR 17 HG1 THR 17 -7.394 -2.803 -7.612 146 HG21 THR 17 HG21 THR 17 -8.795 -0.151 -5.877 147 HG22 THR 17 HG22 THR 17 -8.208 -1.227 -4.609 148 HG23 THR 17 HG23 THR 17 -9.063 -1.889 -6.001 149 H THR 18 H THR 18 -4.632 0.457 -7.294 150 HA THR 18 HA THR 18 -3.461 -1.329 -9.286 151 HB THR 18 HB THR 18 -3.992 0.808 -10.464 152 HG1 THR 18 HG1 THR 18 -2.285 0.276 -11.580 153 HG21 THR 18 HG21 THR 18 -1.768 2.250 -9.217 154 HG22 THR 18 HG22 THR 18 -3.160 2.025 -8.158 155 HG23 THR 18 HG23 THR 18 -3.357 2.829 -9.715 156 H GLU 19 H GLU 19 -1.314 -1.836 -8.921 157 HA GLU 19 HA GLU 19 -0.258 -0.940 -6.328 158 HB2 GLU 19 HB2 GLU 19 -0.619 -3.352 -6.528 159 HB3 GLU 19 HB3 GLU 19 0.406 -3.400 -7.956 160 HG2 GLU 19 HG2 GLU 19 1.821 -2.187 -5.780 161 HG3 GLU 19 HG3 GLU 19 1.162 -3.744 -5.284 162 H ALA 20 H ALA 20 1.418 0.393 -6.303 163 HA ALA 20 HA ALA 20 3.388 0.281 -8.467 164 HB1 ALA 20 HB1 ALA 20 2.421 2.099 -9.373 165 HB2 ALA 20 HB2 ALA 20 1.586 2.531 -7.880 166 HB3 ALA 20 HB3 ALA 20 3.284 2.955 -8.095 167 H VAL 21 H VAL 21 5.460 1.003 -7.900 168 HA VAL 21 HA VAL 21 6.082 0.746 -5.108 169 HB VAL 21 HB VAL 21 7.942 1.488 -7.369 170 HG11 VAL 21 HG11 VAL 21 8.334 0.647 -4.526 171 HG12 VAL 21 HG12 VAL 21 9.561 0.278 -5.739 172 HG13 VAL 21 HG13 VAL 21 9.106 1.953 -5.425 173 HG21 VAL 21 HG21 VAL 21 8.529 -0.965 -7.291 174 HG22 VAL 21 HG22 VAL 21 7.068 -1.200 -6.331 175 HG23 VAL 21 HG23 VAL 21 6.952 -0.580 -7.978 176 H ASP 22 H ASP 22 5.538 3.350 -7.299 177 HA ASP 22 HA ASP 22 6.367 5.255 -5.209 178 HB2 ASP 22 HB2 ASP 22 7.356 5.046 -7.863 179 HB3 ASP 22 HB3 ASP 22 6.386 6.514 -7.779 180 H ALA 23 H ALA 23 5.096 7.129 -4.974 181 HA ALA 23 HA ALA 23 2.316 6.730 -5.462 182 HB1 ALA 23 HB1 ALA 23 3.561 9.308 -4.552 183 HB2 ALA 23 HB2 ALA 23 1.953 8.676 -4.195 184 HB3 ALA 23 HB3 ALA 23 3.377 7.920 -3.480 185 H ALA 24 H ALA 24 4.830 8.692 -6.937 186 HA ALA 24 HA ALA 24 3.212 10.383 -8.480 187 HB1 ALA 24 HB1 ALA 24 5.277 10.477 -9.988 188 HB2 ALA 24 HB2 ALA 24 5.463 10.993 -8.311 189 HB3 ALA 24 HB3 ALA 24 6.026 9.398 -8.811 190 H THR 25 H THR 25 4.424 7.128 -9.080 191 HA THR 25 HA THR 25 3.483 7.024 -11.786 192 HB THR 25 HB THR 25 4.004 4.547 -10.188 193 HG1 THR 25 HG1 THR 25 6.298 4.958 -10.748 194 HG21 THR 25 HG21 THR 25 4.227 3.598 -12.203 195 HG22 THR 25 HG22 THR 25 5.300 4.878 -12.771 196 HG23 THR 25 HG23 THR 25 3.551 5.086 -12.865 197 H ALA 26 H ALA 26 2.341 5.744 -8.680 198 HA ALA 26 HA ALA 26 0.107 4.358 -9.677 199 HB1 ALA 26 HB1 ALA 26 1.252 4.875 -7.152 200 HB2 ALA 26 HB2 ALA 26 -0.443 5.357 -7.061 201 HB3 ALA 26 HB3 ALA 26 -0.018 3.719 -7.557 202 H GLU 27 H GLU 27 0.443 7.662 -8.421 203 HA GLU 27 HA GLU 27 -2.294 8.341 -8.679 204 HB2 GLU 27 HB2 GLU 27 -0.820 9.603 -7.216 205 HB3 GLU 27 HB3 GLU 27 0.166 10.094 -8.587 206 HG2 GLU 27 HG2 GLU 27 -1.771 11.311 -9.506 207 HG3 GLU 27 HG3 GLU 27 -2.693 10.877 -8.067 208 H LYS 28 H LYS 28 0.476 8.602 -10.833 209 HA LYS 28 HA LYS 28 -0.740 10.203 -12.811 210 HB2 LYS 28 HB2 LYS 28 1.630 8.395 -12.704 211 HB3 LYS 28 HB3 LYS 28 1.044 8.904 -14.283 212 HG2 LYS 28 HG2 LYS 28 1.337 11.225 -13.686 213 HG3 LYS 28 HG3 LYS 28 1.817 10.771 -12.049 214 HD2 LYS 28 HD2 LYS 28 3.726 9.502 -13.052 215 HD3 LYS 28 HD3 LYS 28 3.287 10.187 -14.618 216 HE2 LYS 28 HE2 LYS 28 3.450 12.269 -12.652 217 HE3 LYS 28 HE3 LYS 28 4.932 11.314 -12.633 218 HZ1 LYS 28 HZ1 LYS 28 5.099 13.132 -14.199 219 HZ2 LYS 28 HZ2 LYS 28 3.721 12.598 -15.022 220 HZ3 LYS 28 HZ3 LYS 28 5.126 11.656 -15.026 221 H VAL 29 H VAL 29 -0.532 6.696 -12.389 222 HA VAL 29 HA VAL 29 -1.734 5.971 -14.829 223 HB VAL 29 HB VAL 29 -1.743 4.472 -12.205 224 HG11 VAL 29 HG11 VAL 29 -1.854 2.543 -14.042 225 HG12 VAL 29 HG12 VAL 29 -3.301 3.276 -13.347 226 HG13 VAL 29 HG13 VAL 29 -2.713 3.806 -14.923 227 HG21 VAL 29 HG21 VAL 29 0.422 5.173 -13.735 228 HG22 VAL 29 HG22 VAL 29 0.354 3.807 -12.622 229 HG23 VAL 29 HG23 VAL 29 0.030 3.563 -14.338 230 H PHE 30 H PHE 30 -3.085 6.700 -11.651 231 HA PHE 30 HA PHE 30 -5.747 5.943 -12.260 232 HB2 PHE 30 HB2 PHE 30 -4.455 7.591 -10.119 233 HB3 PHE 30 HB3 PHE 30 -6.207 7.613 -10.284 234 HD1 PHE 30 HD1 PHE 30 -7.010 4.967 -10.836 235 HD2 PHE 30 HD2 PHE 30 -3.813 6.285 -8.354 236 HE1 PHE 30 HE1 PHE 30 -7.158 2.880 -9.541 237 HE2 PHE 30 HE2 PHE 30 -3.956 4.200 -7.056 238 HZ PHE 30 HZ PHE 30 -5.629 2.494 -7.649 239 H LYS 31 H LYS 31 -4.175 9.136 -12.114 240 HA LYS 31 HA LYS 31 -6.403 10.604 -13.010 241 HB2 LYS 31 HB2 LYS 31 -3.547 11.102 -12.555 242 HB3 LYS 31 HB3 LYS 31 -4.245 12.093 -13.829 243 HG2 LYS 31 HG2 LYS 31 -5.368 11.866 -11.046 244 HG3 LYS 31 HG3 LYS 31 -4.289 13.151 -11.591 245 HD2 LYS 31 HD2 LYS 31 -6.964 12.516 -12.834 246 HD3 LYS 31 HD3 LYS 31 -6.691 13.784 -11.636 247 HE2 LYS 31 HE2 LYS 31 -4.754 14.195 -13.607 248 HE3 LYS 31 HE3 LYS 31 -6.235 13.814 -14.485 249 HZ1 LYS 31 HZ1 LYS 31 -6.897 15.580 -12.432 250 HZ2 LYS 31 HZ2 LYS 31 -6.926 15.865 -14.099 251 HZ3 LYS 31 HZ3 LYS 31 -5.532 16.212 -13.207 252 H GLN 32 H GLN 32 -3.742 9.056 -14.729 253 HA GLN 32 HA GLN 32 -4.394 10.123 -17.284 254 HB2 GLN 32 HB2 GLN 32 -2.163 9.329 -16.900 255 HB3 GLN 32 HB3 GLN 32 -2.749 7.734 -16.447 256 HG2 GLN 32 HG2 GLN 32 -3.694 8.357 -19.062 257 HG3 GLN 32 HG3 GLN 32 -1.957 8.650 -18.989 258 HE21 GLN 32 HE21 GLN 32 -3.964 6.260 -17.326 259 HE22 GLN 32 HE22 GLN 32 -3.146 4.875 -17.955 260 H TYR 33 H TYR 33 -5.049 7.010 -15.705 261 HA TYR 33 HA TYR 33 -6.454 5.871 -17.876 262 HB2 TYR 33 HB2 TYR 33 -5.566 4.451 -16.140 263 HB3 TYR 33 HB3 TYR 33 -6.535 5.263 -14.915 264 HD1 TYR 33 HD1 TYR 33 -6.896 3.282 -18.057 265 HD2 TYR 33 HD2 TYR 33 -8.583 4.358 -14.302 266 HE1 TYR 33 HE1 TYR 33 -8.693 1.639 -18.401 267 HE2 TYR 33 HE2 TYR 33 -10.384 2.716 -14.635 268 HH TYR 33 HH TYR 33 -10.277 0.279 -16.783 269 H ALA 34 H ALA 34 -7.478 7.777 -15.092 270 HA ALA 34 HA ALA 34 -10.274 7.489 -15.584 271 HB1 ALA 34 HB1 ALA 34 -9.128 8.111 -13.387 272 HB2 ALA 34 HB2 ALA 34 -9.034 9.746 -14.042 273 HB3 ALA 34 HB3 ALA 34 -10.604 8.978 -13.808 274 H ASN 35 H ASN 35 -7.903 10.047 -16.260 275 HA ASN 35 HA ASN 35 -9.667 11.902 -17.387 276 HB2 ASN 35 HB2 ASN 35 -7.535 12.729 -16.873 277 HB3 ASN 35 HB3 ASN 35 -6.719 11.407 -17.702 278 HD21 ASN 35 HD21 ASN 35 -5.542 12.404 -19.198 279 HD22 ASN 35 HD22 ASN 35 -6.161 13.487 -20.394 280 H ASP 36 H ASP 36 -7.776 9.312 -18.903 281 HA ASP 36 HA ASP 36 -8.458 9.838 -21.562 282 HB2 ASP 36 HB2 ASP 36 -6.743 8.155 -20.540 283 HB3 ASP 36 HB3 ASP 36 -8.098 7.029 -20.569 284 H ASN 37 H ASN 37 -10.277 8.397 -18.995 285 HA ASN 37 HA ASN 37 -12.222 7.145 -20.709 286 HB2 ASN 37 HB2 ASN 37 -11.551 7.055 -17.949 287 HB3 ASN 37 HB3 ASN 37 -13.238 7.548 -18.066 288 HD21 ASN 37 HD21 ASN 37 -11.166 5.317 -19.891 289 HD22 ASN 37 HD22 ASN 37 -12.223 3.956 -19.752 290 H GLY 38 H GLY 38 -11.603 10.301 -19.851 291 HA2 GLY 38 HA2 GLY 38 -12.788 12.209 -20.425 292 HA3 GLY 38 HA3 GLY 38 -14.129 11.187 -20.920 293 H VAL 39 H VAL 39 -12.784 10.751 -17.765 294 HA VAL 39 HA VAL 39 -15.257 11.214 -16.481 295 HB VAL 39 HB VAL 39 -13.529 9.719 -15.559 296 HG11 VAL 39 HG11 VAL 39 -11.449 10.359 -14.988 297 HG12 VAL 39 HG12 VAL 39 -11.764 11.703 -16.088 298 HG13 VAL 39 HG13 VAL 39 -11.989 11.912 -14.351 299 HG21 VAL 39 HG21 VAL 39 -15.213 10.428 -14.041 300 HG22 VAL 39 HG22 VAL 39 -13.676 10.544 -13.184 301 HG23 VAL 39 HG23 VAL 39 -14.444 11.999 -13.818 302 H ASP 40 H ASP 40 -16.145 13.001 -15.656 303 HA ASP 40 HA ASP 40 -14.458 15.398 -15.368 304 HB2 ASP 40 HB2 ASP 40 -15.991 15.395 -17.410 305 HB3 ASP 40 HB3 ASP 40 -17.333 15.487 -16.274 306 H GLY 41 H GLY 41 -14.860 16.709 -13.616 307 HA2 GLY 41 HA2 GLY 41 -16.904 17.126 -11.996 308 HA3 GLY 41 HA3 GLY 41 -16.484 15.489 -11.514 309 H GLU 42 H GLU 42 -15.660 15.745 -9.522 310 HA GLU 42 HA GLU 42 -13.412 17.629 -9.229 311 HB2 GLU 42 HB2 GLU 42 -15.770 17.740 -7.850 312 HB3 GLU 42 HB3 GLU 42 -14.771 16.786 -6.762 313 HG2 GLU 42 HG2 GLU 42 -13.176 18.513 -6.555 314 HG3 GLU 42 HG3 GLU 42 -13.871 19.412 -7.903 315 H TRP 43 H TRP 43 -11.617 16.954 -8.039 316 HA TRP 43 HA TRP 43 -11.499 14.058 -7.505 317 HB2 TRP 43 HB2 TRP 43 -9.512 15.897 -8.801 318 HB3 TRP 43 HB3 TRP 43 -8.960 14.446 -7.968 319 HD1 TRP 43 HD1 TRP 43 -11.055 15.529 -11.005 320 HE1 TRP 43 HE1 TRP 43 -11.197 13.547 -12.641 321 HE3 TRP 43 HE3 TRP 43 -8.807 11.944 -8.135 322 HZ2 TRP 43 HZ2 TRP 43 -10.455 10.825 -12.706 323 HZ3 TRP 43 HZ3 TRP 43 -8.563 9.677 -9.058 324 HH2 TRP 43 HH2 TRP 43 -9.371 9.130 -11.296 325 H THR 44 H THR 44 -10.675 13.394 -5.588 326 HA THR 44 HA THR 44 -9.767 15.497 -3.732 327 HB THR 44 HB THR 44 -10.813 12.947 -2.629 328 HG1 THR 44 HG1 THR 44 -12.476 14.952 -3.790 329 HG21 THR 44 HG21 THR 44 -11.702 14.444 -0.921 330 HG22 THR 44 HG22 THR 44 -11.203 15.845 -1.870 331 HG23 THR 44 HG23 THR 44 -9.989 14.762 -1.190 332 H TYR 45 H TYR 45 -8.007 15.093 -2.412 333 HA TYR 45 HA TYR 45 -6.568 12.567 -2.844 334 HB2 TYR 45 HB2 TYR 45 -5.389 15.347 -2.991 335 HB3 TYR 45 HB3 TYR 45 -4.434 13.870 -2.922 336 HD1 TYR 45 HD1 TYR 45 -3.805 12.830 -4.899 337 HD2 TYR 45 HD2 TYR 45 -7.119 15.499 -4.938 338 HE1 TYR 45 HE1 TYR 45 -3.930 12.631 -7.348 339 HE2 TYR 45 HE2 TYR 45 -7.253 15.306 -7.386 340 HH TYR 45 HH TYR 45 -5.884 12.943 -9.123 341 H ASP 46 H ASP 46 -6.419 11.616 -0.931 342 HA ASP 46 HA ASP 46 -6.058 13.287 1.464 343 HB2 ASP 46 HB2 ASP 46 -7.018 10.422 1.311 344 HB3 ASP 46 HB3 ASP 46 -6.973 11.439 2.749 345 H ASP 47 H ASP 47 -3.886 13.510 1.652 346 HA ASP 47 HA ASP 47 -1.991 11.501 1.066 347 HB2 ASP 47 HB2 ASP 47 -1.976 14.194 2.219 348 HB3 ASP 47 HB3 ASP 47 -0.730 13.142 2.886 349 H ALA 48 H ALA 48 -4.121 11.864 3.664 350 HA ALA 48 HA ALA 48 -2.545 10.703 5.734 351 HB1 ALA 48 HB1 ALA 48 -5.480 10.395 5.847 352 HB2 ALA 48 HB2 ALA 48 -4.351 11.003 7.060 353 HB3 ALA 48 HB3 ALA 48 -4.866 12.045 5.733 354 H THR 49 H THR 49 -4.973 9.416 3.486 355 HA THR 49 HA THR 49 -4.177 6.696 4.288 356 HB THR 49 HB THR 49 -6.341 5.989 3.194 357 HG1 THR 49 HG1 THR 49 -7.244 8.630 3.493 358 HG21 THR 49 HG21 THR 49 -6.432 7.840 5.577 359 HG22 THR 49 HG22 THR 49 -6.218 6.089 5.591 360 HG23 THR 49 HG23 THR 49 -7.759 6.786 5.092 361 H LYS 50 H LYS 50 -3.390 8.859 2.056 362 HA LYS 50 HA LYS 50 -2.649 8.831 -0.102 363 HB2 LYS 50 HB2 LYS 50 -2.076 5.909 0.356 364 HB3 LYS 50 HB3 LYS 50 -1.186 7.048 -0.645 365 HG2 LYS 50 HG2 LYS 50 -1.333 7.100 2.362 366 HG3 LYS 50 HG3 LYS 50 0.022 6.503 1.402 367 HD2 LYS 50 HD2 LYS 50 0.229 8.766 0.395 368 HD3 LYS 50 HD3 LYS 50 -1.030 9.330 1.495 369 HE2 LYS 50 HE2 LYS 50 1.208 9.856 2.336 370 HE3 LYS 50 HE3 LYS 50 0.356 8.745 3.407 371 HZ1 LYS 50 HZ1 LYS 50 2.850 8.363 2.545 372 HZ2 LYS 50 HZ2 LYS 50 1.996 7.494 1.372 373 HZ3 LYS 50 HZ3 LYS 50 1.817 7.107 3.009 374 H THR 51 H THR 51 -5.392 8.518 0.041 375 HA THR 51 HA THR 51 -5.901 6.688 -2.213 376 HB THR 51 HB THR 51 -6.924 5.898 -0.058 377 HG1 THR 51 HG1 THR 51 -8.899 6.638 -1.963 378 HG21 THR 51 HG21 THR 51 -8.930 8.101 -0.370 379 HG22 THR 51 HG22 THR 51 -7.479 8.348 0.602 380 HG23 THR 51 HG23 THR 51 -8.616 7.067 1.023 381 H PHE 52 H PHE 52 -7.070 7.472 -3.901 382 HA PHE 52 HA PHE 52 -7.908 10.291 -3.719 383 HB2 PHE 52 HB2 PHE 52 -7.196 8.869 -6.278 384 HB3 PHE 52 HB3 PHE 52 -7.310 10.602 -5.989 385 HD1 PHE 52 HD1 PHE 52 -5.018 8.533 -6.989 386 HD2 PHE 52 HD2 PHE 52 -5.744 10.883 -3.516 387 HE1 PHE 52 HE1 PHE 52 -2.600 8.610 -6.540 388 HE2 PHE 52 HE2 PHE 52 -3.328 10.965 -3.062 389 HZ PHE 52 HZ PHE 52 -1.752 9.828 -4.575 390 H THR 53 H THR 53 -9.775 10.928 -4.945 391 HA THR 53 HA THR 53 -11.542 8.796 -5.864 392 HB THR 53 HB THR 53 -12.078 9.081 -3.464 393 HG1 THR 53 HG1 THR 53 -14.242 10.206 -4.870 394 HG21 THR 53 HG21 THR 53 -12.059 11.114 -2.553 395 HG22 THR 53 HG22 THR 53 -13.485 11.527 -3.505 396 HG23 THR 53 HG23 THR 53 -11.874 11.856 -4.141 397 H VAL 54 H VAL 54 -13.316 9.551 -7.146 398 HA VAL 54 HA VAL 54 -13.130 12.355 -8.007 399 HB VAL 54 HB VAL 54 -11.900 11.105 -9.668 400 HG11 VAL 54 HG11 VAL 54 -12.759 9.231 -10.849 401 HG12 VAL 54 HG12 VAL 54 -13.011 8.911 -9.132 402 HG13 VAL 54 HG13 VAL 54 -14.361 9.435 -10.140 403 HG21 VAL 54 HG21 VAL 54 -13.879 12.840 -10.213 404 HG22 VAL 54 HG22 VAL 54 -12.842 12.130 -11.451 405 HG23 VAL 54 HG23 VAL 54 -14.437 11.446 -11.139 406 H THR 55 H THR 55 -15.040 13.311 -7.867 407 HA THR 55 HA THR 55 -17.467 11.650 -8.066 408 HB THR 55 HB THR 55 -17.095 14.245 -6.558 409 HG1 THR 55 HG1 THR 55 -16.141 12.481 -5.487 410 HG21 THR 55 HG21 THR 55 -19.326 14.352 -7.035 411 HG22 THR 55 HG22 THR 55 -19.400 13.297 -5.623 412 HG23 THR 55 HG23 THR 55 -19.477 12.608 -7.244 413 H GLU 56 H GLU 56 -19.127 12.290 -9.382 414 HA GLU 56 HA GLU 56 -18.632 14.674 -11.043 415 HB2 GLU 56 HB2 GLU 56 -20.174 12.273 -11.992 416 HB3 GLU 56 HB3 GLU 56 -19.452 13.559 -12.948 417 HG2 GLU 56 HG2 GLU 56 -17.208 12.703 -12.118 418 HG3 GLU 56 HG3 GLU 56 -18.086 11.280 -11.560 Start of MODEL 2 1 H MET 1 H MET 1 1.046 0.658 0.366 2 HA MET 1 HA MET 1 2.457 1.385 -1.284 3 HB2 MET 1 HB2 MET 1 3.712 -0.156 -2.629 4 HB3 MET 1 HB3 MET 1 3.651 -0.791 -0.990 5 HG2 MET 1 HG2 MET 1 1.661 -2.176 -1.801 6 HG3 MET 1 HG3 MET 1 2.197 -1.748 -3.424 7 HE1 MET 1 HE1 MET 1 4.422 -4.074 -4.464 8 HE2 MET 1 HE2 MET 1 3.853 -2.409 -4.583 9 HE3 MET 1 HE3 MET 1 5.451 -2.750 -3.917 10 H GLN 2 H GLN 2 -0.188 -0.763 -2.007 11 HA GLN 2 HA GLN 2 -0.520 0.420 -4.663 12 HB2 GLN 2 HB2 GLN 2 -2.206 -1.326 -5.021 13 HB3 GLN 2 HB3 GLN 2 -0.665 -2.014 -4.526 14 HG2 GLN 2 HG2 GLN 2 -1.609 -3.023 -2.803 15 HG3 GLN 2 HG3 GLN 2 -2.272 -1.499 -2.217 16 HE21 GLN 2 HE21 GLN 2 -4.309 -0.791 -3.153 17 HE22 GLN 2 HE22 GLN 2 -5.464 -1.978 -3.646 18 H TYR 3 H TYR 3 -2.262 1.650 -5.240 19 HA TYR 3 HA TYR 3 -4.040 2.478 -3.041 20 HB2 TYR 3 HB2 TYR 3 -3.188 4.068 -5.469 21 HB3 TYR 3 HB3 TYR 3 -4.246 4.639 -4.184 22 HD1 TYR 3 HD1 TYR 3 -2.831 3.640 -1.789 23 HD2 TYR 3 HD2 TYR 3 -1.313 5.449 -5.328 24 HE1 TYR 3 HE1 TYR 3 -0.875 4.443 -0.532 25 HE2 TYR 3 HE2 TYR 3 0.648 6.257 -4.081 26 HH TYR 3 HH TYR 3 1.165 5.376 -0.699 27 H LYS 4 H LYS 4 -6.221 3.124 -3.654 28 HA LYS 4 HA LYS 4 -7.188 1.726 -6.061 29 HB2 LYS 4 HB2 LYS 4 -9.086 0.917 -4.891 30 HB3 LYS 4 HB3 LYS 4 -7.697 0.560 -3.873 31 HG2 LYS 4 HG2 LYS 4 -8.368 2.939 -2.857 32 HG3 LYS 4 HG3 LYS 4 -9.953 2.412 -3.428 33 HD2 LYS 4 HD2 LYS 4 -9.636 0.286 -2.185 34 HD3 LYS 4 HD3 LYS 4 -8.124 0.929 -1.540 35 HE2 LYS 4 HE2 LYS 4 -9.189 2.451 -0.191 36 HE3 LYS 4 HE3 LYS 4 -10.611 2.537 -1.230 37 HZ1 LYS 4 HZ1 LYS 4 -10.447 1.155 1.089 38 HZ2 LYS 4 HZ2 LYS 4 -10.200 -0.057 -0.064 39 HZ3 LYS 4 HZ3 LYS 4 -11.599 0.892 -0.121 40 H LEU 5 H LEU 5 -8.576 2.814 -7.345 41 HA LEU 5 HA LEU 5 -9.194 5.574 -6.590 42 HB2 LEU 5 HB2 LEU 5 -8.126 4.625 -8.859 43 HB3 LEU 5 HB3 LEU 5 -9.833 4.564 -9.296 44 HG LEU 5 HG LEU 5 -8.762 6.620 -10.074 45 HD11 LEU 5 HD11 LEU 5 -10.624 7.343 -7.835 46 HD12 LEU 5 HD12 LEU 5 -11.181 6.490 -9.275 47 HD13 LEU 5 HD13 LEU 5 -10.460 8.093 -9.424 48 HD21 LEU 5 HD21 LEU 5 -7.271 6.566 -7.859 49 HD22 LEU 5 HD22 LEU 5 -8.517 7.694 -7.327 50 HD23 LEU 5 HD23 LEU 5 -7.570 8.044 -8.774 51 H ILE 6 H ILE 6 -11.201 6.246 -6.162 52 HA ILE 6 HA ILE 6 -13.407 4.347 -6.616 53 HB ILE 6 HB ILE 6 -13.204 6.531 -4.539 54 HG12 ILE 6 HG12 ILE 6 -13.553 4.011 -3.344 55 HG13 ILE 6 HG13 ILE 6 -12.322 3.780 -4.581 56 HG21 ILE 6 HG21 ILE 6 -15.476 6.365 -5.031 57 HG22 ILE 6 HG22 ILE 6 -15.392 4.622 -5.279 58 HG23 ILE 6 HG23 ILE 6 -15.270 5.288 -3.651 59 HD11 ILE 6 HD11 ILE 6 -10.901 4.474 -3.015 60 HD12 ILE 6 HD12 ILE 6 -11.506 6.090 -3.382 61 HD13 ILE 6 HD13 ILE 6 -12.183 5.181 -2.032 62 H LEU 7 H LEU 7 -14.970 4.917 -7.977 63 HA LEU 7 HA LEU 7 -15.055 7.696 -8.919 64 HB2 LEU 7 HB2 LEU 7 -16.433 5.359 -10.201 65 HB3 LEU 7 HB3 LEU 7 -16.013 6.913 -10.919 66 HG LEU 7 HG LEU 7 -13.943 4.903 -10.058 67 HD11 LEU 7 HD11 LEU 7 -13.898 4.674 -12.708 68 HD12 LEU 7 HD12 LEU 7 -15.617 5.008 -12.499 69 HD13 LEU 7 HD13 LEU 7 -14.881 3.629 -11.683 70 HD21 LEU 7 HD21 LEU 7 -12.844 6.903 -10.327 71 HD22 LEU 7 HD22 LEU 7 -13.957 7.474 -11.571 72 HD23 LEU 7 HD23 LEU 7 -12.751 6.246 -11.961 73 H ASN 8 H ASN 8 -16.619 8.961 -8.190 74 HA ASN 8 HA ASN 8 -19.104 7.713 -7.219 75 HB2 ASN 8 HB2 ASN 8 -17.595 9.013 -5.590 76 HB3 ASN 8 HB3 ASN 8 -18.142 10.458 -6.435 77 HD21 ASN 8 HD21 ASN 8 -20.562 10.629 -6.651 78 HD22 ASN 8 HD22 ASN 8 -21.496 10.201 -5.261 79 H GLY 9 H GLY 9 -19.620 7.791 -9.612 80 HA2 GLY 9 HA2 GLY 9 -20.222 10.394 -10.715 81 HA3 GLY 9 HA3 GLY 9 -20.539 8.839 -11.470 82 H LYS 10 H LYS 10 -22.385 10.870 -11.617 83 HA LYS 10 HA LYS 10 -24.374 10.575 -9.560 84 HB2 LYS 10 HB2 LYS 10 -24.751 11.820 -12.282 85 HB3 LYS 10 HB3 LYS 10 -25.680 12.128 -10.821 86 HG2 LYS 10 HG2 LYS 10 -22.767 12.809 -11.156 87 HG3 LYS 10 HG3 LYS 10 -24.099 13.940 -11.411 88 HD2 LYS 10 HD2 LYS 10 -23.793 14.444 -9.242 89 HD3 LYS 10 HD3 LYS 10 -24.693 12.954 -8.945 90 HE2 LYS 10 HE2 LYS 10 -22.056 12.145 -9.361 91 HE3 LYS 10 HE3 LYS 10 -21.937 13.593 -8.362 92 HZ1 LYS 10 HZ1 LYS 10 -23.943 12.229 -7.186 93 HZ2 LYS 10 HZ2 LYS 10 -22.329 12.197 -6.683 94 HZ3 LYS 10 HZ3 LYS 10 -22.926 10.974 -7.688 95 H THR 11 H THR 11 -23.946 9.446 -12.884 96 HA THR 11 HA THR 11 -26.233 7.628 -12.483 97 HB THR 11 HB THR 11 -26.657 9.244 -14.279 98 HG1 THR 11 HG1 THR 11 -27.520 7.164 -14.552 99 HG21 THR 11 HG21 THR 11 -24.313 9.649 -14.925 100 HG22 THR 11 HG22 THR 11 -25.320 9.242 -16.314 101 HG23 THR 11 HG23 THR 11 -24.239 8.033 -15.624 102 H LEU 12 H LEU 12 -23.164 7.461 -12.054 103 HA LEU 12 HA LEU 12 -22.952 4.720 -12.926 104 HB2 LEU 12 HB2 LEU 12 -20.973 4.952 -14.232 105 HB3 LEU 12 HB3 LEU 12 -22.198 6.033 -14.893 106 HG LEU 12 HG LEU 12 -20.866 7.716 -13.232 107 HD11 LEU 12 HD11 LEU 12 -18.413 7.205 -13.985 108 HD12 LEU 12 HD12 LEU 12 -18.997 5.542 -14.048 109 HD13 LEU 12 HD13 LEU 12 -19.082 6.450 -12.538 110 HD21 LEU 12 HD21 LEU 12 -21.494 7.803 -15.742 111 HD22 LEU 12 HD22 LEU 12 -19.845 7.234 -16.004 112 HD23 LEU 12 HD23 LEU 12 -20.130 8.760 -15.165 113 H LYS 13 H LYS 13 -21.589 3.538 -11.658 114 HA LYS 13 HA LYS 13 -19.787 4.945 -9.833 115 HB2 LYS 13 HB2 LYS 13 -21.965 3.032 -8.985 116 HB3 LYS 13 HB3 LYS 13 -20.622 3.495 -7.948 117 HG2 LYS 13 HG2 LYS 13 -22.585 5.438 -9.144 118 HG3 LYS 13 HG3 LYS 13 -22.715 4.754 -7.522 119 HD2 LYS 13 HD2 LYS 13 -20.082 5.858 -8.016 120 HD3 LYS 13 HD3 LYS 13 -21.351 7.062 -8.251 121 HE2 LYS 13 HE2 LYS 13 -20.458 6.950 -5.925 122 HE3 LYS 13 HE3 LYS 13 -22.199 6.699 -6.046 123 HZ1 LYS 13 HZ1 LYS 13 -22.004 4.479 -5.548 124 HZ2 LYS 13 HZ2 LYS 13 -20.776 5.132 -4.585 125 HZ3 LYS 13 HZ3 LYS 13 -20.392 4.378 -6.050 126 H GLY 14 H GLY 14 -18.079 3.670 -9.019 127 HA2 GLY 14 HA2 GLY 14 -17.802 0.902 -9.411 128 HA3 GLY 14 HA3 GLY 14 -17.078 1.728 -10.784 129 H GLU 15 H GLU 15 -15.351 0.274 -9.504 130 HA GLU 15 HA GLU 15 -13.678 2.225 -8.127 131 HB2 GLU 15 HB2 GLU 15 -15.096 0.550 -6.574 132 HB3 GLU 15 HB3 GLU 15 -13.705 -0.475 -6.900 133 HG2 GLU 15 HG2 GLU 15 -12.251 1.403 -6.114 134 HG3 GLU 15 HG3 GLU 15 -13.718 2.236 -5.603 135 H THR 16 H THR 16 -11.427 1.621 -8.054 136 HA THR 16 HA THR 16 -10.630 -0.649 -9.708 137 HB THR 16 HB THR 16 -8.981 1.540 -10.497 138 HG1 THR 16 HG1 THR 16 -10.727 2.914 -10.065 139 HG21 THR 16 HG21 THR 16 -9.290 -0.467 -11.811 140 HG22 THR 16 HG22 THR 16 -9.827 0.927 -12.748 141 HG23 THR 16 HG23 THR 16 -11.012 -0.130 -11.981 142 H THR 17 H THR 17 -8.268 -1.019 -9.639 143 HA THR 17 HA THR 17 -6.907 0.208 -7.358 144 HB THR 17 HB THR 17 -6.188 -1.981 -6.490 145 HG1 THR 17 HG1 THR 17 -8.133 -3.111 -8.235 146 HG21 THR 17 HG21 THR 17 -8.409 -0.736 -5.845 147 HG22 THR 17 HG22 THR 17 -8.074 -2.350 -5.217 148 HG23 THR 17 HG23 THR 17 -9.168 -2.145 -6.585 149 H THR 18 H THR 18 -4.655 0.132 -7.456 150 HA THR 18 HA THR 18 -3.414 -1.175 -9.753 151 HB THR 18 HB THR 18 -4.006 1.119 -10.507 152 HG1 THR 18 HG1 THR 18 -2.234 0.957 -11.640 153 HG21 THR 18 HG21 THR 18 -3.138 3.052 -9.522 154 HG22 THR 18 HG22 THR 18 -1.933 2.154 -8.599 155 HG23 THR 18 HG23 THR 18 -3.634 2.075 -8.141 156 H GLU 19 H GLU 19 -1.253 -1.672 -9.473 157 HA GLU 19 HA GLU 19 -0.229 -1.253 -6.749 158 HB2 GLU 19 HB2 GLU 19 1.289 -3.204 -7.341 159 HB3 GLU 19 HB3 GLU 19 -0.421 -3.571 -7.159 160 HG2 GLU 19 HG2 GLU 19 -0.722 -3.955 -9.400 161 HG3 GLU 19 HG3 GLU 19 0.644 -2.943 -9.867 162 H ALA 20 H ALA 20 1.421 0.085 -6.476 163 HA ALA 20 HA ALA 20 3.447 0.352 -8.559 164 HB1 ALA 20 HB1 ALA 20 1.726 2.100 -8.990 165 HB2 ALA 20 HB2 ALA 20 2.087 2.780 -7.403 166 HB3 ALA 20 HB3 ALA 20 3.333 2.742 -8.650 167 H VAL 21 H VAL 21 5.461 0.996 -7.805 168 HA VAL 21 HA VAL 21 5.931 0.527 -5.011 169 HB VAL 21 HB VAL 21 7.861 1.392 -7.169 170 HG11 VAL 21 HG11 VAL 21 9.544 0.393 -5.559 171 HG12 VAL 21 HG12 VAL 21 8.838 1.941 -5.091 172 HG13 VAL 21 HG13 VAL 21 8.269 0.448 -4.343 173 HG21 VAL 21 HG21 VAL 21 7.312 -0.680 -7.920 174 HG22 VAL 21 HG22 VAL 21 8.503 -1.156 -6.709 175 HG23 VAL 21 HG23 VAL 21 6.782 -1.237 -6.333 176 H ASP 22 H ASP 22 5.552 3.296 -7.050 177 HA ASP 22 HA ASP 22 6.190 5.035 -4.759 178 HB2 ASP 22 HB2 ASP 22 6.538 5.865 -7.637 179 HB3 ASP 22 HB3 ASP 22 7.139 6.673 -6.192 180 H ALA 23 H ALA 23 4.905 6.896 -4.499 181 HA ALA 23 HA ALA 23 2.178 6.552 -5.257 182 HB1 ALA 23 HB1 ALA 23 3.002 7.562 -3.102 183 HB2 ALA 23 HB2 ALA 23 3.384 9.017 -4.023 184 HB3 ALA 23 HB3 ALA 23 1.717 8.452 -3.919 185 H ALA 24 H ALA 24 4.802 8.638 -6.330 186 HA ALA 24 HA ALA 24 3.309 10.420 -7.898 187 HB1 ALA 24 HB1 ALA 24 5.593 10.484 -9.216 188 HB2 ALA 24 HB2 ALA 24 5.446 11.170 -7.597 189 HB3 ALA 24 HB3 ALA 24 6.157 9.571 -7.817 190 H THR 25 H THR 25 4.623 7.230 -8.596 191 HA THR 25 HA THR 25 4.035 7.306 -11.392 192 HB THR 25 HB THR 25 4.496 4.880 -9.646 193 HG1 THR 25 HG1 THR 25 6.678 5.112 -10.454 194 HG21 THR 25 HG21 THR 25 4.832 5.250 -12.625 195 HG22 THR 25 HG22 THR 25 3.487 4.410 -11.853 196 HG23 THR 25 HG23 THR 25 5.124 3.771 -11.712 197 H ALA 26 H ALA 26 2.421 5.965 -8.542 198 HA ALA 26 HA ALA 26 0.314 4.703 -9.959 199 HB1 ALA 26 HB1 ALA 26 0.942 5.299 -7.145 200 HB2 ALA 26 HB2 ALA 26 -0.771 5.120 -7.526 201 HB3 ALA 26 HB3 ALA 26 0.355 3.812 -7.890 202 H GLU 27 H GLU 27 0.584 7.849 -8.335 203 HA GLU 27 HA GLU 27 -2.024 8.733 -8.623 204 HB2 GLU 27 HB2 GLU 27 -0.489 10.003 -7.302 205 HB3 GLU 27 HB3 GLU 27 0.579 10.258 -8.675 206 HG2 GLU 27 HG2 GLU 27 -1.098 11.658 -9.741 207 HG3 GLU 27 HG3 GLU 27 -2.200 11.379 -8.394 208 H LYS 28 H LYS 28 0.631 8.803 -10.944 209 HA LYS 28 HA LYS 28 -0.669 10.359 -12.911 210 HB2 LYS 28 HB2 LYS 28 1.682 8.518 -12.873 211 HB3 LYS 28 HB3 LYS 28 1.022 9.002 -14.429 212 HG2 LYS 28 HG2 LYS 28 1.275 11.382 -13.696 213 HG3 LYS 28 HG3 LYS 28 2.143 10.783 -12.280 214 HD2 LYS 28 HD2 LYS 28 3.980 10.946 -13.550 215 HD3 LYS 28 HD3 LYS 28 3.397 9.485 -14.350 216 HE2 LYS 28 HE2 LYS 28 2.606 10.639 -16.176 217 HE3 LYS 28 HE3 LYS 28 2.397 12.138 -15.272 218 HZ1 LYS 28 HZ1 LYS 28 4.235 12.355 -16.777 219 HZ2 LYS 28 HZ2 LYS 28 4.973 10.962 -16.165 220 HZ3 LYS 28 HZ3 LYS 28 4.833 12.340 -15.194 221 H VAL 29 H VAL 29 -0.553 6.889 -12.292 222 HA VAL 29 HA VAL 29 -1.839 6.058 -14.663 223 HB VAL 29 HB VAL 29 -1.799 4.708 -11.960 224 HG11 VAL 29 HG11 VAL 29 -3.452 3.537 -13.015 225 HG12 VAL 29 HG12 VAL 29 -2.825 3.888 -14.627 226 HG13 VAL 29 HG13 VAL 29 -2.041 2.670 -13.621 227 HG21 VAL 29 HG21 VAL 29 0.138 3.584 -12.628 228 HG22 VAL 29 HG22 VAL 29 -0.076 4.029 -14.321 229 HG23 VAL 29 HG23 VAL 29 0.413 5.248 -13.144 230 H PHE 30 H PHE 30 -3.053 7.085 -11.524 231 HA PHE 30 HA PHE 30 -5.740 6.312 -11.900 232 HB2 PHE 30 HB2 PHE 30 -4.437 8.383 -10.139 233 HB3 PHE 30 HB3 PHE 30 -6.176 8.107 -10.129 234 HD1 PHE 30 HD1 PHE 30 -3.602 7.583 -8.150 235 HD2 PHE 30 HD2 PHE 30 -6.413 5.232 -10.315 236 HE1 PHE 30 HE1 PHE 30 -3.295 5.744 -6.544 237 HE2 PHE 30 HE2 PHE 30 -6.112 3.390 -8.712 238 HZ PHE 30 HZ PHE 30 -4.552 3.644 -6.824 239 H LYS 31 H LYS 31 -4.155 9.475 -12.306 240 HA LYS 31 HA LYS 31 -6.453 10.763 -13.355 241 HB2 LYS 31 HB2 LYS 31 -3.618 11.418 -12.942 242 HB3 LYS 31 HB3 LYS 31 -4.349 12.229 -14.321 243 HG2 LYS 31 HG2 LYS 31 -5.480 12.274 -11.532 244 HG3 LYS 31 HG3 LYS 31 -4.444 13.529 -12.214 245 HD2 LYS 31 HD2 LYS 31 -7.102 12.662 -13.352 246 HD3 LYS 31 HD3 LYS 31 -6.844 14.094 -12.351 247 HE2 LYS 31 HE2 LYS 31 -4.939 14.285 -14.372 248 HE3 LYS 31 HE3 LYS 31 -6.394 13.709 -15.183 249 HZ1 LYS 31 HZ1 LYS 31 -6.415 16.075 -15.192 250 HZ2 LYS 31 HZ2 LYS 31 -6.123 16.156 -13.528 251 HZ3 LYS 31 HZ3 LYS 31 -7.602 15.565 -14.099 252 H GLN 32 H GLN 32 -3.743 9.060 -14.817 253 HA GLN 32 HA GLN 32 -4.288 9.806 -17.495 254 HB2 GLN 32 HB2 GLN 32 -2.110 8.969 -16.934 255 HB3 GLN 32 HB3 GLN 32 -2.785 7.465 -16.322 256 HG2 GLN 32 HG2 GLN 32 -3.613 7.815 -19.026 257 HG3 GLN 32 HG3 GLN 32 -1.868 8.043 -18.922 258 HE21 GLN 32 HE21 GLN 32 -4.037 5.950 -17.070 259 HE22 GLN 32 HE22 GLN 32 -3.261 4.468 -17.502 260 H TYR 33 H TYR 33 -5.137 6.934 -15.585 261 HA TYR 33 HA TYR 33 -6.522 5.603 -17.655 262 HB2 TYR 33 HB2 TYR 33 -5.679 4.532 -15.556 263 HB3 TYR 33 HB3 TYR 33 -6.979 5.331 -14.678 264 HD1 TYR 33 HD1 TYR 33 -9.334 4.688 -15.101 265 HD2 TYR 33 HD2 TYR 33 -6.090 2.582 -16.874 266 HE1 TYR 33 HE1 TYR 33 -10.841 2.814 -15.617 267 HE2 TYR 33 HE2 TYR 33 -7.588 0.703 -17.396 268 HH TYR 33 HH TYR 33 -11.044 0.920 -16.922 269 H ALA 34 H ALA 34 -7.536 7.899 -15.183 270 HA ALA 34 HA ALA 34 -10.328 7.667 -15.719 271 HB1 ALA 34 HB1 ALA 34 -9.278 8.512 -13.583 272 HB2 ALA 34 HB2 ALA 34 -8.965 10.022 -14.438 273 HB3 ALA 34 HB3 ALA 34 -10.623 9.464 -14.212 274 H ASN 35 H ASN 35 -7.788 9.911 -16.746 275 HA ASN 35 HA ASN 35 -9.388 11.747 -18.110 276 HB2 ASN 35 HB2 ASN 35 -7.159 12.398 -17.762 277 HB3 ASN 35 HB3 ASN 35 -6.521 10.896 -18.424 278 HD21 ASN 35 HD21 ASN 35 -6.161 10.723 -20.575 279 HD22 ASN 35 HD22 ASN 35 -6.386 12.017 -21.697 280 H ASP 36 H ASP 36 -7.810 8.790 -19.278 281 HA ASP 36 HA ASP 36 -8.570 9.001 -21.964 282 HB2 ASP 36 HB2 ASP 36 -7.880 6.656 -20.208 283 HB3 ASP 36 HB3 ASP 36 -8.344 6.431 -21.892 284 H ASN 37 H ASN 37 -10.357 8.061 -19.150 285 HA ASN 37 HA ASN 37 -12.505 6.853 -20.680 286 HB2 ASN 37 HB2 ASN 37 -11.609 6.706 -17.995 287 HB3 ASN 37 HB3 ASN 37 -13.241 7.369 -17.956 288 HD21 ASN 37 HD21 ASN 37 -11.661 4.622 -17.626 289 HD22 ASN 37 HD22 ASN 37 -12.804 3.498 -18.272 290 H GLY 38 H GLY 38 -11.566 9.954 -19.927 291 HA2 GLY 38 HA2 GLY 38 -12.630 11.956 -20.386 292 HA3 GLY 38 HA3 GLY 38 -14.068 11.046 -20.825 293 H VAL 39 H VAL 39 -12.617 10.460 -17.744 294 HA VAL 39 HA VAL 39 -14.983 11.110 -16.341 295 HB VAL 39 HB VAL 39 -12.218 10.811 -15.167 296 HG11 VAL 39 HG11 VAL 39 -14.464 11.628 -13.915 297 HG12 VAL 39 HG12 VAL 39 -14.611 9.880 -13.725 298 HG13 VAL 39 HG13 VAL 39 -13.177 10.716 -13.129 299 HG21 VAL 39 HG21 VAL 39 -13.706 8.440 -14.860 300 HG22 VAL 39 HG22 VAL 39 -13.826 8.897 -16.559 301 HG23 VAL 39 HG23 VAL 39 -12.242 8.685 -15.812 302 H ASP 40 H ASP 40 -15.730 13.047 -15.821 303 HA ASP 40 HA ASP 40 -13.802 15.203 -15.266 304 HB2 ASP 40 HB2 ASP 40 -15.038 15.372 -17.506 305 HB3 ASP 40 HB3 ASP 40 -16.485 15.684 -16.551 306 H GLY 41 H GLY 41 -14.295 16.594 -13.590 307 HA2 GLY 41 HA2 GLY 41 -16.537 17.208 -12.284 308 HA3 GLY 41 HA3 GLY 41 -16.259 15.574 -11.698 309 H GLU 42 H GLU 42 -15.638 15.832 -9.640 310 HA GLU 42 HA GLU 42 -13.446 17.726 -9.103 311 HB2 GLU 42 HB2 GLU 42 -15.958 17.539 -7.884 312 HB3 GLU 42 HB3 GLU 42 -14.839 16.829 -6.729 313 HG2 GLU 42 HG2 GLU 42 -14.822 19.036 -6.106 314 HG3 GLU 42 HG3 GLU 42 -13.425 18.956 -7.178 315 H TRP 43 H TRP 43 -11.631 17.009 -8.107 316 HA TRP 43 HA TRP 43 -11.517 14.131 -7.485 317 HB2 TRP 43 HB2 TRP 43 -9.503 15.991 -8.716 318 HB3 TRP 43 HB3 TRP 43 -8.980 14.521 -7.897 319 HD1 TRP 43 HD1 TRP 43 -10.945 15.685 -10.983 320 HE1 TRP 43 HE1 TRP 43 -11.074 13.730 -12.652 321 HE3 TRP 43 HE3 TRP 43 -8.900 12.005 -8.082 322 HZ2 TRP 43 HZ2 TRP 43 -10.399 10.990 -12.728 323 HZ3 TRP 43 HZ3 TRP 43 -8.678 9.745 -9.027 324 HH2 TRP 43 HH2 TRP 43 -9.413 9.250 -11.303 325 H THR 44 H THR 44 -10.736 13.481 -5.546 326 HA THR 44 HA THR 44 -9.936 15.601 -3.662 327 HB THR 44 HB THR 44 -10.844 13.001 -2.575 328 HG1 THR 44 HG1 THR 44 -13.091 13.979 -2.821 329 HG21 THR 44 HG21 THR 44 -11.769 14.364 -0.855 330 HG22 THR 44 HG22 THR 44 -11.641 15.816 -1.849 331 HG23 THR 44 HG23 THR 44 -10.184 15.034 -1.237 332 H TYR 45 H TYR 45 -8.195 15.259 -2.290 333 HA TYR 45 HA TYR 45 -6.607 12.828 -2.743 334 HB2 TYR 45 HB2 TYR 45 -5.543 15.660 -2.743 335 HB3 TYR 45 HB3 TYR 45 -4.549 14.208 -2.783 336 HD1 TYR 45 HD1 TYR 45 -4.054 13.151 -4.821 337 HD2 TYR 45 HD2 TYR 45 -7.137 16.080 -4.678 338 HE1 TYR 45 HE1 TYR 45 -4.187 13.122 -7.277 339 HE2 TYR 45 HE2 TYR 45 -7.280 16.058 -7.133 340 HH TYR 45 HH TYR 45 -5.191 15.206 -9.089 341 H ASP 46 H ASP 46 -6.455 11.838 -0.850 342 HA ASP 46 HA ASP 46 -6.164 13.476 1.581 343 HB2 ASP 46 HB2 ASP 46 -7.172 10.631 1.399 344 HB3 ASP 46 HB3 ASP 46 -7.163 11.660 2.829 345 H ASP 47 H ASP 47 -3.989 13.645 1.805 346 HA ASP 47 HA ASP 47 -2.135 11.594 1.232 347 HB2 ASP 47 HB2 ASP 47 -0.489 13.000 2.269 348 HB3 ASP 47 HB3 ASP 47 -1.607 14.043 1.394 349 H ALA 48 H ALA 48 -4.299 11.988 3.797 350 HA ALA 48 HA ALA 48 -2.786 10.769 5.881 351 HB1 ALA 48 HB1 ALA 48 -4.741 10.832 7.159 352 HB2 ALA 48 HB2 ALA 48 -4.878 12.231 6.092 353 HB3 ALA 48 HB3 ALA 48 -5.782 10.759 5.737 354 H THR 49 H THR 49 -5.221 9.568 3.593 355 HA THR 49 HA THR 49 -4.502 6.820 4.376 356 HB THR 49 HB THR 49 -6.678 6.179 3.264 357 HG1 THR 49 HG1 THR 49 -8.189 7.996 3.118 358 HG21 THR 49 HG21 THR 49 -6.637 6.203 5.636 359 HG22 THR 49 HG22 THR 49 -8.090 7.085 5.164 360 HG23 THR 49 HG23 THR 49 -6.655 7.966 5.689 361 H LYS 50 H LYS 50 -3.631 8.975 2.177 362 HA LYS 50 HA LYS 50 -2.885 8.950 0.019 363 HB2 LYS 50 HB2 LYS 50 -2.384 6.014 0.479 364 HB3 LYS 50 HB3 LYS 50 -1.473 7.122 -0.537 365 HG2 LYS 50 HG2 LYS 50 -0.050 7.172 1.186 366 HG3 LYS 50 HG3 LYS 50 -1.207 8.308 1.885 367 HD2 LYS 50 HD2 LYS 50 -2.325 5.999 2.666 368 HD3 LYS 50 HD3 LYS 50 -0.636 5.492 2.594 369 HE2 LYS 50 HE2 LYS 50 0.013 7.205 4.129 370 HE3 LYS 50 HE3 LYS 50 -1.585 7.945 4.064 371 HZ1 LYS 50 HZ1 LYS 50 -1.293 6.645 6.076 372 HZ2 LYS 50 HZ2 LYS 50 -0.972 5.256 5.166 373 HZ3 LYS 50 HZ3 LYS 50 -2.504 5.970 5.107 374 H THR 51 H THR 51 -5.708 8.441 0.359 375 HA THR 51 HA THR 51 -6.231 6.689 -1.952 376 HB THR 51 HB THR 51 -7.305 6.034 0.231 377 HG1 THR 51 HG1 THR 51 -8.518 5.144 -1.263 378 HG21 THR 51 HG21 THR 51 -9.279 8.232 -0.206 379 HG22 THR 51 HG22 THR 51 -7.804 8.569 0.701 380 HG23 THR 51 HG23 THR 51 -8.918 7.321 1.259 381 H PHE 52 H PHE 52 -7.354 7.458 -3.679 382 HA PHE 52 HA PHE 52 -8.132 10.299 -3.589 383 HB2 PHE 52 HB2 PHE 52 -7.262 8.828 -6.074 384 HB3 PHE 52 HB3 PHE 52 -7.427 10.566 -5.844 385 HD1 PHE 52 HD1 PHE 52 -5.040 8.491 -6.620 386 HD2 PHE 52 HD2 PHE 52 -6.021 10.980 -3.309 387 HE1 PHE 52 HE1 PHE 52 -2.657 8.632 -6.025 388 HE2 PHE 52 HE2 PHE 52 -3.639 11.126 -2.709 389 HZ PHE 52 HZ PHE 52 -1.953 9.952 -4.068 390 H THR 53 H THR 53 -9.944 10.935 -4.869 391 HA THR 53 HA THR 53 -11.659 8.814 -5.903 392 HB THR 53 HB THR 53 -12.404 8.950 -3.610 393 HG1 THR 53 HG1 THR 53 -14.494 9.141 -4.124 394 HG21 THR 53 HG21 THR 53 -13.435 11.647 -3.586 395 HG22 THR 53 HG22 THR 53 -11.685 11.644 -3.803 396 HG23 THR 53 HG23 THR 53 -12.403 10.833 -2.412 397 H VAL 54 H VAL 54 -13.374 9.585 -7.254 398 HA VAL 54 HA VAL 54 -13.144 12.400 -8.070 399 HB VAL 54 HB VAL 54 -11.864 11.155 -9.697 400 HG11 VAL 54 HG11 VAL 54 -14.322 9.516 -10.279 401 HG12 VAL 54 HG12 VAL 54 -12.695 9.301 -10.928 402 HG13 VAL 54 HG13 VAL 54 -13.018 8.968 -9.226 403 HG21 VAL 54 HG21 VAL 54 -12.867 11.965 -11.647 404 HG22 VAL 54 HG22 VAL 54 -14.497 11.695 -11.032 405 HG23 VAL 54 HG23 VAL 54 -13.511 13.001 -10.374 406 H THR 55 H THR 55 -15.050 13.370 -7.982 407 HA THR 55 HA THR 55 -17.482 11.728 -8.244 408 HB THR 55 HB THR 55 -17.151 14.379 -6.824 409 HG1 THR 55 HG1 THR 55 -16.947 13.224 -5.029 410 HG21 THR 55 HG21 THR 55 -19.424 14.038 -6.040 411 HG22 THR 55 HG22 THR 55 -19.527 12.516 -6.926 412 HG23 THR 55 HG23 THR 55 -19.394 14.040 -7.803 413 H GLU 56 H GLU 56 -19.092 12.334 -9.635 414 HA GLU 56 HA GLU 56 -18.578 14.709 -11.302 415 HB2 GLU 56 HB2 GLU 56 -19.890 12.220 -12.366 416 HB3 GLU 56 HB3 GLU 56 -19.176 13.553 -13.263 417 HG2 GLU 56 HG2 GLU 56 -16.951 12.851 -12.348 418 HG3 GLU 56 HG3 GLU 56 -17.747 11.412 -11.714 Start of MODEL 3 1 H MET 1 H MET 1 0.943 1.032 -0.077 2 HA MET 1 HA MET 1 3.017 1.149 -1.600 3 HB2 MET 1 HB2 MET 1 3.609 -1.198 -0.923 4 HB3 MET 1 HB3 MET 1 2.252 -1.759 -1.890 5 HG2 MET 1 HG2 MET 1 3.312 -1.393 -3.850 6 HG3 MET 1 HG3 MET 1 4.193 0.005 -3.240 7 HE1 MET 1 HE1 MET 1 7.578 -1.214 -3.006 8 HE2 MET 1 HE2 MET 1 6.665 -1.005 -4.501 9 HE3 MET 1 HE3 MET 1 6.392 0.085 -3.140 10 H GLN 2 H GLN 2 -0.043 -0.626 -1.748 11 HA GLN 2 HA GLN 2 -0.581 0.647 -4.347 12 HB2 GLN 2 HB2 GLN 2 -2.212 -1.165 -4.724 13 HB3 GLN 2 HB3 GLN 2 -0.580 -1.776 -4.491 14 HG2 GLN 2 HG2 GLN 2 -1.915 -3.223 -3.259 15 HG3 GLN 2 HG3 GLN 2 -1.245 -2.124 -2.054 16 HE21 GLN 2 HE21 GLN 2 -3.966 -1.891 -4.319 17 HE22 GLN 2 HE22 GLN 2 -5.153 -1.516 -3.121 18 H TYR 3 H TYR 3 -2.587 1.619 -4.713 19 HA TYR 3 HA TYR 3 -4.244 2.065 -2.321 20 HB2 TYR 3 HB2 TYR 3 -4.438 4.380 -2.784 21 HB3 TYR 3 HB3 TYR 3 -2.723 4.014 -2.932 22 HD1 TYR 3 HD1 TYR 3 -1.991 3.334 -5.411 23 HD2 TYR 3 HD2 TYR 3 -5.396 5.686 -4.423 24 HE1 TYR 3 HE1 TYR 3 -1.979 4.291 -7.676 25 HE2 TYR 3 HE2 TYR 3 -5.394 6.650 -6.686 26 HH TYR 3 HH TYR 3 -3.495 5.376 -9.225 27 H LYS 4 H LYS 4 -6.459 2.702 -2.776 28 HA LYS 4 HA LYS 4 -7.397 1.661 -5.370 29 HB2 LYS 4 HB2 LYS 4 -9.320 0.770 -4.314 30 HB3 LYS 4 HB3 LYS 4 -7.963 0.314 -3.293 31 HG2 LYS 4 HG2 LYS 4 -8.677 2.649 -2.143 32 HG3 LYS 4 HG3 LYS 4 -10.240 2.084 -2.737 33 HD2 LYS 4 HD2 LYS 4 -9.526 -0.177 -1.659 34 HD3 LYS 4 HD3 LYS 4 -8.400 0.826 -0.742 35 HE2 LYS 4 HE2 LYS 4 -10.510 2.278 -0.270 36 HE3 LYS 4 HE3 LYS 4 -11.391 0.818 -0.718 37 HZ1 LYS 4 HZ1 LYS 4 -10.368 1.399 1.748 38 HZ2 LYS 4 HZ2 LYS 4 -9.277 0.271 1.119 39 HZ3 LYS 4 HZ3 LYS 4 -10.921 -0.113 1.228 40 H LEU 5 H LEU 5 -8.749 2.887 -6.566 41 HA LEU 5 HA LEU 5 -9.324 5.579 -5.571 42 HB2 LEU 5 HB2 LEU 5 -8.234 4.837 -7.894 43 HB3 LEU 5 HB3 LEU 5 -9.932 4.810 -8.366 44 HG LEU 5 HG LEU 5 -9.427 7.262 -7.016 45 HD11 LEU 5 HD11 LEU 5 -7.527 8.115 -7.851 46 HD12 LEU 5 HD12 LEU 5 -7.717 7.298 -9.401 47 HD13 LEU 5 HD13 LEU 5 -7.054 6.425 -8.020 48 HD21 LEU 5 HD21 LEU 5 -10.383 6.290 -9.629 49 HD22 LEU 5 HD22 LEU 5 -9.766 7.942 -9.599 50 HD23 LEU 5 HD23 LEU 5 -11.087 7.474 -8.528 51 H ILE 6 H ILE 6 -11.336 6.306 -5.201 52 HA ILE 6 HA ILE 6 -13.547 4.420 -5.632 53 HB ILE 6 HB ILE 6 -13.396 6.805 -3.785 54 HG12 ILE 6 HG12 ILE 6 -13.804 4.412 -2.360 55 HG13 ILE 6 HG13 ILE 6 -12.525 4.067 -3.519 56 HG21 ILE 6 HG21 ILE 6 -15.659 6.517 -4.464 57 HG22 ILE 6 HG22 ILE 6 -15.562 4.769 -4.256 58 HG23 ILE 6 HG23 ILE 6 -15.507 5.829 -2.847 59 HD11 ILE 6 HD11 ILE 6 -12.486 5.705 -1.112 60 HD12 ILE 6 HD12 ILE 6 -11.165 4.918 -1.977 61 HD13 ILE 6 HD13 ILE 6 -11.760 6.488 -2.515 62 H LEU 7 H LEU 7 -14.948 4.817 -7.202 63 HA LEU 7 HA LEU 7 -15.030 7.489 -8.395 64 HB2 LEU 7 HB2 LEU 7 -16.412 5.062 -9.480 65 HB3 LEU 7 HB3 LEU 7 -15.877 6.505 -10.339 66 HG LEU 7 HG LEU 7 -13.976 4.493 -9.151 67 HD11 LEU 7 HD11 LEU 7 -14.179 3.153 -10.918 68 HD12 LEU 7 HD12 LEU 7 -14.230 4.507 -12.046 69 HD13 LEU 7 HD13 LEU 7 -15.704 3.982 -11.233 70 HD21 LEU 7 HD21 LEU 7 -12.588 5.603 -11.078 71 HD22 LEU 7 HD22 LEU 7 -12.735 6.390 -9.507 72 HD23 LEU 7 HD23 LEU 7 -13.735 6.925 -10.858 73 H ASN 8 H ASN 8 -16.579 8.831 -7.781 74 HA ASN 8 HA ASN 8 -19.138 7.702 -6.855 75 HB2 ASN 8 HB2 ASN 8 -17.579 9.135 -5.297 76 HB3 ASN 8 HB3 ASN 8 -18.278 10.490 -6.179 77 HD21 ASN 8 HD21 ASN 8 -20.775 10.194 -6.429 78 HD22 ASN 8 HD22 ASN 8 -21.600 9.836 -4.954 79 H GLY 9 H GLY 9 -19.512 7.666 -9.284 80 HA2 GLY 9 HA2 GLY 9 -19.950 10.184 -10.598 81 HA3 GLY 9 HA3 GLY 9 -20.381 8.595 -11.214 82 H LYS 10 H LYS 10 -22.109 10.582 -11.693 83 HA LYS 10 HA LYS 10 -24.120 10.742 -9.630 84 HB2 LYS 10 HB2 LYS 10 -24.383 11.618 -12.505 85 HB3 LYS 10 HB3 LYS 10 -25.311 12.181 -11.122 86 HG2 LYS 10 HG2 LYS 10 -22.354 12.623 -11.455 87 HG3 LYS 10 HG3 LYS 10 -23.594 13.784 -11.934 88 HD2 LYS 10 HD2 LYS 10 -23.230 14.585 -9.848 89 HD3 LYS 10 HD3 LYS 10 -24.372 13.313 -9.408 90 HE2 LYS 10 HE2 LYS 10 -22.656 11.873 -8.698 91 HE3 LYS 10 HE3 LYS 10 -21.411 12.819 -9.512 92 HZ1 LYS 10 HZ1 LYS 10 -21.744 13.011 -6.955 93 HZ2 LYS 10 HZ2 LYS 10 -22.991 14.073 -7.377 94 HZ3 LYS 10 HZ3 LYS 10 -21.404 14.394 -7.869 95 H THR 11 H THR 11 -23.746 9.145 -12.765 96 HA THR 11 HA THR 11 -26.139 7.537 -12.147 97 HB THR 11 HB THR 11 -26.598 7.294 -14.469 98 HG1 THR 11 HG1 THR 11 -25.176 7.981 -16.059 99 HG21 THR 11 HG21 THR 11 -26.706 9.729 -13.212 100 HG22 THR 11 HG22 THR 11 -27.456 9.349 -14.762 101 HG23 THR 11 HG23 THR 11 -25.869 10.116 -14.714 102 H LEU 12 H LEU 12 -22.904 7.393 -12.066 103 HA LEU 12 HA LEU 12 -22.907 4.498 -12.458 104 HB2 LEU 12 HB2 LEU 12 -20.594 6.076 -13.501 105 HB3 LEU 12 HB3 LEU 12 -21.086 4.429 -13.890 106 HG LEU 12 HG LEU 12 -23.178 5.741 -14.913 107 HD11 LEU 12 HD11 LEU 12 -20.914 7.648 -15.427 108 HD12 LEU 12 HD12 LEU 12 -22.125 7.922 -14.176 109 HD13 LEU 12 HD13 LEU 12 -22.613 7.819 -15.867 110 HD21 LEU 12 HD21 LEU 12 -21.603 4.144 -16.021 111 HD22 LEU 12 HD22 LEU 12 -20.552 5.516 -16.372 112 HD23 LEU 12 HD23 LEU 12 -22.176 5.451 -17.058 113 H LYS 13 H LYS 13 -21.558 3.392 -11.094 114 HA LYS 13 HA LYS 13 -19.712 4.911 -9.410 115 HB2 LYS 13 HB2 LYS 13 -21.871 3.094 -8.325 116 HB3 LYS 13 HB3 LYS 13 -20.581 3.815 -7.372 117 HG2 LYS 13 HG2 LYS 13 -22.496 5.501 -8.945 118 HG3 LYS 13 HG3 LYS 13 -22.878 4.928 -7.320 119 HD2 LYS 13 HD2 LYS 13 -20.220 6.069 -7.453 120 HD3 LYS 13 HD3 LYS 13 -21.449 7.218 -7.989 121 HE2 LYS 13 HE2 LYS 13 -21.494 5.683 -5.392 122 HE3 LYS 13 HE3 LYS 13 -21.021 7.371 -5.574 123 HZ1 LYS 13 HZ1 LYS 13 -23.679 6.163 -5.685 124 HZ2 LYS 13 HZ2 LYS 13 -23.387 7.489 -6.694 125 HZ3 LYS 13 HZ3 LYS 13 -23.190 7.641 -5.021 126 H GLY 14 H GLY 14 -18.047 3.667 -8.474 127 HA2 GLY 14 HA2 GLY 14 -17.868 0.867 -8.578 128 HA3 GLY 14 HA3 GLY 14 -17.125 1.519 -10.031 129 H GLU 15 H GLU 15 -15.439 0.147 -8.613 130 HA GLU 15 HA GLU 15 -13.663 2.163 -7.499 131 HB2 GLU 15 HB2 GLU 15 -15.121 1.007 -5.662 132 HB3 GLU 15 HB3 GLU 15 -14.036 -0.353 -5.914 133 HG2 GLU 15 HG2 GLU 15 -12.128 1.029 -5.346 134 HG3 GLU 15 HG3 GLU 15 -13.179 2.432 -5.159 135 H THR 16 H THR 16 -11.469 1.563 -7.516 136 HA THR 16 HA THR 16 -10.772 -1.037 -8.643 137 HB THR 16 HB THR 16 -9.210 0.969 -9.995 138 HG1 THR 16 HG1 THR 16 -11.159 1.566 -11.357 139 HG21 THR 16 HG21 THR 16 -9.479 -1.390 -10.672 140 HG22 THR 16 HG22 THR 16 -9.898 -0.271 -11.970 141 HG23 THR 16 HG23 THR 16 -11.171 -1.072 -11.049 142 H THR 17 H THR 17 -8.407 -1.409 -8.634 143 HA THR 17 HA THR 17 -6.959 0.267 -6.708 144 HB THR 17 HB THR 17 -6.200 -1.587 -5.417 145 HG1 THR 17 HG1 THR 17 -6.121 -3.519 -6.261 146 HG21 THR 17 HG21 THR 17 -8.088 -1.844 -4.222 147 HG22 THR 17 HG22 THR 17 -8.964 -2.547 -5.582 148 HG23 THR 17 HG23 THR 17 -8.817 -0.796 -5.437 149 H THR 18 H THR 18 -4.716 0.271 -6.930 150 HA THR 18 HA THR 18 -3.552 -1.315 -9.095 151 HB THR 18 HB THR 18 -4.115 0.690 -10.266 152 HG1 THR 18 HG1 THR 18 -1.927 -0.144 -10.523 153 HG21 THR 18 HG21 THR 18 -4.535 2.449 -8.906 154 HG22 THR 18 HG22 THR 18 -2.843 2.834 -9.222 155 HG23 THR 18 HG23 THR 18 -3.293 1.982 -7.745 156 H GLU 19 H GLU 19 -1.363 -1.719 -8.880 157 HA GLU 19 HA GLU 19 -0.219 -0.963 -6.281 158 HB2 GLU 19 HB2 GLU 19 1.335 -2.901 -6.701 159 HB3 GLU 19 HB3 GLU 19 -0.357 -3.330 -6.495 160 HG2 GLU 19 HG2 GLU 19 -0.610 -3.537 -8.908 161 HG3 GLU 19 HG3 GLU 19 1.078 -3.082 -9.129 162 H ALA 20 H ALA 20 1.372 0.470 -6.235 163 HA ALA 20 HA ALA 20 3.184 0.677 -8.534 164 HB1 ALA 20 HB1 ALA 20 2.853 3.292 -7.535 165 HB2 ALA 20 HB2 ALA 20 2.392 2.664 -9.118 166 HB3 ALA 20 HB3 ALA 20 1.238 2.628 -7.785 167 H VAL 21 H VAL 21 5.274 1.411 -8.052 168 HA VAL 21 HA VAL 21 6.121 0.870 -5.350 169 HB VAL 21 HB VAL 21 7.456 0.105 -7.277 170 HG11 VAL 21 HG11 VAL 21 8.606 2.767 -7.777 171 HG12 VAL 21 HG12 VAL 21 8.262 1.447 -8.897 172 HG13 VAL 21 HG13 VAL 21 6.965 2.524 -8.377 173 HG21 VAL 21 HG21 VAL 21 9.357 1.973 -6.077 174 HG22 VAL 21 HG22 VAL 21 8.357 1.120 -4.902 175 HG23 VAL 21 HG23 VAL 21 9.333 0.210 -6.056 176 H ASP 22 H ASP 22 5.420 3.654 -7.265 177 HA ASP 22 HA ASP 22 6.361 5.372 -5.066 178 HB2 ASP 22 HB2 ASP 22 7.204 5.401 -7.798 179 HB3 ASP 22 HB3 ASP 22 6.318 6.888 -7.469 180 H ALA 23 H ALA 23 5.113 7.223 -4.625 181 HA ALA 23 HA ALA 23 2.320 6.885 -4.992 182 HB1 ALA 23 HB1 ALA 23 4.016 9.033 -3.776 183 HB2 ALA 23 HB2 ALA 23 2.276 9.251 -3.968 184 HB3 ALA 23 HB3 ALA 23 2.896 7.919 -2.992 185 H ALA 24 H ALA 24 4.717 9.050 -6.432 186 HA ALA 24 HA ALA 24 2.900 10.636 -7.901 187 HB1 ALA 24 HB1 ALA 24 5.050 10.978 -9.361 188 HB2 ALA 24 HB2 ALA 24 4.960 11.633 -7.725 189 HB3 ALA 24 HB3 ALA 24 5.835 10.132 -8.028 190 H THR 25 H THR 25 4.530 7.599 -8.599 191 HA THR 25 HA THR 25 3.731 7.531 -11.354 192 HB THR 25 HB THR 25 4.691 5.230 -9.645 193 HG1 THR 25 HG1 THR 25 6.744 5.813 -10.273 194 HG21 THR 25 HG21 THR 25 3.658 4.540 -11.747 195 HG22 THR 25 HG22 THR 25 5.402 4.277 -11.797 196 HG23 THR 25 HG23 THR 25 4.693 5.657 -12.635 197 H ALA 26 H ALA 26 2.463 6.321 -8.323 198 HA ALA 26 HA ALA 26 0.571 4.514 -9.401 199 HB1 ALA 26 HB1 ALA 26 -0.096 5.847 -6.856 200 HB2 ALA 26 HB2 ALA 26 -0.035 4.131 -7.260 201 HB3 ALA 26 HB3 ALA 26 1.455 5.009 -6.912 202 H GLU 27 H GLU 27 0.323 7.908 -8.380 203 HA GLU 27 HA GLU 27 -2.438 8.167 -8.963 204 HB2 GLU 27 HB2 GLU 27 -2.112 10.537 -8.674 205 HB3 GLU 27 HB3 GLU 27 -1.171 9.687 -7.456 206 HG2 GLU 27 HG2 GLU 27 0.849 10.006 -8.789 207 HG3 GLU 27 HG3 GLU 27 -0.093 10.860 -10.009 208 H LYS 28 H LYS 28 0.493 8.687 -10.835 209 HA LYS 28 HA LYS 28 -0.631 10.028 -13.024 210 HB2 LYS 28 HB2 LYS 28 1.858 8.568 -12.457 211 HB3 LYS 28 HB3 LYS 28 1.389 8.566 -14.152 212 HG2 LYS 28 HG2 LYS 28 1.095 11.125 -13.797 213 HG3 LYS 28 HG3 LYS 28 2.137 10.859 -12.397 214 HD2 LYS 28 HD2 LYS 28 3.900 10.937 -13.749 215 HD3 LYS 28 HD3 LYS 28 3.317 9.471 -14.541 216 HE2 LYS 28 HE2 LYS 28 3.271 10.765 -16.378 217 HE3 LYS 28 HE3 LYS 28 1.748 11.348 -15.708 218 HZ1 LYS 28 HZ1 LYS 28 3.721 12.960 -16.402 219 HZ2 LYS 28 HZ2 LYS 28 4.172 12.681 -14.796 220 HZ3 LYS 28 HZ3 LYS 28 2.647 13.326 -15.146 221 H VAL 29 H VAL 29 -0.343 6.588 -12.297 222 HA VAL 29 HA VAL 29 -1.117 5.546 -14.768 223 HB VAL 29 HB VAL 29 -1.669 4.415 -12.021 224 HG11 VAL 29 HG11 VAL 29 -3.067 3.232 -13.478 225 HG12 VAL 29 HG12 VAL 29 -1.870 3.238 -14.775 226 HG13 VAL 29 HG13 VAL 29 -1.622 2.230 -13.349 227 HG21 VAL 29 HG21 VAL 29 0.473 3.262 -13.647 228 HG22 VAL 29 HG22 VAL 29 0.767 4.927 -13.145 229 HG23 VAL 29 HG23 VAL 29 0.450 3.684 -11.935 230 H PHE 30 H PHE 30 -3.118 6.340 -11.933 231 HA PHE 30 HA PHE 30 -5.573 5.695 -13.231 232 HB2 PHE 30 HB2 PHE 30 -4.743 6.360 -10.610 233 HB3 PHE 30 HB3 PHE 30 -5.959 7.547 -11.070 234 HD1 PHE 30 HD1 PHE 30 -5.386 4.281 -9.830 235 HD2 PHE 30 HD2 PHE 30 -8.161 6.627 -12.047 236 HE1 PHE 30 HE1 PHE 30 -7.158 2.647 -9.335 237 HE2 PHE 30 HE2 PHE 30 -9.937 4.997 -11.555 238 HZ PHE 30 HZ PHE 30 -9.437 3.005 -10.197 239 H LYS 31 H LYS 31 -3.786 8.683 -12.653 240 HA LYS 31 HA LYS 31 -5.670 10.549 -13.450 241 HB2 LYS 31 HB2 LYS 31 -2.790 10.464 -13.111 242 HB3 LYS 31 HB3 LYS 31 -3.244 11.502 -14.456 243 HG2 LYS 31 HG2 LYS 31 -4.336 11.724 -11.659 244 HG3 LYS 31 HG3 LYS 31 -3.044 12.720 -12.332 245 HD2 LYS 31 HD2 LYS 31 -5.720 12.533 -13.676 246 HD3 LYS 31 HD3 LYS 31 -5.447 13.653 -12.339 247 HE2 LYS 31 HE2 LYS 31 -3.291 13.879 -14.195 248 HE3 LYS 31 HE3 LYS 31 -4.815 13.994 -15.075 249 HZ1 LYS 31 HZ1 LYS 31 -3.611 16.024 -13.750 250 HZ2 LYS 31 HZ2 LYS 31 -4.786 15.521 -12.642 251 HZ3 LYS 31 HZ3 LYS 31 -5.240 15.986 -14.204 252 H GLN 32 H GLN 32 -3.395 8.697 -15.440 253 HA GLN 32 HA GLN 32 -4.195 9.909 -17.894 254 HB2 GLN 32 HB2 GLN 32 -2.008 8.941 -17.770 255 HB3 GLN 32 HB3 GLN 32 -2.661 7.385 -17.275 256 HG2 GLN 32 HG2 GLN 32 -3.821 8.134 -19.771 257 HG3 GLN 32 HG3 GLN 32 -2.067 8.280 -19.873 258 HE21 GLN 32 HE21 GLN 32 -4.075 6.033 -18.024 259 HE22 GLN 32 HE22 GLN 32 -3.453 4.597 -18.755 260 H TYR 33 H TYR 33 -4.930 6.803 -16.336 261 HA TYR 33 HA TYR 33 -6.549 5.728 -18.332 262 HB2 TYR 33 HB2 TYR 33 -5.677 4.585 -16.231 263 HB3 TYR 33 HB3 TYR 33 -7.022 5.333 -15.377 264 HD1 TYR 33 HD1 TYR 33 -6.351 3.221 -18.385 265 HD2 TYR 33 HD2 TYR 33 -9.009 4.163 -15.200 266 HE1 TYR 33 HE1 TYR 33 -7.806 1.355 -19.056 267 HE2 TYR 33 HE2 TYR 33 -10.471 2.300 -15.861 268 HH TYR 33 HH TYR 33 -10.946 0.988 -17.959 269 H ALA 34 H ALA 34 -7.345 7.920 -15.681 270 HA ALA 34 HA ALA 34 -10.156 7.914 -16.169 271 HB1 ALA 34 HB1 ALA 34 -10.275 9.693 -14.568 272 HB2 ALA 34 HB2 ALA 34 -9.110 8.502 -13.989 273 HB3 ALA 34 HB3 ALA 34 -8.546 10.006 -14.716 274 H ASN 35 H ASN 35 -7.491 10.066 -17.075 275 HA ASN 35 HA ASN 35 -9.057 12.052 -18.311 276 HB2 ASN 35 HB2 ASN 35 -6.851 12.684 -17.826 277 HB3 ASN 35 HB3 ASN 35 -6.175 11.229 -18.553 278 HD21 ASN 35 HD21 ASN 35 -5.348 11.418 -20.505 279 HD22 ASN 35 HD22 ASN 35 -5.665 12.697 -21.622 280 H ASP 36 H ASP 36 -7.415 9.196 -19.634 281 HA ASP 36 HA ASP 36 -8.112 9.627 -22.325 282 HB2 ASP 36 HB2 ASP 36 -6.450 7.919 -21.183 283 HB3 ASP 36 HB3 ASP 36 -7.846 6.848 -21.259 284 H ASN 37 H ASN 37 -9.858 8.244 -19.645 285 HA ASN 37 HA ASN 37 -11.923 7.092 -21.298 286 HB2 ASN 37 HB2 ASN 37 -11.330 6.061 -19.148 287 HB3 ASN 37 HB3 ASN 37 -11.821 7.527 -18.305 288 HD21 ASN 37 HD21 ASN 37 -13.250 5.567 -20.896 289 HD22 ASN 37 HD22 ASN 37 -14.777 5.348 -20.118 290 H GLY 38 H GLY 38 -11.175 10.188 -20.336 291 HA2 GLY 38 HA2 GLY 38 -12.358 12.135 -20.808 292 HA3 GLY 38 HA3 GLY 38 -13.773 11.156 -21.165 293 H VAL 39 H VAL 39 -12.112 10.637 -18.180 294 HA VAL 39 HA VAL 39 -14.418 11.162 -16.633 295 HB VAL 39 HB VAL 39 -11.547 10.910 -15.727 296 HG11 VAL 39 HG11 VAL 39 -12.930 11.999 -14.047 297 HG12 VAL 39 HG12 VAL 39 -14.117 10.698 -14.161 298 HG13 VAL 39 HG13 VAL 39 -12.501 10.366 -13.536 299 HG21 VAL 39 HG21 VAL 39 -12.528 8.971 -17.000 300 HG22 VAL 39 HG22 VAL 39 -11.978 8.603 -15.366 301 HG23 VAL 39 HG23 VAL 39 -13.699 8.805 -15.692 302 H ASP 40 H ASP 40 -15.232 13.057 -16.061 303 HA ASP 40 HA ASP 40 -13.390 15.310 -15.613 304 HB2 ASP 40 HB2 ASP 40 -14.746 15.434 -17.773 305 HB3 ASP 40 HB3 ASP 40 -16.165 15.632 -16.748 306 H GLY 41 H GLY 41 -13.870 16.690 -13.917 307 HA2 GLY 41 HA2 GLY 41 -16.000 17.231 -12.460 308 HA3 GLY 41 HA3 GLY 41 -15.718 15.575 -11.944 309 H GLU 42 H GLU 42 -15.102 15.873 -9.868 310 HA GLU 42 HA GLU 42 -12.788 17.636 -9.397 311 HB2 GLU 42 HB2 GLU 42 -15.045 18.108 -8.232 312 HB3 GLU 42 HB3 GLU 42 -14.668 16.703 -7.244 313 HG2 GLU 42 HG2 GLU 42 -13.851 18.393 -5.942 314 HG3 GLU 42 HG3 GLU 42 -12.409 17.939 -6.848 315 H TRP 43 H TRP 43 -11.094 16.894 -8.103 316 HA TRP 43 HA TRP 43 -11.038 13.972 -7.720 317 HB2 TRP 43 HB2 TRP 43 -8.929 15.912 -8.610 318 HB3 TRP 43 HB3 TRP 43 -8.463 14.409 -7.819 319 HD1 TRP 43 HD1 TRP 43 -10.112 15.710 -11.030 320 HE1 TRP 43 HE1 TRP 43 -10.035 13.843 -12.800 321 HE3 TRP 43 HE3 TRP 43 -8.331 11.903 -8.119 322 HZ2 TRP 43 HZ2 TRP 43 -9.315 11.118 -12.944 323 HZ3 TRP 43 HZ3 TRP 43 -7.977 9.697 -9.149 324 HH2 TRP 43 HH2 TRP 43 -8.460 9.314 -11.512 325 H THR 44 H THR 44 -10.459 13.160 -5.772 326 HA THR 44 HA THR 44 -9.831 15.112 -3.653 327 HB THR 44 HB THR 44 -10.964 12.469 -2.910 328 HG1 THR 44 HG1 THR 44 -12.187 13.531 -4.782 329 HG21 THR 44 HG21 THR 44 -10.384 14.083 -1.191 330 HG22 THR 44 HG22 THR 44 -12.133 13.863 -1.239 331 HG23 THR 44 HG23 THR 44 -11.404 15.300 -1.956 332 H TYR 45 H TYR 45 -8.230 14.636 -2.176 333 HA TYR 45 HA TYR 45 -6.748 12.130 -2.525 334 HB2 TYR 45 HB2 TYR 45 -4.604 13.399 -2.449 335 HB3 TYR 45 HB3 TYR 45 -5.551 13.714 -3.899 336 HD1 TYR 45 HD1 TYR 45 -6.912 15.851 -4.007 337 HD2 TYR 45 HD2 TYR 45 -3.959 15.155 -1.024 338 HE1 TYR 45 HE1 TYR 45 -6.808 18.266 -3.555 339 HE2 TYR 45 HE2 TYR 45 -3.848 17.568 -0.563 340 HH TYR 45 HH TYR 45 -6.104 19.819 -1.993 341 H ASP 46 H ASP 46 -6.735 11.184 -0.606 342 HA ASP 46 HA ASP 46 -6.527 12.869 1.802 343 HB2 ASP 46 HB2 ASP 46 -7.624 10.058 1.584 344 HB3 ASP 46 HB3 ASP 46 -7.622 11.071 3.025 345 H ASP 47 H ASP 47 -4.371 12.985 2.168 346 HA ASP 47 HA ASP 47 -2.533 10.888 1.740 347 HB2 ASP 47 HB2 ASP 47 -2.417 13.432 3.348 348 HB3 ASP 47 HB3 ASP 47 -1.069 12.298 3.316 349 H ALA 48 H ALA 48 -4.851 11.355 4.155 350 HA ALA 48 HA ALA 48 -3.509 10.123 6.345 351 HB1 ALA 48 HB1 ALA 48 -6.343 9.782 6.521 352 HB2 ALA 48 HB2 ALA 48 -5.290 10.853 7.446 353 HB3 ALA 48 HB3 ALA 48 -5.980 11.400 5.918 354 H THR 49 H THR 49 -5.800 8.949 3.901 355 HA THR 49 HA THR 49 -5.200 6.195 4.758 356 HB THR 49 HB THR 49 -7.301 5.571 3.535 357 HG1 THR 49 HG1 THR 49 -8.017 8.300 3.634 358 HG21 THR 49 HG21 THR 49 -7.630 7.576 5.771 359 HG22 THR 49 HG22 THR 49 -7.277 5.860 5.971 360 HG23 THR 49 HG23 THR 49 -8.817 6.369 5.280 361 H LYS 50 H LYS 50 -4.141 8.317 2.599 362 HA LYS 50 HA LYS 50 -3.237 8.252 0.505 363 HB2 LYS 50 HB2 LYS 50 -2.835 5.308 0.993 364 HB3 LYS 50 HB3 LYS 50 -1.816 6.409 0.076 365 HG2 LYS 50 HG2 LYS 50 -2.212 6.481 3.061 366 HG3 LYS 50 HG3 LYS 50 -0.821 5.786 2.225 367 HD2 LYS 50 HD2 LYS 50 -0.378 8.018 1.226 368 HD3 LYS 50 HD3 LYS 50 -1.690 8.676 2.205 369 HE2 LYS 50 HE2 LYS 50 0.478 9.077 3.251 370 HE3 LYS 50 HE3 LYS 50 -0.517 8.007 4.238 371 HZ1 LYS 50 HZ1 LYS 50 1.191 6.639 2.358 372 HZ2 LYS 50 HZ2 LYS 50 0.920 6.330 3.999 373 HZ3 LYS 50 HZ3 LYS 50 2.032 7.517 3.535 374 H THR 51 H THR 51 -5.977 8.100 0.399 375 HA THR 51 HA THR 51 -6.402 6.269 -1.870 376 HB THR 51 HB THR 51 -7.644 5.552 0.186 377 HG1 THR 51 HG1 THR 51 -8.395 5.159 -2.018 378 HG21 THR 51 HG21 THR 51 -9.258 6.840 1.197 379 HG22 THR 51 HG22 THR 51 -9.545 7.808 -0.249 380 HG23 THR 51 HG23 THR 51 -8.105 8.090 0.731 381 H PHE 52 H PHE 52 -7.399 7.092 -3.651 382 HA PHE 52 HA PHE 52 -7.918 9.984 -3.620 383 HB2 PHE 52 HB2 PHE 52 -7.136 8.083 -5.824 384 HB3 PHE 52 HB3 PHE 52 -7.750 9.698 -6.161 385 HD1 PHE 52 HD1 PHE 52 -6.267 11.454 -6.318 386 HD2 PHE 52 HD2 PHE 52 -5.126 7.962 -4.169 387 HE1 PHE 52 HE1 PHE 52 -4.003 12.374 -6.032 388 HE2 PHE 52 HE2 PHE 52 -2.861 8.876 -3.879 389 HZ PHE 52 HZ PHE 52 -2.297 11.085 -4.810 390 H THR 53 H THR 53 -9.679 10.775 -5.011 391 HA THR 53 HA THR 53 -11.830 8.872 -5.526 392 HB THR 53 HB THR 53 -12.471 11.363 -3.968 393 HG1 THR 53 HG1 THR 53 -12.082 8.783 -2.829 394 HG21 THR 53 HG21 THR 53 -14.317 10.270 -5.118 395 HG22 THR 53 HG22 THR 53 -14.482 10.065 -3.374 396 HG23 THR 53 HG23 THR 53 -13.898 8.731 -4.367 397 H VAL 54 H VAL 54 -13.492 9.702 -6.907 398 HA VAL 54 HA VAL 54 -13.023 12.305 -8.139 399 HB VAL 54 HB VAL 54 -11.686 10.859 -9.534 400 HG11 VAL 54 HG11 VAL 54 -12.482 8.881 -10.578 401 HG12 VAL 54 HG12 VAL 54 -12.910 8.759 -8.870 402 HG13 VAL 54 HG13 VAL 54 -14.138 9.193 -10.059 403 HG21 VAL 54 HG21 VAL 54 -13.942 11.005 -11.367 404 HG22 VAL 54 HG22 VAL 54 -13.720 12.485 -10.434 405 HG23 VAL 54 HG23 VAL 54 -12.394 11.850 -11.408 406 H THR 55 H THR 55 -14.909 13.310 -8.249 407 HA THR 55 HA THR 55 -17.360 11.693 -8.495 408 HB THR 55 HB THR 55 -17.014 14.439 -7.276 409 HG1 THR 55 HG1 THR 55 -17.532 13.312 -5.343 410 HG21 THR 55 HG21 THR 55 -19.180 14.660 -7.867 411 HG22 THR 55 HG22 THR 55 -19.473 13.572 -6.511 412 HG23 THR 55 HG23 THR 55 -19.382 12.932 -8.151 413 H GLU 56 H GLU 56 -18.873 12.197 -10.028 414 HA GLU 56 HA GLU 56 -18.178 14.366 -11.899 415 HB2 GLU 56 HB2 GLU 56 -19.601 11.851 -12.733 416 HB3 GLU 56 HB3 GLU 56 -18.791 13.037 -13.746 417 HG2 GLU 56 HG2 GLU 56 -16.633 12.328 -12.698 418 HG3 GLU 56 HG3 GLU 56 -17.520 11.019 -11.919 Start of MODEL 4 1 H MET 1 H MET 1 1.403 0.881 0.369 2 HA MET 1 HA MET 1 2.656 1.540 -1.427 3 HB2 MET 1 HB2 MET 1 3.771 -0.057 -2.822 4 HB3 MET 1 HB3 MET 1 3.828 -0.658 -1.170 5 HG2 MET 1 HG2 MET 1 1.702 -1.975 -1.842 6 HG3 MET 1 HG3 MET 1 2.239 -1.656 -3.490 7 HE1 MET 1 HE1 MET 1 3.956 -2.811 -4.699 8 HE2 MET 1 HE2 MET 1 5.265 -2.060 -3.788 9 HE3 MET 1 HE3 MET 1 5.255 -3.806 -4.040 10 H GLN 2 H GLN 2 -0.087 -0.563 -1.841 11 HA GLN 2 HA GLN 2 -0.633 0.563 -4.490 12 HB2 GLN 2 HB2 GLN 2 -2.302 -1.187 -4.719 13 HB3 GLN 2 HB3 GLN 2 -0.762 -1.886 -4.239 14 HG2 GLN 2 HG2 GLN 2 -1.765 -2.887 -2.548 15 HG3 GLN 2 HG3 GLN 2 -2.166 -1.311 -1.869 16 HE21 GLN 2 HE21 GLN 2 -4.172 -0.320 -2.572 17 HE22 GLN 2 HE22 GLN 2 -5.512 -1.330 -2.985 18 H TYR 3 H TYR 3 -2.338 1.874 -4.903 19 HA TYR 3 HA TYR 3 -3.937 2.719 -2.581 20 HB2 TYR 3 HB2 TYR 3 -3.500 4.312 -5.105 21 HB3 TYR 3 HB3 TYR 3 -4.121 4.883 -3.560 22 HD1 TYR 3 HD1 TYR 3 -2.527 4.886 -1.566 23 HD2 TYR 3 HD2 TYR 3 -1.210 4.421 -5.585 24 HE1 TYR 3 HE1 TYR 3 -0.254 5.541 -0.890 25 HE2 TYR 3 HE2 TYR 3 1.067 5.074 -4.920 26 HH TYR 3 HH TYR 3 2.280 4.949 -2.142 27 H LYS 4 H LYS 4 -6.160 3.386 -3.013 28 HA LYS 4 HA LYS 4 -7.352 1.913 -5.271 29 HB2 LYS 4 HB2 LYS 4 -7.878 0.698 -3.278 30 HB3 LYS 4 HB3 LYS 4 -8.327 2.170 -2.427 31 HG2 LYS 4 HG2 LYS 4 -10.358 2.332 -3.493 32 HG3 LYS 4 HG3 LYS 4 -9.822 1.387 -4.884 33 HD2 LYS 4 HD2 LYS 4 -11.217 -0.100 -3.786 34 HD3 LYS 4 HD3 LYS 4 -9.628 -0.552 -3.165 35 HE2 LYS 4 HE2 LYS 4 -10.314 1.320 -1.362 36 HE3 LYS 4 HE3 LYS 4 -11.915 0.724 -1.798 37 HZ1 LYS 4 HZ1 LYS 4 -9.728 -1.124 -1.068 38 HZ2 LYS 4 HZ2 LYS 4 -11.394 -1.413 -1.074 39 HZ3 LYS 4 HZ3 LYS 4 -10.714 -0.417 0.111 40 H LEU 5 H LEU 5 -8.653 3.043 -6.573 41 HA LEU 5 HA LEU 5 -9.260 5.811 -5.839 42 HB2 LEU 5 HB2 LEU 5 -8.288 4.692 -8.155 43 HB3 LEU 5 HB3 LEU 5 -9.992 4.946 -8.527 44 HG LEU 5 HG LEU 5 -8.429 7.206 -7.372 45 HD11 LEU 5 HD11 LEU 5 -7.831 5.885 -9.899 46 HD12 LEU 5 HD12 LEU 5 -6.912 7.095 -9.004 47 HD13 LEU 5 HD13 LEU 5 -8.217 7.597 -10.078 48 HD21 LEU 5 HD21 LEU 5 -10.786 6.846 -9.190 49 HD22 LEU 5 HD22 LEU 5 -9.928 8.384 -9.096 50 HD23 LEU 5 HD23 LEU 5 -10.688 7.708 -7.654 51 H ILE 6 H ILE 6 -11.270 6.508 -5.450 52 HA ILE 6 HA ILE 6 -13.462 4.573 -5.749 53 HB ILE 6 HB ILE 6 -13.309 7.028 -3.996 54 HG12 ILE 6 HG12 ILE 6 -13.576 4.940 -2.301 55 HG13 ILE 6 HG13 ILE 6 -12.659 4.167 -3.589 56 HG21 ILE 6 HG21 ILE 6 -15.357 5.248 -3.196 57 HG22 ILE 6 HG22 ILE 6 -15.514 6.894 -3.808 58 HG23 ILE 6 HG23 ILE 6 -15.543 5.531 -4.927 59 HD11 ILE 6 HD11 ILE 6 -11.725 5.835 -1.508 60 HD12 ILE 6 HD12 ILE 6 -10.803 5.052 -2.792 61 HD13 ILE 6 HD13 ILE 6 -11.456 6.672 -3.037 62 H LEU 7 H LEU 7 -14.939 4.905 -7.266 63 HA LEU 7 HA LEU 7 -15.051 7.514 -8.588 64 HB2 LEU 7 HB2 LEU 7 -15.713 4.727 -9.366 65 HB3 LEU 7 HB3 LEU 7 -16.637 6.027 -10.117 66 HG LEU 7 HG LEU 7 -14.601 5.131 -11.372 67 HD11 LEU 7 HD11 LEU 7 -15.120 6.989 -12.477 68 HD12 LEU 7 HD12 LEU 7 -13.894 7.806 -11.509 69 HD13 LEU 7 HD13 LEU 7 -15.581 7.829 -10.996 70 HD21 LEU 7 HD21 LEU 7 -12.452 6.069 -10.748 71 HD22 LEU 7 HD22 LEU 7 -13.088 5.073 -9.438 72 HD23 LEU 7 HD23 LEU 7 -13.173 6.832 -9.330 73 H ASN 8 H ASN 8 -16.582 8.896 -8.021 74 HA ASN 8 HA ASN 8 -19.103 7.835 -6.926 75 HB2 ASN 8 HB2 ASN 8 -17.464 9.371 -5.536 76 HB3 ASN 8 HB3 ASN 8 -18.246 10.659 -6.448 77 HD21 ASN 8 HD21 ASN 8 -20.761 10.213 -6.557 78 HD22 ASN 8 HD22 ASN 8 -21.485 9.952 -5.010 79 H GLY 9 H GLY 9 -19.495 7.674 -9.376 80 HA2 GLY 9 HA2 GLY 9 -20.071 10.159 -10.728 81 HA3 GLY 9 HA3 GLY 9 -20.367 8.540 -11.344 82 H LYS 10 H LYS 10 -22.194 10.583 -11.709 83 HA LYS 10 HA LYS 10 -24.260 10.391 -9.702 84 HB2 LYS 10 HB2 LYS 10 -24.475 11.600 -12.460 85 HB3 LYS 10 HB3 LYS 10 -25.502 11.922 -11.069 86 HG2 LYS 10 HG2 LYS 10 -22.569 12.581 -11.171 87 HG3 LYS 10 HG3 LYS 10 -23.854 13.716 -11.591 88 HD2 LYS 10 HD2 LYS 10 -24.293 14.147 -9.444 89 HD3 LYS 10 HD3 LYS 10 -24.325 12.431 -9.031 90 HE2 LYS 10 HE2 LYS 10 -22.482 12.929 -7.842 91 HE3 LYS 10 HE3 LYS 10 -21.670 12.818 -9.403 92 HZ1 LYS 10 HZ1 LYS 10 -22.568 15.371 -9.356 93 HZ2 LYS 10 HZ2 LYS 10 -20.994 14.883 -8.972 94 HZ3 LYS 10 HZ3 LYS 10 -22.131 15.115 -7.741 95 H THR 11 H THR 11 -23.727 9.208 -12.994 96 HA THR 11 HA THR 11 -26.038 7.411 -12.640 97 HB THR 11 HB THR 11 -26.374 9.048 -14.460 98 HG1 THR 11 HG1 THR 11 -27.163 7.526 -15.830 99 HG21 THR 11 HG21 THR 11 -24.279 7.680 -16.087 100 HG22 THR 11 HG22 THR 11 -23.797 8.969 -14.984 101 HG23 THR 11 HG23 THR 11 -24.965 9.295 -16.264 102 H LEU 12 H LEU 12 -22.972 7.241 -12.153 103 HA LEU 12 HA LEU 12 -22.754 4.490 -12.986 104 HB2 LEU 12 HB2 LEU 12 -20.670 4.751 -14.200 105 HB3 LEU 12 HB3 LEU 12 -21.971 5.647 -14.981 106 HG LEU 12 HG LEU 12 -20.178 7.114 -13.113 107 HD11 LEU 12 HD11 LEU 12 -18.922 7.492 -15.488 108 HD12 LEU 12 HD12 LEU 12 -19.305 5.773 -15.570 109 HD13 LEU 12 HD13 LEU 12 -18.362 6.402 -14.219 110 HD21 LEU 12 HD21 LEU 12 -20.525 8.838 -14.947 111 HD22 LEU 12 HD22 LEU 12 -21.945 8.387 -14.003 112 HD23 LEU 12 HD23 LEU 12 -21.715 7.726 -15.622 113 H LYS 13 H LYS 13 -21.353 3.323 -11.725 114 HA LYS 13 HA LYS 13 -19.612 4.768 -9.869 115 HB2 LYS 13 HB2 LYS 13 -21.742 2.784 -9.062 116 HB3 LYS 13 HB3 LYS 13 -20.427 3.280 -8.005 117 HG2 LYS 13 HG2 LYS 13 -22.447 5.159 -9.208 118 HG3 LYS 13 HG3 LYS 13 -22.550 4.475 -7.584 119 HD2 LYS 13 HD2 LYS 13 -19.975 5.533 -7.762 120 HD3 LYS 13 HD3 LYS 13 -21.014 6.728 -8.541 121 HE2 LYS 13 HE2 LYS 13 -21.264 5.609 -5.755 122 HE3 LYS 13 HE3 LYS 13 -20.881 7.267 -6.216 123 HZ1 LYS 13 HZ1 LYS 13 -23.245 6.835 -7.447 124 HZ2 LYS 13 HZ2 LYS 13 -23.056 7.612 -5.957 125 HZ3 LYS 13 HZ3 LYS 13 -23.439 5.966 -6.009 126 H GLY 14 H GLY 14 -17.873 3.543 -9.052 127 HA2 GLY 14 HA2 GLY 14 -17.542 0.771 -9.573 128 HA3 GLY 14 HA3 GLY 14 -16.709 1.722 -10.794 129 H GLU 15 H GLU 15 -15.063 0.206 -9.504 130 HA GLU 15 HA GLU 15 -13.549 2.051 -7.846 131 HB2 GLU 15 HB2 GLU 15 -14.800 0.893 -6.153 132 HB3 GLU 15 HB3 GLU 15 -14.444 -0.666 -6.883 133 HG2 GLU 15 HG2 GLU 15 -12.070 0.875 -6.159 134 HG3 GLU 15 HG3 GLU 15 -13.098 0.445 -4.793 135 H THR 16 H THR 16 -11.421 1.914 -8.231 136 HA THR 16 HA THR 16 -10.386 -0.510 -9.540 137 HB THR 16 HB THR 16 -8.957 1.817 -10.453 138 HG1 THR 16 HG1 THR 16 -10.546 2.985 -11.351 139 HG21 THR 16 HG21 THR 16 -9.428 0.867 -12.639 140 HG22 THR 16 HG22 THR 16 -10.667 -0.177 -11.943 141 HG23 THR 16 HG23 THR 16 -8.974 -0.412 -11.514 142 H THR 17 H THR 17 -8.203 -0.990 -9.155 143 HA THR 17 HA THR 17 -6.783 0.682 -7.214 144 HB THR 17 HB THR 17 -6.291 -1.114 -5.728 145 HG1 THR 17 HG1 THR 17 -6.099 -2.970 -6.773 146 HG21 THR 17 HG21 THR 17 -8.646 -0.027 -5.715 147 HG22 THR 17 HG22 THR 17 -8.367 -1.471 -4.741 148 HG23 THR 17 HG23 THR 17 -9.194 -1.600 -6.293 149 H THR 18 H THR 18 -4.538 0.480 -7.255 150 HA THR 18 HA THR 18 -3.352 -1.387 -9.162 151 HB THR 18 HB THR 18 -3.840 0.713 -10.424 152 HG1 THR 18 HG1 THR 18 -1.076 0.136 -10.014 153 HG21 THR 18 HG21 THR 18 -2.986 2.764 -9.857 154 HG22 THR 18 HG22 THR 18 -1.625 2.074 -8.971 155 HG23 THR 18 HG23 THR 18 -3.233 2.088 -8.247 156 H GLU 19 H GLU 19 -1.216 -1.901 -8.741 157 HA GLU 19 HA GLU 19 -0.197 -0.924 -6.163 158 HB2 GLU 19 HB2 GLU 19 1.149 -2.980 -6.110 159 HB3 GLU 19 HB3 GLU 19 -0.568 -3.330 -6.259 160 HG2 GLU 19 HG2 GLU 19 -0.083 -4.623 -7.984 161 HG3 GLU 19 HG3 GLU 19 0.369 -3.173 -8.878 162 H ALA 20 H ALA 20 1.490 0.395 -6.156 163 HA ALA 20 HA ALA 20 3.483 0.199 -8.296 164 HB1 ALA 20 HB1 ALA 20 1.652 2.415 -7.872 165 HB2 ALA 20 HB2 ALA 20 3.343 2.916 -7.847 166 HB3 ALA 20 HB3 ALA 20 2.698 2.057 -9.246 167 H VAL 21 H VAL 21 5.549 1.079 -7.751 168 HA VAL 21 HA VAL 21 6.207 0.726 -4.978 169 HB VAL 21 HB VAL 21 8.022 1.685 -7.191 170 HG11 VAL 21 HG11 VAL 21 8.386 0.963 -4.373 171 HG12 VAL 21 HG12 VAL 21 9.531 0.204 -5.481 172 HG13 VAL 21 HG13 VAL 21 9.385 1.961 -5.429 173 HG21 VAL 21 HG21 VAL 21 7.144 -0.360 -7.973 174 HG22 VAL 21 HG22 VAL 21 8.709 -0.756 -7.264 175 HG23 VAL 21 HG23 VAL 21 7.226 -1.097 -6.372 176 H ASP 22 H ASP 22 5.380 3.378 -6.967 177 HA ASP 22 HA ASP 22 5.915 5.209 -4.757 178 HB2 ASP 22 HB2 ASP 22 7.490 5.141 -7.138 179 HB3 ASP 22 HB3 ASP 22 6.543 6.626 -7.143 180 H ALA 23 H ALA 23 4.603 7.068 -4.748 181 HA ALA 23 HA ALA 23 2.029 6.693 -5.917 182 HB1 ALA 23 HB1 ALA 23 2.671 7.829 -3.679 183 HB2 ALA 23 HB2 ALA 23 2.893 9.271 -4.670 184 HB3 ALA 23 HB3 ALA 23 1.322 8.472 -4.615 185 H ALA 24 H ALA 24 4.869 8.487 -6.790 186 HA ALA 24 HA ALA 24 3.731 10.413 -8.483 187 HB1 ALA 24 HB1 ALA 24 5.890 10.970 -8.232 188 HB2 ALA 24 HB2 ALA 24 6.404 9.295 -8.026 189 HB3 ALA 24 HB3 ALA 24 6.139 9.943 -9.645 190 H THR 25 H THR 25 4.775 7.090 -9.095 191 HA THR 25 HA THR 25 4.277 7.192 -11.906 192 HB THR 25 HB THR 25 4.512 4.762 -10.120 193 HG1 THR 25 HG1 THR 25 6.459 6.236 -11.590 194 HG21 THR 25 HG21 THR 25 5.330 3.774 -12.356 195 HG22 THR 25 HG22 THR 25 4.515 5.152 -13.096 196 HG23 THR 25 HG23 THR 25 3.596 3.998 -12.130 197 H ALA 26 H ALA 26 2.496 5.907 -9.118 198 HA ALA 26 HA ALA 26 0.341 4.824 -10.577 199 HB1 ALA 26 HB1 ALA 26 -0.853 4.812 -8.433 200 HB2 ALA 26 HB2 ALA 26 0.786 4.178 -8.279 201 HB3 ALA 26 HB3 ALA 26 0.418 5.813 -7.729 202 H GLU 27 H GLU 27 0.905 8.020 -9.189 203 HA GLU 27 HA GLU 27 -1.617 9.128 -9.439 204 HB2 GLU 27 HB2 GLU 27 0.340 10.226 -8.367 205 HB3 GLU 27 HB3 GLU 27 1.006 10.535 -9.964 206 HG2 GLU 27 HG2 GLU 27 -1.374 11.662 -10.308 207 HG3 GLU 27 HG3 GLU 27 -1.246 11.840 -8.559 208 H LYS 28 H LYS 28 0.907 8.760 -11.881 209 HA LYS 28 HA LYS 28 -0.386 10.233 -13.919 210 HB2 LYS 28 HB2 LYS 28 1.552 7.947 -14.296 211 HB3 LYS 28 HB3 LYS 28 1.218 9.254 -15.424 212 HG2 LYS 28 HG2 LYS 28 2.017 10.712 -13.344 213 HG3 LYS 28 HG3 LYS 28 2.900 9.225 -12.992 214 HD2 LYS 28 HD2 LYS 28 2.985 10.714 -15.616 215 HD3 LYS 28 HD3 LYS 28 4.211 10.819 -14.350 216 HE2 LYS 28 HE2 LYS 28 4.167 8.179 -14.623 217 HE3 LYS 28 HE3 LYS 28 3.599 8.606 -16.236 218 HZ1 LYS 28 HZ1 LYS 28 5.565 9.695 -16.729 219 HZ2 LYS 28 HZ2 LYS 28 6.104 8.357 -15.847 220 HZ3 LYS 28 HZ3 LYS 28 6.010 9.875 -15.106 221 H VAL 29 H VAL 29 -0.467 6.830 -12.993 222 HA VAL 29 HA VAL 29 -1.989 5.949 -15.226 223 HB VAL 29 HB VAL 29 -1.852 4.646 -12.506 224 HG11 VAL 29 HG11 VAL 29 -1.922 2.690 -14.435 225 HG12 VAL 29 HG12 VAL 29 -3.297 3.245 -13.479 226 HG13 VAL 29 HG13 VAL 29 -3.005 3.921 -15.082 227 HG21 VAL 29 HG21 VAL 29 0.058 3.387 -13.346 228 HG22 VAL 29 HG22 VAL 29 0.009 4.296 -14.857 229 HG23 VAL 29 HG23 VAL 29 0.403 5.117 -13.347 230 H PHE 30 H PHE 30 -2.820 7.037 -11.971 231 HA PHE 30 HA PHE 30 -5.551 6.387 -12.036 232 HB2 PHE 30 HB2 PHE 30 -4.053 8.529 -10.521 233 HB3 PHE 30 HB3 PHE 30 -5.756 8.170 -10.261 234 HD1 PHE 30 HD1 PHE 30 -2.967 7.868 -8.593 235 HD2 PHE 30 HD2 PHE 30 -5.807 5.253 -10.387 236 HE1 PHE 30 HE1 PHE 30 -2.345 6.102 -6.997 237 HE2 PHE 30 HE2 PHE 30 -5.190 3.484 -8.793 238 HZ PHE 30 HZ PHE 30 -3.457 3.907 -7.095 239 H LYS 31 H LYS 31 -3.920 9.478 -12.725 240 HA LYS 31 HA LYS 31 -6.256 10.849 -13.522 241 HB2 LYS 31 HB2 LYS 31 -3.383 11.350 -13.484 242 HB3 LYS 31 HB3 LYS 31 -4.172 12.073 -14.880 243 HG2 LYS 31 HG2 LYS 31 -5.037 12.483 -12.026 244 HG3 LYS 31 HG3 LYS 31 -4.010 13.591 -12.939 245 HD2 LYS 31 HD2 LYS 31 -6.752 12.756 -13.863 246 HD3 LYS 31 HD3 LYS 31 -6.469 14.174 -12.851 247 HE2 LYS 31 HE2 LYS 31 -4.819 13.914 -15.296 248 HE3 LYS 31 HE3 LYS 31 -6.530 14.276 -15.524 249 HZ1 LYS 31 HZ1 LYS 31 -6.011 16.049 -13.684 250 HZ2 LYS 31 HZ2 LYS 31 -5.694 16.366 -15.315 251 HZ3 LYS 31 HZ3 LYS 31 -4.436 15.902 -14.283 252 H GLN 32 H GLN 32 -3.834 9.011 -15.319 253 HA GLN 32 HA GLN 32 -4.754 9.644 -17.904 254 HB2 GLN 32 HB2 GLN 32 -2.575 8.692 -17.651 255 HB3 GLN 32 HB3 GLN 32 -3.223 7.272 -16.841 256 HG2 GLN 32 HG2 GLN 32 -4.445 7.528 -19.407 257 HG3 GLN 32 HG3 GLN 32 -2.693 7.625 -19.579 258 HE21 GLN 32 HE21 GLN 32 -4.670 5.819 -17.271 259 HE22 GLN 32 HE22 GLN 32 -4.081 4.258 -17.718 260 H TYR 33 H TYR 33 -5.478 6.906 -15.761 261 HA TYR 33 HA TYR 33 -7.157 5.497 -17.485 262 HB2 TYR 33 HB2 TYR 33 -6.627 5.541 -14.593 263 HB3 TYR 33 HB3 TYR 33 -8.237 4.975 -15.025 264 HD1 TYR 33 HD1 TYR 33 -7.976 3.402 -17.351 265 HD2 TYR 33 HD2 TYR 33 -5.213 3.784 -14.138 266 HE1 TYR 33 HE1 TYR 33 -7.056 1.184 -17.886 267 HE2 TYR 33 HE2 TYR 33 -4.286 1.568 -14.665 268 HH TYR 33 HH TYR 33 -5.255 -0.594 -15.867 269 H ALA 34 H ALA 34 -7.882 8.101 -15.204 270 HA ALA 34 HA ALA 34 -10.700 8.044 -15.647 271 HB1 ALA 34 HB1 ALA 34 -8.851 10.022 -14.347 272 HB2 ALA 34 HB2 ALA 34 -10.578 10.335 -14.531 273 HB3 ALA 34 HB3 ALA 34 -10.028 8.948 -13.590 274 H ASN 35 H ASN 35 -8.055 10.087 -16.846 275 HA ASN 35 HA ASN 35 -9.587 11.878 -18.341 276 HB2 ASN 35 HB2 ASN 35 -7.339 12.478 -18.040 277 HB3 ASN 35 HB3 ASN 35 -6.751 10.906 -18.576 278 HD21 ASN 35 HD21 ASN 35 -6.491 10.507 -20.734 279 HD22 ASN 35 HD22 ASN 35 -6.626 11.732 -21.945 280 H ASP 36 H ASP 36 -8.346 8.682 -19.145 281 HA ASP 36 HA ASP 36 -9.003 8.748 -21.898 282 HB2 ASP 36 HB2 ASP 36 -7.500 7.089 -20.505 283 HB3 ASP 36 HB3 ASP 36 -9.003 6.182 -20.360 284 H ASN 37 H ASN 37 -10.866 8.235 -19.039 285 HA ASN 37 HA ASN 37 -13.097 7.084 -20.530 286 HB2 ASN 37 HB2 ASN 37 -12.272 7.170 -17.718 287 HB3 ASN 37 HB3 ASN 37 -13.994 7.454 -17.953 288 HD21 ASN 37 HD21 ASN 37 -14.695 5.878 -19.967 289 HD22 ASN 37 HD22 ASN 37 -14.392 4.216 -19.603 290 H GLY 38 H GLY 38 -11.924 10.108 -19.778 291 HA2 GLY 38 HA2 GLY 38 -12.837 12.189 -20.190 292 HA3 GLY 38 HA3 GLY 38 -14.327 11.391 -20.672 293 H VAL 39 H VAL 39 -12.971 10.657 -17.577 294 HA VAL 39 HA VAL 39 -15.314 11.429 -16.200 295 HB VAL 39 HB VAL 39 -12.597 10.975 -14.966 296 HG11 VAL 39 HG11 VAL 39 -14.547 11.936 -13.615 297 HG12 VAL 39 HG12 VAL 39 -15.280 10.339 -13.780 298 HG13 VAL 39 HG13 VAL 39 -13.725 10.517 -12.967 299 HG21 VAL 39 HG21 VAL 39 -14.137 8.645 -14.755 300 HG22 VAL 39 HG22 VAL 39 -14.264 9.153 -16.439 301 HG23 VAL 39 HG23 VAL 39 -12.678 8.883 -15.717 302 H ASP 40 H ASP 40 -15.954 13.402 -15.673 303 HA ASP 40 HA ASP 40 -13.915 15.431 -15.044 304 HB2 ASP 40 HB2 ASP 40 -15.081 15.703 -17.311 305 HB3 ASP 40 HB3 ASP 40 -16.531 16.090 -16.388 306 H GLY 41 H GLY 41 -14.483 16.983 -13.472 307 HA2 GLY 41 HA2 GLY 41 -16.688 17.645 -12.186 308 HA3 GLY 41 HA3 GLY 41 -16.496 16.003 -11.591 309 H GLU 42 H GLU 42 -15.708 16.014 -9.601 310 HA GLU 42 HA GLU 42 -13.566 17.936 -8.964 311 HB2 GLU 42 HB2 GLU 42 -15.953 18.064 -7.819 312 HB3 GLU 42 HB3 GLU 42 -15.281 16.793 -6.807 313 HG2 GLU 42 HG2 GLU 42 -13.284 18.425 -6.530 314 HG3 GLU 42 HG3 GLU 42 -14.438 19.642 -7.072 315 H TRP 43 H TRP 43 -11.854 17.220 -7.678 316 HA TRP 43 HA TRP 43 -11.685 14.297 -7.336 317 HB2 TRP 43 HB2 TRP 43 -9.690 16.248 -8.429 318 HB3 TRP 43 HB3 TRP 43 -9.126 14.791 -7.616 319 HD1 TRP 43 HD1 TRP 43 -11.079 15.903 -10.733 320 HE1 TRP 43 HE1 TRP 43 -11.051 13.976 -12.439 321 HE3 TRP 43 HE3 TRP 43 -8.874 12.301 -7.853 322 HZ2 TRP 43 HZ2 TRP 43 -10.206 11.285 -12.549 323 HZ3 TRP 43 HZ3 TRP 43 -8.492 10.077 -8.833 324 HH2 TRP 43 HH2 TRP 43 -9.145 9.581 -11.133 325 H THR 44 H THR 44 -10.955 13.538 -5.416 326 HA THR 44 HA THR 44 -10.193 15.545 -3.395 327 HB THR 44 HB THR 44 -11.258 12.952 -2.452 328 HG1 THR 44 HG1 THR 44 -12.898 14.910 -3.720 329 HG21 THR 44 HG21 THR 44 -12.139 15.697 -1.628 330 HG22 THR 44 HG22 THR 44 -10.577 15.062 -1.110 331 HG23 THR 44 HG23 THR 44 -12.062 14.218 -0.672 332 H TYR 45 H TYR 45 -8.501 15.093 -2.013 333 HA TYR 45 HA TYR 45 -7.032 12.589 -2.465 334 HB2 TYR 45 HB2 TYR 45 -5.649 15.257 -2.198 335 HB3 TYR 45 HB3 TYR 45 -4.943 13.714 -2.666 336 HD1 TYR 45 HD1 TYR 45 -5.043 12.943 -4.927 337 HD2 TYR 45 HD2 TYR 45 -7.098 16.489 -3.783 338 HE1 TYR 45 HE1 TYR 45 -5.400 13.494 -7.298 339 HE2 TYR 45 HE2 TYR 45 -7.462 17.049 -6.150 340 HH TYR 45 HH TYR 45 -5.881 15.361 -8.702 341 H ASP 46 H ASP 46 -6.980 11.566 -0.585 342 HA ASP 46 HA ASP 46 -6.775 13.143 1.890 343 HB2 ASP 46 HB2 ASP 46 -7.647 10.263 1.572 344 HB3 ASP 46 HB3 ASP 46 -7.714 11.225 3.046 345 H ASP 47 H ASP 47 -4.626 13.409 2.217 346 HA ASP 47 HA ASP 47 -2.644 11.483 1.647 347 HB2 ASP 47 HB2 ASP 47 -2.075 13.833 1.845 348 HB3 ASP 47 HB3 ASP 47 -2.595 13.851 3.528 349 H ALA 48 H ALA 48 -4.925 11.664 4.140 350 HA ALA 48 HA ALA 48 -3.433 10.423 6.227 351 HB1 ALA 48 HB1 ALA 48 -5.479 10.267 7.404 352 HB2 ALA 48 HB2 ALA 48 -5.543 11.781 6.500 353 HB3 ALA 48 HB3 ALA 48 -6.425 10.369 5.918 354 H THR 49 H THR 49 -5.705 9.222 3.780 355 HA THR 49 HA THR 49 -4.919 6.474 4.493 356 HB THR 49 HB THR 49 -7.002 5.812 3.204 357 HG1 THR 49 HG1 THR 49 -8.569 7.681 3.240 358 HG21 THR 49 HG21 THR 49 -7.224 7.455 5.725 359 HG22 THR 49 HG22 THR 49 -7.041 5.706 5.592 360 HG23 THR 49 HG23 THR 49 -8.540 6.477 5.077 361 H LYS 50 H LYS 50 -3.972 8.732 2.453 362 HA LYS 50 HA LYS 50 -3.073 8.821 0.358 363 HB2 LYS 50 HB2 LYS 50 -2.601 5.862 0.648 364 HB3 LYS 50 HB3 LYS 50 -1.611 7.046 -0.194 365 HG2 LYS 50 HG2 LYS 50 -0.337 6.963 1.638 366 HG3 LYS 50 HG3 LYS 50 -1.564 8.022 2.340 367 HD2 LYS 50 HD2 LYS 50 -2.698 5.623 2.797 368 HD3 LYS 50 HD3 LYS 50 -0.993 5.169 2.852 369 HE2 LYS 50 HE2 LYS 50 -1.781 7.607 4.335 370 HE3 LYS 50 HE3 LYS 50 -2.339 6.066 4.985 371 HZ1 LYS 50 HZ1 LYS 50 0.454 6.932 4.517 372 HZ2 LYS 50 HZ2 LYS 50 0.039 5.321 4.817 373 HZ3 LYS 50 HZ3 LYS 50 -0.270 6.505 5.985 374 H THR 51 H THR 51 -5.920 8.266 0.510 375 HA THR 51 HA THR 51 -6.272 6.725 -1.979 376 HB THR 51 HB THR 51 -7.398 5.792 0.080 377 HG1 THR 51 HG1 THR 51 -8.952 5.072 -1.210 378 HG21 THR 51 HG21 THR 51 -9.029 6.910 1.211 379 HG22 THR 51 HG22 THR 51 -9.536 7.827 -0.207 380 HG23 THR 51 HG23 THR 51 -8.088 8.302 0.679 381 H PHE 52 H PHE 52 -7.359 7.635 -3.659 382 HA PHE 52 HA PHE 52 -8.070 10.471 -3.360 383 HB2 PHE 52 HB2 PHE 52 -7.605 8.998 -5.953 384 HB3 PHE 52 HB3 PHE 52 -7.642 10.739 -5.692 385 HD1 PHE 52 HD1 PHE 52 -5.924 11.065 -3.359 386 HD2 PHE 52 HD2 PHE 52 -5.489 8.517 -6.741 387 HE1 PHE 52 HE1 PHE 52 -3.484 11.069 -3.044 388 HE2 PHE 52 HE2 PHE 52 -3.048 8.517 -6.430 389 HZ PHE 52 HZ PHE 52 -2.042 9.793 -4.580 390 H THR 53 H THR 53 -9.871 11.229 -4.797 391 HA THR 53 HA THR 53 -11.926 9.216 -5.306 392 HB THR 53 HB THR 53 -12.720 11.686 -3.798 393 HG1 THR 53 HG1 THR 53 -11.221 10.652 -2.451 394 HG21 THR 53 HG21 THR 53 -13.958 9.155 -4.657 395 HG22 THR 53 HG22 THR 53 -14.684 10.741 -4.392 396 HG23 THR 53 HG23 THR 53 -14.364 9.677 -3.023 397 H VAL 54 H VAL 54 -13.632 9.954 -6.685 398 HA VAL 54 HA VAL 54 -13.293 12.564 -7.944 399 HB VAL 54 HB VAL 54 -11.890 11.171 -9.329 400 HG11 VAL 54 HG11 VAL 54 -14.261 9.385 -9.827 401 HG12 VAL 54 HG12 VAL 54 -12.594 9.149 -10.357 402 HG13 VAL 54 HG13 VAL 54 -13.004 9.021 -8.645 403 HG21 VAL 54 HG21 VAL 54 -12.703 11.882 -11.335 404 HG22 VAL 54 HG22 VAL 54 -14.337 11.307 -11.005 405 HG23 VAL 54 HG23 VAL 54 -13.763 12.803 -10.268 406 H THR 55 H THR 55 -15.224 13.476 -8.079 407 HA THR 55 HA THR 55 -17.589 11.737 -8.361 408 HB THR 55 HB THR 55 -17.418 14.439 -7.012 409 HG1 THR 55 HG1 THR 55 -17.382 13.337 -5.160 410 HG21 THR 55 HG21 THR 55 -19.795 13.259 -6.280 411 HG22 THR 55 HG22 THR 55 -19.663 12.851 -7.991 412 HG23 THR 55 HG23 THR 55 -19.609 14.537 -7.480 413 H GLU 56 H GLU 56 -19.126 12.243 -9.871 414 HA GLU 56 HA GLU 56 -18.549 14.548 -11.614 415 HB2 GLU 56 HB2 GLU 56 -19.816 12.003 -12.598 416 HB3 GLU 56 HB3 GLU 56 -19.077 13.292 -13.538 417 HG2 GLU 56 HG2 GLU 56 -17.294 11.973 -13.644 418 HG3 GLU 56 HG3 GLU 56 -17.002 12.442 -11.970 Start of MODEL 5 1 H MET 1 H MET 1 2.652 -2.159 -2.292 2 HA MET 1 HA MET 1 1.375 -0.560 -0.328 3 HB2 MET 1 HB2 MET 1 3.564 0.395 0.011 4 HB3 MET 1 HB3 MET 1 3.782 0.622 -1.719 5 HG2 MET 1 HG2 MET 1 3.270 2.727 -0.686 6 HG3 MET 1 HG3 MET 1 1.931 2.236 -1.721 7 HE1 MET 1 HE1 MET 1 -0.351 0.647 -0.103 8 HE2 MET 1 HE2 MET 1 -1.032 2.220 0.313 9 HE3 MET 1 HE3 MET 1 -0.201 1.997 -1.228 10 H GLN 2 H GLN 2 -0.417 -1.014 -1.620 11 HA GLN 2 HA GLN 2 -0.433 0.264 -4.273 12 HB2 GLN 2 HB2 GLN 2 -2.309 -1.235 -4.820 13 HB3 GLN 2 HB3 GLN 2 -0.856 -2.127 -4.389 14 HG2 GLN 2 HG2 GLN 2 -2.546 -3.273 -3.298 15 HG3 GLN 2 HG3 GLN 2 -1.862 -2.249 -2.038 16 HE21 GLN 2 HE21 GLN 2 -4.196 -1.681 -4.649 17 HE22 GLN 2 HE22 GLN 2 -5.445 -1.063 -3.629 18 H TYR 3 H TYR 3 -2.177 1.572 -4.865 19 HA TYR 3 HA TYR 3 -3.738 2.596 -2.590 20 HB2 TYR 3 HB2 TYR 3 -3.221 4.048 -5.183 21 HB3 TYR 3 HB3 TYR 3 -3.802 4.720 -3.663 22 HD1 TYR 3 HD1 TYR 3 -2.229 4.889 -1.720 23 HD2 TYR 3 HD2 TYR 3 -0.902 3.843 -5.625 24 HE1 TYR 3 HE1 TYR 3 0.079 5.448 -1.079 25 HE2 TYR 3 HE2 TYR 3 1.409 4.398 -4.995 26 HH TYR 3 HH TYR 3 2.315 5.051 -1.719 27 H LYS 4 H LYS 4 -5.930 3.279 -2.995 28 HA LYS 4 HA LYS 4 -7.193 1.865 -5.252 29 HB2 LYS 4 HB2 LYS 4 -7.577 0.733 -3.068 30 HB3 LYS 4 HB3 LYS 4 -8.345 2.201 -2.477 31 HG2 LYS 4 HG2 LYS 4 -9.758 1.772 -4.743 32 HG3 LYS 4 HG3 LYS 4 -9.375 0.116 -4.266 33 HD2 LYS 4 HD2 LYS 4 -10.155 1.521 -1.933 34 HD3 LYS 4 HD3 LYS 4 -11.341 1.879 -3.190 35 HE2 LYS 4 HE2 LYS 4 -11.243 -0.701 -3.602 36 HE3 LYS 4 HE3 LYS 4 -10.603 -0.742 -1.960 37 HZ1 LYS 4 HZ1 LYS 4 -12.775 0.894 -1.786 38 HZ2 LYS 4 HZ2 LYS 4 -12.717 -0.729 -1.315 39 HZ3 LYS 4 HZ3 LYS 4 -13.286 -0.315 -2.853 40 H LEU 5 H LEU 5 -8.651 2.980 -6.432 41 HA LEU 5 HA LEU 5 -9.129 5.770 -5.655 42 HB2 LEU 5 HB2 LEU 5 -8.042 5.093 -7.882 43 HB3 LEU 5 HB3 LEU 5 -9.663 4.596 -8.364 44 HG LEU 5 HG LEU 5 -9.257 7.371 -7.354 45 HD11 LEU 5 HD11 LEU 5 -8.367 6.328 -10.025 46 HD12 LEU 5 HD12 LEU 5 -7.471 7.321 -8.876 47 HD13 LEU 5 HD13 LEU 5 -8.822 8.013 -9.774 48 HD21 LEU 5 HD21 LEU 5 -11.496 6.393 -7.903 49 HD22 LEU 5 HD22 LEU 5 -10.968 6.284 -9.582 50 HD23 LEU 5 HD23 LEU 5 -11.090 7.858 -8.796 51 H ILE 6 H ILE 6 -11.127 6.517 -5.256 52 HA ILE 6 HA ILE 6 -13.354 4.615 -5.519 53 HB ILE 6 HB ILE 6 -13.121 7.040 -3.733 54 HG12 ILE 6 HG12 ILE 6 -13.467 4.727 -2.203 55 HG13 ILE 6 HG13 ILE 6 -12.296 4.273 -3.436 56 HG21 ILE 6 HG21 ILE 6 -15.178 5.626 -2.730 57 HG22 ILE 6 HG22 ILE 6 -15.369 6.941 -3.888 58 HG23 ILE 6 HG23 ILE 6 -15.365 5.268 -4.446 59 HD11 ILE 6 HD11 ILE 6 -11.292 6.650 -2.662 60 HD12 ILE 6 HD12 ILE 6 -12.033 6.102 -1.158 61 HD13 ILE 6 HD13 ILE 6 -10.826 5.100 -1.963 62 H LEU 7 H LEU 7 -14.685 4.963 -7.159 63 HA LEU 7 HA LEU 7 -14.958 7.688 -8.222 64 HB2 LEU 7 HB2 LEU 7 -15.862 5.134 -9.528 65 HB3 LEU 7 HB3 LEU 7 -15.668 6.720 -10.273 66 HG LEU 7 HG LEU 7 -13.169 5.783 -9.168 67 HD11 LEU 7 HD11 LEU 7 -13.190 4.077 -11.285 68 HD12 LEU 7 HD12 LEU 7 -14.806 3.838 -10.622 69 HD13 LEU 7 HD13 LEU 7 -13.389 3.597 -9.600 70 HD21 LEU 7 HD21 LEU 7 -13.518 6.015 -12.074 71 HD22 LEU 7 HD22 LEU 7 -12.356 6.796 -11.001 72 HD23 LEU 7 HD23 LEU 7 -13.991 7.441 -11.151 73 H ASN 8 H ASN 8 -16.789 8.781 -7.948 74 HA ASN 8 HA ASN 8 -19.223 7.284 -7.234 75 HB2 ASN 8 HB2 ASN 8 -17.970 8.684 -5.386 76 HB3 ASN 8 HB3 ASN 8 -18.766 10.045 -6.172 77 HD21 ASN 8 HD21 ASN 8 -21.181 9.452 -6.699 78 HD22 ASN 8 HD22 ASN 8 -22.064 8.837 -5.348 79 H GLY 9 H GLY 9 -19.383 7.503 -9.675 80 HA2 GLY 9 HA2 GLY 9 -20.036 10.122 -10.698 81 HA3 GLY 9 HA3 GLY 9 -20.132 8.602 -11.576 82 H LYS 10 H LYS 10 -22.037 10.839 -11.436 83 HA LYS 10 HA LYS 10 -24.283 9.891 -9.903 84 HB2 LYS 10 HB2 LYS 10 -24.342 11.983 -12.073 85 HB3 LYS 10 HB3 LYS 10 -25.453 11.796 -10.723 86 HG2 LYS 10 HG2 LYS 10 -22.546 12.533 -10.457 87 HG3 LYS 10 HG3 LYS 10 -23.885 13.683 -10.456 88 HD2 LYS 10 HD2 LYS 10 -24.651 12.992 -8.393 89 HD3 LYS 10 HD3 LYS 10 -23.921 11.392 -8.542 90 HE2 LYS 10 HE2 LYS 10 -22.455 12.296 -7.061 91 HE3 LYS 10 HE3 LYS 10 -21.694 12.849 -8.552 92 HZ1 LYS 10 HZ1 LYS 10 -22.576 14.985 -8.284 93 HZ2 LYS 10 HZ2 LYS 10 -22.032 14.558 -6.741 94 HZ3 LYS 10 HZ3 LYS 10 -23.683 14.492 -7.104 95 H THR 11 H THR 11 -23.030 9.404 -13.068 96 HA THR 11 HA THR 11 -25.561 8.197 -13.956 97 HB THR 11 HB THR 11 -24.813 9.796 -15.556 98 HG1 THR 11 HG1 THR 11 -24.642 8.466 -17.339 99 HG21 THR 11 HG21 THR 11 -22.174 8.786 -14.828 100 HG22 THR 11 HG22 THR 11 -22.643 10.353 -15.490 101 HG23 THR 11 HG23 THR 11 -22.384 8.981 -16.568 102 H LEU 12 H LEU 12 -22.368 7.483 -12.949 103 HA LEU 12 HA LEU 12 -22.867 4.653 -13.198 104 HB2 LEU 12 HB2 LEU 12 -20.438 4.531 -14.275 105 HB3 LEU 12 HB3 LEU 12 -21.910 4.587 -15.242 106 HG LEU 12 HG LEU 12 -21.588 6.958 -15.644 107 HD11 LEU 12 HD11 LEU 12 -19.353 6.613 -13.692 108 HD12 LEU 12 HD12 LEU 12 -20.597 7.860 -13.762 109 HD13 LEU 12 HD13 LEU 12 -19.272 7.870 -14.926 110 HD21 LEU 12 HD21 LEU 12 -19.612 4.928 -16.381 111 HD22 LEU 12 HD22 LEU 12 -19.049 6.589 -16.565 112 HD23 LEU 12 HD23 LEU 12 -20.514 6.057 -17.392 113 H LYS 13 H LYS 13 -21.663 3.432 -11.776 114 HA LYS 13 HA LYS 13 -19.706 4.885 -10.123 115 HB2 LYS 13 HB2 LYS 13 -21.754 2.901 -9.119 116 HB3 LYS 13 HB3 LYS 13 -20.553 3.735 -8.142 117 HG2 LYS 13 HG2 LYS 13 -22.451 5.370 -9.739 118 HG3 LYS 13 HG3 LYS 13 -23.042 4.572 -8.279 119 HD2 LYS 13 HD2 LYS 13 -20.578 6.305 -8.333 120 HD3 LYS 13 HD3 LYS 13 -22.190 6.926 -7.970 121 HE2 LYS 13 HE2 LYS 13 -20.700 4.790 -6.449 122 HE3 LYS 13 HE3 LYS 13 -20.992 6.445 -5.917 123 HZ1 LYS 13 HZ1 LYS 13 -23.407 5.931 -6.044 124 HZ2 LYS 13 HZ2 LYS 13 -22.576 5.049 -4.864 125 HZ3 LYS 13 HZ3 LYS 13 -23.010 4.310 -6.323 126 H GLY 14 H GLY 14 -18.010 3.644 -9.238 127 HA2 GLY 14 HA2 GLY 14 -17.742 0.860 -9.494 128 HA3 GLY 14 HA3 GLY 14 -17.004 1.615 -10.899 129 H GLU 15 H GLU 15 -15.293 0.218 -9.538 130 HA GLU 15 HA GLU 15 -13.671 2.226 -8.158 131 HB2 GLU 15 HB2 GLU 15 -15.016 0.278 -6.745 132 HB3 GLU 15 HB3 GLU 15 -13.425 -0.435 -6.967 133 HG2 GLU 15 HG2 GLU 15 -12.484 0.933 -5.488 134 HG3 GLU 15 HG3 GLU 15 -13.307 2.349 -6.140 135 H THR 16 H THR 16 -11.405 1.768 -8.154 136 HA THR 16 HA THR 16 -10.516 -0.420 -9.882 137 HB THR 16 HB THR 16 -8.891 1.310 -10.944 138 HG1 THR 16 HG1 THR 16 -9.286 3.234 -10.105 139 HG21 THR 16 HG21 THR 16 -10.138 1.078 -12.796 140 HG22 THR 16 HG22 THR 16 -11.530 1.878 -12.066 141 HG23 THR 16 HG23 THR 16 -11.244 0.163 -11.773 142 H THR 17 H THR 17 -8.160 -0.745 -9.797 143 HA THR 17 HA THR 17 -6.776 0.476 -7.545 144 HB THR 17 HB THR 17 -6.068 -2.022 -6.954 145 HG1 THR 17 HG1 THR 17 -8.765 -2.272 -7.850 146 HG21 THR 17 HG21 THR 17 -7.923 -2.005 -5.229 147 HG22 THR 17 HG22 THR 17 -8.513 -0.537 -6.008 148 HG23 THR 17 HG23 THR 17 -6.907 -0.565 -5.280 149 H THR 18 H THR 18 -4.532 0.314 -7.654 150 HA THR 18 HA THR 18 -3.356 -1.172 -9.876 151 HB THR 18 HB THR 18 -3.886 1.118 -10.734 152 HG1 THR 18 HG1 THR 18 -2.111 -0.095 -11.572 153 HG21 THR 18 HG21 THR 18 -3.045 3.039 -9.819 154 HG22 THR 18 HG22 THR 18 -1.642 2.224 -9.126 155 HG23 THR 18 HG23 THR 18 -3.219 2.077 -8.351 156 H GLU 19 H GLU 19 -1.203 -1.716 -9.585 157 HA GLU 19 HA GLU 19 -0.165 -1.217 -6.883 158 HB2 GLU 19 HB2 GLU 19 1.320 -3.200 -7.399 159 HB3 GLU 19 HB3 GLU 19 -0.397 -3.545 -7.258 160 HG2 GLU 19 HG2 GLU 19 -0.510 -4.316 -9.334 161 HG3 GLU 19 HG3 GLU 19 0.349 -2.919 -9.981 162 H ALA 20 H ALA 20 1.495 0.115 -6.643 163 HA ALA 20 HA ALA 20 3.504 0.327 -8.757 164 HB1 ALA 20 HB1 ALA 20 3.355 2.927 -8.124 165 HB2 ALA 20 HB2 ALA 20 2.465 2.205 -9.465 166 HB3 ALA 20 HB3 ALA 20 1.662 2.477 -7.919 167 H VAL 21 H VAL 21 5.510 1.270 -8.043 168 HA VAL 21 HA VAL 21 6.149 0.533 -5.341 169 HB VAL 21 HB VAL 21 7.722 0.153 -7.215 170 HG11 VAL 21 HG11 VAL 21 8.784 2.852 -7.278 171 HG12 VAL 21 HG12 VAL 21 8.389 1.761 -8.608 172 HG13 VAL 21 HG13 VAL 21 7.133 2.770 -7.890 173 HG21 VAL 21 HG21 VAL 21 9.075 2.047 -5.344 174 HG22 VAL 21 HG22 VAL 21 8.348 0.568 -4.717 175 HG23 VAL 21 HG23 VAL 21 9.617 0.477 -5.938 176 H ASP 22 H ASP 22 5.114 3.382 -6.882 177 HA ASP 22 HA ASP 22 5.477 4.880 -4.416 178 HB2 ASP 22 HB2 ASP 22 7.060 5.345 -6.814 179 HB3 ASP 22 HB3 ASP 22 6.152 6.777 -6.336 180 H ALA 23 H ALA 23 4.251 6.927 -4.428 181 HA ALA 23 HA ALA 23 1.648 6.522 -5.518 182 HB1 ALA 23 HB1 ALA 23 0.968 8.248 -4.181 183 HB2 ALA 23 HB2 ALA 23 2.442 7.769 -3.339 184 HB3 ALA 23 HB3 ALA 23 2.456 9.165 -4.416 185 H ALA 24 H ALA 24 4.469 8.240 -6.548 186 HA ALA 24 HA ALA 24 3.316 10.161 -8.231 187 HB1 ALA 24 HB1 ALA 24 5.840 9.591 -7.495 188 HB2 ALA 24 HB2 ALA 24 5.845 8.949 -9.138 189 HB3 ALA 24 HB3 ALA 24 5.430 10.639 -8.853 190 H THR 25 H THR 25 4.215 6.791 -8.819 191 HA THR 25 HA THR 25 3.544 6.860 -11.601 192 HB THR 25 HB THR 25 3.744 4.381 -9.894 193 HG1 THR 25 HG1 THR 25 6.033 4.564 -10.847 194 HG21 THR 25 HG21 THR 25 3.698 3.244 -11.821 195 HG22 THR 25 HG22 THR 25 4.859 4.334 -12.579 196 HG23 THR 25 HG23 THR 25 3.142 4.738 -12.573 197 H ALA 26 H ALA 26 1.884 5.933 -8.640 198 HA ALA 26 HA ALA 26 -0.358 4.725 -9.903 199 HB1 ALA 26 HB1 ALA 26 0.541 4.718 -7.384 200 HB2 ALA 26 HB2 ALA 26 -0.714 5.949 -7.236 201 HB3 ALA 26 HB3 ALA 26 -1.127 4.333 -7.811 202 H GLU 27 H GLU 27 0.359 7.993 -8.786 203 HA GLU 27 HA GLU 27 -2.220 9.072 -9.088 204 HB2 GLU 27 HB2 GLU 27 -0.122 10.076 -7.950 205 HB3 GLU 27 HB3 GLU 27 0.285 10.664 -9.556 206 HG2 GLU 27 HG2 GLU 27 -2.393 11.364 -9.146 207 HG3 GLU 27 HG3 GLU 27 -1.558 11.729 -7.637 208 H LYS 28 H LYS 28 0.567 9.095 -11.302 209 HA LYS 28 HA LYS 28 -0.692 10.446 -13.412 210 HB2 LYS 28 HB2 LYS 28 1.089 9.423 -14.835 211 HB3 LYS 28 HB3 LYS 28 1.699 10.223 -13.392 212 HG2 LYS 28 HG2 LYS 28 1.866 8.025 -12.283 213 HG3 LYS 28 HG3 LYS 28 1.347 7.259 -13.786 214 HD2 LYS 28 HD2 LYS 28 3.681 7.102 -13.835 215 HD3 LYS 28 HD3 LYS 28 3.319 8.485 -14.870 216 HE2 LYS 28 HE2 LYS 28 3.569 9.727 -12.495 217 HE3 LYS 28 HE3 LYS 28 4.669 8.372 -12.247 218 HZ1 LYS 28 HZ1 LYS 28 5.212 10.710 -13.584 219 HZ2 LYS 28 HZ2 LYS 28 5.053 9.550 -14.804 220 HZ3 LYS 28 HZ3 LYS 28 6.170 9.316 -13.555 221 H VAL 29 H VAL 29 -0.430 6.987 -12.694 222 HA VAL 29 HA VAL 29 -1.721 6.087 -15.047 223 HB VAL 29 HB VAL 29 -1.420 4.749 -12.356 224 HG11 VAL 29 HG11 VAL 29 -3.063 3.424 -13.166 225 HG12 VAL 29 HG12 VAL 29 -2.776 3.905 -14.840 226 HG13 VAL 29 HG13 VAL 29 -1.732 2.708 -14.073 227 HG21 VAL 29 HG21 VAL 29 0.501 3.741 -13.171 228 HG22 VAL 29 HG22 VAL 29 0.067 4.036 -14.855 229 HG23 VAL 29 HG23 VAL 29 0.616 5.369 -13.839 230 H PHE 30 H PHE 30 -2.890 6.897 -11.814 231 HA PHE 30 HA PHE 30 -5.560 6.030 -12.246 232 HB2 PHE 30 HB2 PHE 30 -4.151 7.664 -10.189 233 HB3 PHE 30 HB3 PHE 30 -5.906 7.780 -10.271 234 HD1 PHE 30 HD1 PHE 30 -3.533 6.359 -8.411 235 HD2 PHE 30 HD2 PHE 30 -6.838 5.151 -10.807 236 HE1 PHE 30 HE1 PHE 30 -3.726 4.289 -7.096 237 HE2 PHE 30 HE2 PHE 30 -7.037 3.080 -9.494 238 HZ PHE 30 HZ PHE 30 -5.481 2.646 -7.635 239 H LYS 31 H LYS 31 -3.961 9.185 -12.466 240 HA LYS 31 HA LYS 31 -6.315 10.626 -13.148 241 HB2 LYS 31 HB2 LYS 31 -3.451 11.177 -12.900 242 HB3 LYS 31 HB3 LYS 31 -4.228 12.103 -14.177 243 HG2 LYS 31 HG2 LYS 31 -5.190 11.997 -11.327 244 HG3 LYS 31 HG3 LYS 31 -4.162 13.267 -11.995 245 HD2 LYS 31 HD2 LYS 31 -6.872 12.544 -13.100 246 HD3 LYS 31 HD3 LYS 31 -6.604 13.825 -11.915 247 HE2 LYS 31 HE2 LYS 31 -4.744 14.257 -13.974 248 HE3 LYS 31 HE3 LYS 31 -6.272 13.880 -14.768 249 HZ1 LYS 31 HZ1 LYS 31 -6.577 16.082 -14.460 250 HZ2 LYS 31 HZ2 LYS 31 -5.553 16.170 -13.117 251 HZ3 LYS 31 HZ3 LYS 31 -7.128 15.578 -12.941 252 H GLN 32 H GLN 32 -3.733 9.119 -15.029 253 HA GLN 32 HA GLN 32 -4.605 10.082 -17.552 254 HB2 GLN 32 HB2 GLN 32 -2.339 9.338 -17.323 255 HB3 GLN 32 HB3 GLN 32 -2.856 7.750 -16.772 256 HG2 GLN 32 HG2 GLN 32 -4.010 8.268 -19.327 257 HG3 GLN 32 HG3 GLN 32 -2.277 8.585 -19.396 258 HE21 GLN 32 HE21 GLN 32 -4.107 6.231 -17.495 259 HE22 GLN 32 HE22 GLN 32 -3.322 4.835 -18.141 260 H TYR 33 H TYR 33 -5.081 7.000 -15.851 261 HA TYR 33 HA TYR 33 -6.593 5.749 -17.866 262 HB2 TYR 33 HB2 TYR 33 -5.542 4.554 -15.966 263 HB3 TYR 33 HB3 TYR 33 -6.722 5.278 -14.880 264 HD1 TYR 33 HD1 TYR 33 -8.941 4.415 -14.715 265 HD2 TYR 33 HD2 TYR 33 -6.273 2.896 -17.661 266 HE1 TYR 33 HE1 TYR 33 -10.489 2.553 -15.149 267 HE2 TYR 33 HE2 TYR 33 -7.814 1.031 -18.104 268 HH TYR 33 HH TYR 33 -10.271 0.571 -17.842 269 H ALA 34 H ALA 34 -7.529 7.754 -15.111 270 HA ALA 34 HA ALA 34 -10.337 7.437 -15.507 271 HB1 ALA 34 HB1 ALA 34 -10.622 8.886 -13.725 272 HB2 ALA 34 HB2 ALA 34 -9.050 8.162 -13.379 273 HB3 ALA 34 HB3 ALA 34 -9.142 9.778 -14.080 274 H ASN 35 H ASN 35 -8.006 9.992 -16.318 275 HA ASN 35 HA ASN 35 -9.817 11.806 -17.438 276 HB2 ASN 35 HB2 ASN 35 -7.677 12.661 -17.006 277 HB3 ASN 35 HB3 ASN 35 -6.875 11.324 -17.826 278 HD21 ASN 35 HD21 ASN 35 -5.747 12.304 -19.373 279 HD22 ASN 35 HD22 ASN 35 -6.410 13.349 -20.579 280 H ASP 36 H ASP 36 -7.959 9.184 -18.938 281 HA ASP 36 HA ASP 36 -8.719 9.639 -21.590 282 HB2 ASP 36 HB2 ASP 36 -7.782 7.225 -20.079 283 HB3 ASP 36 HB3 ASP 36 -8.332 7.053 -21.744 284 H ASN 37 H ASN 37 -10.471 8.304 -18.933 285 HA ASN 37 HA ASN 37 -12.457 6.991 -20.562 286 HB2 ASN 37 HB2 ASN 37 -11.656 6.766 -17.919 287 HB3 ASN 37 HB3 ASN 37 -13.230 7.546 -17.802 288 HD21 ASN 37 HD21 ASN 37 -11.541 4.654 -18.395 289 HD22 ASN 37 HD22 ASN 37 -12.907 3.646 -18.717 290 H GLY 38 H GLY 38 -11.819 10.162 -19.779 291 HA2 GLY 38 HA2 GLY 38 -13.027 12.057 -20.352 292 HA3 GLY 38 HA3 GLY 38 -14.381 11.023 -20.782 293 H VAL 39 H VAL 39 -12.927 10.655 -17.666 294 HA VAL 39 HA VAL 39 -15.357 11.133 -16.307 295 HB VAL 39 HB VAL 39 -13.601 9.665 -15.407 296 HG11 VAL 39 HG11 VAL 39 -11.748 11.292 -16.127 297 HG12 VAL 39 HG12 VAL 39 -12.060 12.105 -14.592 298 HG13 VAL 39 HG13 VAL 39 -11.543 10.418 -14.610 299 HG21 VAL 39 HG21 VAL 39 -14.215 10.035 -13.261 300 HG22 VAL 39 HG22 VAL 39 -13.779 11.743 -13.314 301 HG23 VAL 39 HG23 VAL 39 -15.305 11.200 -14.011 302 H ASP 40 H ASP 40 -16.241 12.944 -15.547 303 HA ASP 40 HA ASP 40 -14.551 15.345 -15.316 304 HB2 ASP 40 HB2 ASP 40 -16.089 15.298 -17.355 305 HB3 ASP 40 HB3 ASP 40 -17.428 15.421 -16.217 306 H GLY 41 H GLY 41 -14.944 16.690 -13.589 307 HA2 GLY 41 HA2 GLY 41 -16.978 17.154 -11.973 308 HA3 GLY 41 HA3 GLY 41 -16.578 15.520 -11.465 309 H GLU 42 H GLU 42 -15.738 15.785 -9.482 310 HA GLU 42 HA GLU 42 -13.501 17.685 -9.205 311 HB2 GLU 42 HB2 GLU 42 -15.626 18.150 -7.869 312 HB3 GLU 42 HB3 GLU 42 -15.232 16.713 -6.937 313 HG2 GLU 42 HG2 GLU 42 -14.405 18.513 -5.692 314 HG3 GLU 42 HG3 GLU 42 -12.994 17.795 -6.469 315 H TRP 43 H TRP 43 -11.681 17.029 -8.041 316 HA TRP 43 HA TRP 43 -11.497 14.125 -7.571 317 HB2 TRP 43 HB2 TRP 43 -9.577 16.045 -8.838 318 HB3 TRP 43 HB3 TRP 43 -8.958 14.621 -8.006 319 HD1 TRP 43 HD1 TRP 43 -11.096 15.606 -11.044 320 HE1 TRP 43 HE1 TRP 43 -11.146 13.619 -12.680 321 HE3 TRP 43 HE3 TRP 43 -8.691 12.128 -8.170 322 HZ2 TRP 43 HZ2 TRP 43 -10.280 10.933 -12.744 323 HZ3 TRP 43 HZ3 TRP 43 -8.342 9.874 -9.092 324 HH2 TRP 43 HH2 TRP 43 -9.121 9.291 -11.332 325 H THR 44 H THR 44 -10.662 13.428 -5.671 326 HA THR 44 HA THR 44 -9.801 15.500 -3.757 327 HB THR 44 HB THR 44 -10.775 12.926 -2.676 328 HG1 THR 44 HG1 THR 44 -12.601 14.844 -3.733 329 HG21 THR 44 HG21 THR 44 -10.280 15.544 -1.763 330 HG22 THR 44 HG22 THR 44 -10.906 14.179 -0.838 331 HG23 THR 44 HG23 THR 44 -12.020 15.291 -1.634 332 H TYR 45 H TYR 45 -8.027 15.107 -2.464 333 HA TYR 45 HA TYR 45 -6.562 12.601 -2.913 334 HB2 TYR 45 HB2 TYR 45 -5.320 15.359 -2.978 335 HB3 TYR 45 HB3 TYR 45 -4.458 13.832 -3.134 336 HD1 TYR 45 HD1 TYR 45 -4.238 12.780 -5.229 337 HD2 TYR 45 HD2 TYR 45 -6.984 15.998 -4.775 338 HE1 TYR 45 HE1 TYR 45 -4.557 12.843 -7.666 339 HE2 TYR 45 HE2 TYR 45 -7.312 16.069 -7.211 340 HH TYR 45 HH TYR 45 -5.522 13.891 -9.371 341 H ASP 46 H ASP 46 -6.378 11.659 -0.999 342 HA ASP 46 HA ASP 46 -6.011 13.344 1.385 343 HB2 ASP 46 HB2 ASP 46 -6.930 10.465 1.259 344 HB3 ASP 46 HB3 ASP 46 -6.892 11.496 2.687 345 H ASP 47 H ASP 47 -3.842 13.595 1.558 346 HA ASP 47 HA ASP 47 -1.923 11.618 0.948 347 HB2 ASP 47 HB2 ASP 47 -0.330 13.085 2.123 348 HB3 ASP 47 HB3 ASP 47 -1.353 13.993 1.013 349 H ALA 48 H ALA 48 -4.033 11.940 3.571 350 HA ALA 48 HA ALA 48 -2.419 10.782 5.614 351 HB1 ALA 48 HB1 ALA 48 -5.424 10.924 5.402 352 HB2 ALA 48 HB2 ALA 48 -4.500 10.551 6.858 353 HB3 ALA 48 HB3 ALA 48 -4.382 12.150 6.124 354 H THR 49 H THR 49 -4.860 9.492 3.385 355 HA THR 49 HA THR 49 -4.047 6.772 4.170 356 HB THR 49 HB THR 49 -6.219 6.070 3.070 357 HG1 THR 49 HG1 THR 49 -6.309 8.424 2.158 358 HG21 THR 49 HG21 THR 49 -6.068 6.107 5.466 359 HG22 THR 49 HG22 THR 49 -7.616 6.817 5.006 360 HG23 THR 49 HG23 THR 49 -6.281 7.857 5.500 361 H LYS 50 H LYS 50 -3.234 8.925 1.964 362 HA LYS 50 HA LYS 50 -2.490 8.908 -0.193 363 HB2 LYS 50 HB2 LYS 50 -2.011 5.962 0.205 364 HB3 LYS 50 HB3 LYS 50 -1.081 7.096 -0.767 365 HG2 LYS 50 HG2 LYS 50 0.325 7.088 0.969 366 HG3 LYS 50 HG3 LYS 50 -0.837 8.197 1.701 367 HD2 LYS 50 HD2 LYS 50 -1.950 5.828 2.359 368 HD3 LYS 50 HD3 LYS 50 -0.244 5.376 2.331 369 HE2 LYS 50 HE2 LYS 50 -0.852 7.904 3.705 370 HE3 LYS 50 HE3 LYS 50 -1.513 6.459 4.468 371 HZ1 LYS 50 HZ1 LYS 50 0.545 5.648 4.935 372 HZ2 LYS 50 HZ2 LYS 50 0.899 7.301 4.999 373 HZ3 LYS 50 HZ3 LYS 50 1.287 6.406 3.617 374 H THR 51 H THR 51 -5.321 8.382 0.191 375 HA THR 51 HA THR 51 -5.862 6.720 -2.183 376 HB THR 51 HB THR 51 -6.852 5.919 -0.004 377 HG1 THR 51 HG1 THR 51 -8.332 6.513 -2.323 378 HG21 THR 51 HG21 THR 51 -7.502 8.510 0.429 379 HG22 THR 51 HG22 THR 51 -8.310 7.150 1.209 380 HG23 THR 51 HG23 THR 51 -9.025 7.899 -0.218 381 H PHE 52 H PHE 52 -7.052 7.553 -3.833 382 HA PHE 52 HA PHE 52 -7.713 10.410 -3.643 383 HB2 PHE 52 HB2 PHE 52 -7.439 8.790 -6.176 384 HB3 PHE 52 HB3 PHE 52 -7.448 10.543 -6.012 385 HD1 PHE 52 HD1 PHE 52 -5.572 10.992 -3.830 386 HD2 PHE 52 HD2 PHE 52 -5.384 8.238 -7.070 387 HE1 PHE 52 HE1 PHE 52 -3.116 10.991 -3.682 388 HE2 PHE 52 HE2 PHE 52 -2.928 8.231 -6.927 389 HZ PHE 52 HZ PHE 52 -1.791 9.608 -5.231 390 H THR 53 H THR 53 -9.602 11.112 -4.996 391 HA THR 53 HA THR 53 -11.703 9.106 -5.271 392 HB THR 53 HB THR 53 -12.528 11.603 -3.883 393 HG1 THR 53 HG1 THR 53 -11.940 10.742 -1.872 394 HG21 THR 53 HG21 THR 53 -14.358 10.391 -3.305 395 HG22 THR 53 HG22 THR 53 -13.431 8.911 -3.054 396 HG23 THR 53 HG23 THR 53 -13.863 9.414 -4.688 397 H VAL 54 H VAL 54 -13.488 9.801 -6.561 398 HA VAL 54 HA VAL 54 -13.237 12.371 -7.918 399 HB VAL 54 HB VAL 54 -11.921 10.941 -9.348 400 HG11 VAL 54 HG11 VAL 54 -12.982 8.810 -8.527 401 HG12 VAL 54 HG12 VAL 54 -14.309 9.132 -9.644 402 HG13 VAL 54 HG13 VAL 54 -12.675 8.885 -10.262 403 HG21 VAL 54 HG21 VAL 54 -12.921 11.469 -11.365 404 HG22 VAL 54 HG22 VAL 54 -14.542 11.097 -10.779 405 HG23 VAL 54 HG23 VAL 54 -13.732 12.574 -10.255 406 H THR 55 H THR 55 -15.177 13.275 -7.936 407 HA THR 55 HA THR 55 -17.546 11.533 -8.154 408 HB THR 55 HB THR 55 -17.291 14.082 -6.546 409 HG1 THR 55 HG1 THR 55 -17.053 12.790 -4.872 410 HG21 THR 55 HG21 THR 55 -19.601 13.545 -5.803 411 HG22 THR 55 HG22 THR 55 -19.659 12.269 -7.019 412 HG23 THR 55 HG23 THR 55 -19.498 13.954 -7.515 413 H GLU 56 H GLU 56 -19.166 12.162 -9.522 414 HA GLU 56 HA GLU 56 -18.636 14.568 -11.139 415 HB2 GLU 56 HB2 GLU 56 -20.223 12.203 -12.105 416 HB3 GLU 56 HB3 GLU 56 -19.464 13.475 -13.053 417 HG2 GLU 56 HG2 GLU 56 -17.252 12.542 -12.120 418 HG3 GLU 56 HG3 GLU 56 -18.206 11.116 -11.717 Start of MODEL 6 1 H MET 1 H MET 1 1.723 2.365 -0.713 2 HA MET 1 HA MET 1 2.874 1.880 -2.699 3 HB2 MET 1 HB2 MET 1 2.616 -0.820 -1.558 4 HB3 MET 1 HB3 MET 1 2.547 -0.762 -3.314 5 HG2 MET 1 HG2 MET 1 4.735 -0.481 -3.459 6 HG3 MET 1 HG3 MET 1 4.690 0.882 -2.343 7 HE1 MET 1 HE1 MET 1 6.964 -2.283 -2.373 8 HE2 MET 1 HE2 MET 1 5.765 -3.411 -1.741 9 HE3 MET 1 HE3 MET 1 5.416 -2.476 -3.196 10 H GLN 2 H GLN 2 0.361 -0.630 -2.502 11 HA GLN 2 HA GLN 2 -0.869 0.418 -4.909 12 HB2 GLN 2 HB2 GLN 2 -2.277 -1.571 -4.818 13 HB3 GLN 2 HB3 GLN 2 -0.583 -2.006 -4.638 14 HG2 GLN 2 HG2 GLN 2 -1.062 -3.082 -2.773 15 HG3 GLN 2 HG3 GLN 2 -1.621 -1.576 -2.048 16 HE21 GLN 2 HE21 GLN 2 -3.878 -0.962 -2.542 17 HE22 GLN 2 HE22 GLN 2 -5.056 -2.222 -2.644 18 H TYR 3 H TYR 3 -2.755 1.501 -5.039 19 HA TYR 3 HA TYR 3 -4.298 1.877 -2.559 20 HB2 TYR 3 HB2 TYR 3 -4.523 4.196 -2.943 21 HB3 TYR 3 HB3 TYR 3 -2.820 3.854 -3.226 22 HD1 TYR 3 HD1 TYR 3 -2.107 3.464 -5.682 23 HD2 TYR 3 HD2 TYR 3 -5.770 5.315 -4.559 24 HE1 TYR 3 HE1 TYR 3 -2.271 4.481 -7.915 25 HE2 TYR 3 HE2 TYR 3 -5.945 6.336 -6.790 26 HH TYR 3 HH TYR 3 -3.593 5.612 -9.331 27 H LYS 4 H LYS 4 -6.538 2.557 -2.917 28 HA LYS 4 HA LYS 4 -7.592 1.501 -5.459 29 HB2 LYS 4 HB2 LYS 4 -9.470 0.631 -4.318 30 HB3 LYS 4 HB3 LYS 4 -8.081 0.191 -3.333 31 HG2 LYS 4 HG2 LYS 4 -8.741 2.541 -2.196 32 HG3 LYS 4 HG3 LYS 4 -10.328 1.995 -2.743 33 HD2 LYS 4 HD2 LYS 4 -9.943 -0.160 -1.594 34 HD3 LYS 4 HD3 LYS 4 -8.407 0.465 -0.988 35 HE2 LYS 4 HE2 LYS 4 -9.801 2.387 -0.017 36 HE3 LYS 4 HE3 LYS 4 -11.196 1.351 -0.316 37 HZ1 LYS 4 HZ1 LYS 4 -9.029 1.039 1.624 38 HZ2 LYS 4 HZ2 LYS 4 -9.697 -0.367 0.963 39 HZ3 LYS 4 HZ3 LYS 4 -10.684 0.727 1.793 40 H LEU 5 H LEU 5 -8.973 2.730 -6.616 41 HA LEU 5 HA LEU 5 -9.491 5.435 -5.623 42 HB2 LEU 5 HB2 LEU 5 -8.440 4.762 -7.937 43 HB3 LEU 5 HB3 LEU 5 -10.129 4.567 -8.402 44 HG LEU 5 HG LEU 5 -9.837 7.098 -7.129 45 HD11 LEU 5 HD11 LEU 5 -8.163 7.213 -9.535 46 HD12 LEU 5 HD12 LEU 5 -7.410 6.439 -8.142 47 HD13 LEU 5 HD13 LEU 5 -8.026 8.086 -8.009 48 HD21 LEU 5 HD21 LEU 5 -10.105 6.975 -10.054 49 HD22 LEU 5 HD22 LEU 5 -11.136 7.746 -8.847 50 HD23 LEU 5 HD23 LEU 5 -11.275 6.013 -9.149 51 H ILE 6 H ILE 6 -11.487 6.188 -5.208 52 HA ILE 6 HA ILE 6 -13.723 4.312 -5.542 53 HB ILE 6 HB ILE 6 -13.500 6.726 -3.740 54 HG12 ILE 6 HG12 ILE 6 -13.880 4.341 -2.278 55 HG13 ILE 6 HG13 ILE 6 -12.617 4.001 -3.456 56 HG21 ILE 6 HG21 ILE 6 -15.703 4.740 -4.203 57 HG22 ILE 6 HG22 ILE 6 -15.581 5.672 -2.712 58 HG23 ILE 6 HG23 ILE 6 -15.778 6.501 -4.256 59 HD11 ILE 6 HD11 ILE 6 -12.534 6.426 -1.699 60 HD12 ILE 6 HD12 ILE 6 -11.895 4.865 -1.184 61 HD13 ILE 6 HD13 ILE 6 -11.221 5.671 -2.601 62 H LEU 7 H LEU 7 -15.219 4.706 -7.026 63 HA LEU 7 HA LEU 7 -15.282 7.336 -8.308 64 HB2 LEU 7 HB2 LEU 7 -16.770 4.890 -9.209 65 HB3 LEU 7 HB3 LEU 7 -16.314 6.306 -10.154 66 HG LEU 7 HG LEU 7 -14.320 4.330 -9.058 67 HD11 LEU 7 HD11 LEU 7 -14.398 3.102 -10.994 68 HD12 LEU 7 HD12 LEU 7 -15.120 4.411 -11.928 69 HD13 LEU 7 HD13 LEU 7 -16.103 3.499 -10.782 70 HD21 LEU 7 HD21 LEU 7 -14.180 6.594 -11.035 71 HD22 LEU 7 HD22 LEU 7 -12.935 5.351 -10.907 72 HD23 LEU 7 HD23 LEU 7 -13.279 6.401 -9.531 73 H ASN 8 H ASN 8 -16.879 8.733 -7.964 74 HA ASN 8 HA ASN 8 -19.380 7.733 -6.768 75 HB2 ASN 8 HB2 ASN 8 -17.717 9.163 -5.321 76 HB3 ASN 8 HB3 ASN 8 -18.399 10.511 -6.226 77 HD21 ASN 8 HD21 ASN 8 -20.860 10.472 -6.313 78 HD22 ASN 8 HD22 ASN 8 -21.663 10.129 -4.822 79 H GLY 9 H GLY 9 -19.848 7.626 -9.179 80 HA2 GLY 9 HA2 GLY 9 -20.256 10.112 -10.562 81 HA3 GLY 9 HA3 GLY 9 -20.756 8.519 -11.109 82 H LYS 10 H LYS 10 -22.441 10.539 -11.594 83 HA LYS 10 HA LYS 10 -24.368 10.841 -9.468 84 HB2 LYS 10 HB2 LYS 10 -24.754 11.588 -12.364 85 HB3 LYS 10 HB3 LYS 10 -25.561 12.265 -10.956 86 HG2 LYS 10 HG2 LYS 10 -22.621 12.556 -11.534 87 HG3 LYS 10 HG3 LYS 10 -23.850 13.754 -11.946 88 HD2 LYS 10 HD2 LYS 10 -23.270 14.606 -9.930 89 HD3 LYS 10 HD3 LYS 10 -24.420 13.402 -9.346 90 HE2 LYS 10 HE2 LYS 10 -21.836 12.205 -9.700 91 HE3 LYS 10 HE3 LYS 10 -21.696 13.648 -8.696 92 HZ1 LYS 10 HZ1 LYS 10 -22.612 11.130 -7.946 93 HZ2 LYS 10 HZ2 LYS 10 -23.947 12.167 -7.886 94 HZ3 LYS 10 HZ3 LYS 10 -22.551 12.534 -7.003 95 H THR 11 H THR 11 -24.170 9.105 -12.546 96 HA THR 11 HA THR 11 -26.567 7.583 -11.752 97 HB THR 11 HB THR 11 -26.980 8.902 -13.773 98 HG1 THR 11 HG1 THR 11 -28.012 7.259 -14.670 99 HG21 THR 11 HG21 THR 11 -25.000 7.266 -15.298 100 HG22 THR 11 HG22 THR 11 -24.449 8.699 -14.430 101 HG23 THR 11 HG23 THR 11 -25.684 8.846 -15.679 102 H LEU 12 H LEU 12 -23.306 7.389 -11.948 103 HA LEU 12 HA LEU 12 -23.402 4.474 -12.237 104 HB2 LEU 12 HB2 LEU 12 -21.076 5.978 -13.349 105 HB3 LEU 12 HB3 LEU 12 -21.641 4.352 -13.728 106 HG LEU 12 HG LEU 12 -23.713 5.885 -14.628 107 HD11 LEU 12 HD11 LEU 12 -22.286 7.908 -14.127 108 HD12 LEU 12 HD12 LEU 12 -22.898 7.780 -15.776 109 HD13 LEU 12 HD13 LEU 12 -21.220 7.366 -15.424 110 HD21 LEU 12 HD21 LEU 12 -22.643 5.525 -16.887 111 HD22 LEU 12 HD22 LEU 12 -22.843 4.084 -15.890 112 HD23 LEU 12 HD23 LEU 12 -21.259 4.850 -16.027 113 H LYS 13 H LYS 13 -22.029 3.349 -10.910 114 HA LYS 13 HA LYS 13 -20.130 4.857 -9.270 115 HB2 LYS 13 HB2 LYS 13 -22.308 3.067 -8.180 116 HB3 LYS 13 HB3 LYS 13 -20.951 3.662 -7.232 117 HG2 LYS 13 HG2 LYS 13 -22.907 5.467 -8.631 118 HG3 LYS 13 HG3 LYS 13 -23.096 4.927 -6.962 119 HD2 LYS 13 HD2 LYS 13 -20.451 5.890 -7.243 120 HD3 LYS 13 HD3 LYS 13 -21.525 7.079 -7.984 121 HE2 LYS 13 HE2 LYS 13 -21.666 5.984 -5.179 122 HE3 LYS 13 HE3 LYS 13 -21.247 7.627 -5.662 123 HZ1 LYS 13 HZ1 LYS 13 -23.646 7.366 -6.788 124 HZ2 LYS 13 HZ2 LYS 13 -23.408 7.992 -5.235 125 HZ3 LYS 13 HZ3 LYS 13 -23.852 6.372 -5.435 126 H GLY 14 H GLY 14 -18.430 3.618 -8.405 127 HA2 GLY 14 HA2 GLY 14 -18.240 0.820 -8.517 128 HA3 GLY 14 HA3 GLY 14 -17.557 1.473 -9.999 129 H GLU 15 H GLU 15 -15.811 0.112 -8.649 130 HA GLU 15 HA GLU 15 -14.053 2.149 -7.509 131 HB2 GLU 15 HB2 GLU 15 -15.360 0.742 -5.727 132 HB3 GLU 15 HB3 GLU 15 -14.202 -0.514 -6.145 133 HG2 GLU 15 HG2 GLU 15 -12.378 0.779 -5.410 134 HG3 GLU 15 HG3 GLU 15 -13.354 2.244 -5.322 135 H THR 16 H THR 16 -11.804 1.544 -7.513 136 HA THR 16 HA THR 16 -11.085 -0.833 -9.044 137 HB THR 16 HB THR 16 -9.451 1.168 -10.136 138 HG1 THR 16 HG1 THR 16 -11.175 2.627 -9.409 139 HG21 THR 16 HG21 THR 16 -10.504 -0.986 -11.103 140 HG22 THR 16 HG22 THR 16 -10.248 0.384 -12.184 141 HG23 THR 16 HG23 THR 16 -11.857 0.057 -11.541 142 H THR 17 H THR 17 -8.710 -1.176 -9.090 143 HA THR 17 HA THR 17 -7.401 0.022 -6.735 144 HB THR 17 HB THR 17 -6.215 -2.484 -7.132 145 HG1 THR 17 HG1 THR 17 -9.002 -2.519 -7.561 146 HG21 THR 17 HG21 THR 17 -8.302 -1.658 -5.109 147 HG22 THR 17 HG22 THR 17 -6.571 -1.344 -4.986 148 HG23 THR 17 HG23 THR 17 -7.172 -3.002 -4.944 149 H THR 18 H THR 18 -5.044 0.001 -6.797 150 HA THR 18 HA THR 18 -3.837 -0.298 -9.438 151 HB THR 18 HB THR 18 -3.818 2.295 -7.888 152 HG1 THR 18 HG1 THR 18 -4.754 1.518 -10.460 153 HG21 THR 18 HG21 THR 18 -1.661 2.366 -8.608 154 HG22 THR 18 HG22 THR 18 -2.435 2.887 -10.104 155 HG23 THR 18 HG23 THR 18 -1.942 1.206 -9.905 156 H GLU 19 H GLU 19 -1.669 -0.776 -9.397 157 HA GLU 19 HA GLU 19 -0.483 -1.097 -6.719 158 HB2 GLU 19 HB2 GLU 19 0.862 -2.925 -7.702 159 HB3 GLU 19 HB3 GLU 19 -0.865 -3.239 -7.781 160 HG2 GLU 19 HG2 GLU 19 -0.774 -2.347 -10.151 161 HG3 GLU 19 HG3 GLU 19 0.980 -2.444 -10.008 162 H ALA 20 H ALA 20 1.208 0.140 -6.275 163 HA ALA 20 HA ALA 20 3.226 0.715 -8.245 164 HB1 ALA 20 HB1 ALA 20 1.102 2.559 -7.931 165 HB2 ALA 20 HB2 ALA 20 2.548 3.283 -7.225 166 HB3 ALA 20 HB3 ALA 20 2.567 2.728 -8.899 167 H VAL 21 H VAL 21 5.144 1.553 -7.340 168 HA VAL 21 HA VAL 21 5.441 0.965 -4.522 169 HB VAL 21 HB VAL 21 7.148 0.208 -6.122 170 HG11 VAL 21 HG11 VAL 21 7.660 3.153 -6.517 171 HG12 VAL 21 HG12 VAL 21 8.702 1.856 -7.105 172 HG13 VAL 21 HG13 VAL 21 7.058 2.016 -7.722 173 HG21 VAL 21 HG21 VAL 21 8.946 0.569 -4.722 174 HG22 VAL 21 HG22 VAL 21 8.506 2.249 -4.414 175 HG23 VAL 21 HG23 VAL 21 7.589 0.945 -3.659 176 H ASP 22 H ASP 22 5.087 3.741 -6.533 177 HA ASP 22 HA ASP 22 5.721 5.482 -4.240 178 HB2 ASP 22 HB2 ASP 22 6.661 5.572 -6.945 179 HB3 ASP 22 HB3 ASP 22 5.699 7.013 -6.628 180 H ALA 23 H ALA 23 4.356 7.257 -3.845 181 HA ALA 23 HA ALA 23 1.600 6.768 -4.392 182 HB1 ALA 23 HB1 ALA 23 1.336 9.037 -3.231 183 HB2 ALA 23 HB2 ALA 23 2.023 7.707 -2.296 184 HB3 ALA 23 HB3 ALA 23 3.078 8.953 -2.964 185 H ALA 24 H ALA 24 3.996 9.058 -5.596 186 HA ALA 24 HA ALA 24 2.179 10.646 -7.094 187 HB1 ALA 24 HB1 ALA 24 4.617 10.922 -8.350 188 HB2 ALA 24 HB2 ALA 24 4.023 11.897 -7.005 189 HB3 ALA 24 HB3 ALA 24 5.054 10.500 -6.693 190 H THR 25 H THR 25 4.068 7.768 -7.808 191 HA THR 25 HA THR 25 3.499 7.805 -10.620 192 HB THR 25 HB THR 25 4.565 5.575 -8.877 193 HG1 THR 25 HG1 THR 25 6.550 6.248 -10.047 194 HG21 THR 25 HG21 THR 25 3.676 5.593 -11.618 195 HG22 THR 25 HG22 THR 25 4.257 4.245 -10.640 196 HG23 THR 25 HG23 THR 25 5.403 5.248 -11.530 197 H ALA 26 H ALA 26 2.115 6.282 -7.775 198 HA ALA 26 HA ALA 26 0.430 4.451 -9.116 199 HB1 ALA 26 HB1 ALA 26 -0.281 5.654 -6.470 200 HB2 ALA 26 HB2 ALA 26 -0.517 4.004 -7.047 201 HB3 ALA 26 HB3 ALA 26 1.099 4.567 -6.620 202 H GLU 27 H GLU 27 -0.124 7.738 -7.888 203 HA GLU 27 HA GLU 27 -2.850 7.864 -8.636 204 HB2 GLU 27 HB2 GLU 27 -2.680 10.244 -8.221 205 HB3 GLU 27 HB3 GLU 27 -1.810 9.368 -6.970 206 HG2 GLU 27 HG2 GLU 27 0.302 9.850 -8.094 207 HG3 GLU 27 HG3 GLU 27 -0.569 10.728 -9.350 208 H LYS 28 H LYS 28 0.145 8.672 -10.292 209 HA LYS 28 HA LYS 28 -0.930 10.071 -12.467 210 HB2 LYS 28 HB2 LYS 28 1.609 8.801 -11.786 211 HB3 LYS 28 HB3 LYS 28 1.252 8.719 -13.506 212 HG2 LYS 28 HG2 LYS 28 0.794 11.222 -13.360 213 HG3 LYS 28 HG3 LYS 28 1.578 11.149 -11.780 214 HD2 LYS 28 HD2 LYS 28 3.629 10.450 -12.722 215 HD3 LYS 28 HD3 LYS 28 2.877 10.089 -14.278 216 HE2 LYS 28 HE2 LYS 28 2.515 12.418 -14.710 217 HE3 LYS 28 HE3 LYS 28 3.036 12.852 -13.083 218 HZ1 LYS 28 HZ1 LYS 28 5.113 12.965 -13.793 219 HZ2 LYS 28 HZ2 LYS 28 4.602 12.626 -15.370 220 HZ3 LYS 28 HZ3 LYS 28 5.065 11.365 -14.341 221 H VAL 29 H VAL 29 -0.534 6.623 -11.884 222 HA VAL 29 HA VAL 29 -1.046 5.646 -14.441 223 HB VAL 29 HB VAL 29 -1.942 4.362 -11.859 224 HG11 VAL 29 HG11 VAL 29 -0.954 2.700 -14.057 225 HG12 VAL 29 HG12 VAL 29 -2.370 2.495 -13.025 226 HG13 VAL 29 HG13 VAL 29 -2.444 3.571 -14.421 227 HG21 VAL 29 HG21 VAL 29 0.192 4.133 -11.291 228 HG22 VAL 29 HG22 VAL 29 0.499 3.272 -12.800 229 HG23 VAL 29 HG23 VAL 29 0.685 5.024 -12.731 230 H PHE 30 H PHE 30 -3.349 6.248 -11.791 231 HA PHE 30 HA PHE 30 -5.633 5.617 -13.383 232 HB2 PHE 30 HB2 PHE 30 -5.227 5.774 -10.721 233 HB3 PHE 30 HB3 PHE 30 -5.975 7.343 -10.998 234 HD1 PHE 30 HD1 PHE 30 -6.669 4.161 -9.998 235 HD2 PHE 30 HD2 PHE 30 -8.071 7.081 -12.759 236 HE1 PHE 30 HE1 PHE 30 -8.888 3.096 -9.992 237 HE2 PHE 30 HE2 PHE 30 -10.292 6.022 -12.757 238 HZ PHE 30 HZ PHE 30 -10.703 4.028 -11.372 239 H LYS 31 H LYS 31 -4.003 8.597 -12.439 240 HA LYS 31 HA LYS 31 -5.858 10.472 -13.282 241 HB2 LYS 31 HB2 LYS 31 -3.048 10.433 -12.632 242 HB3 LYS 31 HB3 LYS 31 -3.338 11.499 -14.000 243 HG2 LYS 31 HG2 LYS 31 -4.787 11.647 -11.365 244 HG3 LYS 31 HG3 LYS 31 -3.422 12.663 -11.834 245 HD2 LYS 31 HD2 LYS 31 -5.835 12.517 -13.591 246 HD3 LYS 31 HD3 LYS 31 -5.866 13.528 -12.145 247 HE2 LYS 31 HE2 LYS 31 -3.422 13.940 -13.599 248 HE3 LYS 31 HE3 LYS 31 -4.807 14.162 -14.666 249 HZ1 LYS 31 HZ1 LYS 31 -3.945 16.151 -13.308 250 HZ2 LYS 31 HZ2 LYS 31 -4.759 15.436 -12.009 251 HZ3 LYS 31 HZ3 LYS 31 -5.615 15.893 -13.394 252 H GLN 32 H GLN 32 -3.320 8.864 -15.173 253 HA GLN 32 HA GLN 32 -3.961 10.204 -17.603 254 HB2 GLN 32 HB2 GLN 32 -1.750 9.326 -17.344 255 HB3 GLN 32 HB3 GLN 32 -2.365 7.712 -17.013 256 HG2 GLN 32 HG2 GLN 32 -3.335 8.584 -19.552 257 HG3 GLN 32 HG3 GLN 32 -1.588 8.809 -19.482 258 HE21 GLN 32 HE21 GLN 32 -3.642 6.358 -17.975 259 HE22 GLN 32 HE22 GLN 32 -2.889 5.003 -18.738 260 H TYR 33 H TYR 33 -4.683 6.968 -16.329 261 HA TYR 33 HA TYR 33 -6.053 5.961 -18.531 262 HB2 TYR 33 HB2 TYR 33 -5.436 4.498 -16.728 263 HB3 TYR 33 HB3 TYR 33 -6.412 5.409 -15.582 264 HD1 TYR 33 HD1 TYR 33 -8.114 4.034 -14.833 265 HD2 TYR 33 HD2 TYR 33 -7.179 4.068 -18.984 266 HE1 TYR 33 HE1 TYR 33 -10.022 2.543 -15.269 267 HE2 TYR 33 HE2 TYR 33 -9.085 2.578 -19.431 268 HH TYR 33 HH TYR 33 -11.212 1.478 -16.807 269 H ALA 34 H ALA 34 -7.205 7.945 -15.847 270 HA ALA 34 HA ALA 34 -9.952 7.852 -16.592 271 HB1 ALA 34 HB1 ALA 34 -8.964 8.433 -14.310 272 HB2 ALA 34 HB2 ALA 34 -8.698 10.046 -14.973 273 HB3 ALA 34 HB3 ALA 34 -10.333 9.393 -14.872 274 H ASN 35 H ASN 35 -7.361 10.232 -17.087 275 HA ASN 35 HA ASN 35 -8.908 12.164 -18.407 276 HB2 ASN 35 HB2 ASN 35 -6.313 12.015 -17.570 277 HB3 ASN 35 HB3 ASN 35 -6.117 11.912 -19.317 278 HD21 ASN 35 HD21 ASN 35 -5.790 13.785 -20.244 279 HD22 ASN 35 HD22 ASN 35 -6.420 15.309 -19.728 280 H ASP 36 H ASP 36 -6.963 9.484 -19.685 281 HA ASP 36 HA ASP 36 -7.380 10.002 -22.408 282 HB2 ASP 36 HB2 ASP 36 -5.663 8.450 -21.621 283 HB3 ASP 36 HB3 ASP 36 -6.905 7.357 -21.017 284 H ASN 37 H ASN 37 -9.363 8.401 -20.019 285 HA ASN 37 HA ASN 37 -11.204 7.335 -21.974 286 HB2 ASN 37 HB2 ASN 37 -10.806 6.113 -19.890 287 HB3 ASN 37 HB3 ASN 37 -11.394 7.486 -18.958 288 HD21 ASN 37 HD21 ASN 37 -12.457 5.485 -21.692 289 HD22 ASN 37 HD22 ASN 37 -14.081 5.290 -21.135 290 H GLY 38 H GLY 38 -10.668 10.348 -20.669 291 HA2 GLY 38 HA2 GLY 38 -11.868 12.298 -21.079 292 HA3 GLY 38 HA3 GLY 38 -13.203 11.319 -21.669 293 H VAL 39 H VAL 39 -11.833 10.566 -18.587 294 HA VAL 39 HA VAL 39 -14.300 10.875 -17.246 295 HB VAL 39 HB VAL 39 -11.534 10.651 -16.050 296 HG11 VAL 39 HG11 VAL 39 -12.499 10.824 -14.060 297 HG12 VAL 39 HG12 VAL 39 -14.052 11.128 -14.841 298 HG13 VAL 39 HG13 VAL 39 -13.569 9.478 -14.449 299 HG21 VAL 39 HG21 VAL 39 -11.836 8.306 -16.002 300 HG22 VAL 39 HG22 VAL 39 -13.531 8.440 -16.473 301 HG23 VAL 39 HG23 VAL 39 -12.260 8.817 -17.636 302 H ASP 40 H ASP 40 -15.224 12.615 -16.397 303 HA ASP 40 HA ASP 40 -13.532 14.947 -15.777 304 HB2 ASP 40 HB2 ASP 40 -15.009 15.156 -17.851 305 HB3 ASP 40 HB3 ASP 40 -16.381 15.145 -16.747 306 H GLY 41 H GLY 41 -13.975 16.073 -13.911 307 HA2 GLY 41 HA2 GLY 41 -16.150 16.225 -12.340 308 HA3 GLY 41 HA3 GLY 41 -15.532 14.631 -11.935 309 H GLU 42 H GLU 42 -15.221 15.379 -9.774 310 HA GLU 42 HA GLU 42 -13.005 17.283 -9.443 311 HB2 GLU 42 HB2 GLU 42 -14.886 16.305 -7.297 312 HB3 GLU 42 HB3 GLU 42 -13.783 17.671 -7.214 313 HG2 GLU 42 HG2 GLU 42 -15.095 18.888 -8.825 314 HG3 GLU 42 HG3 GLU 42 -16.155 17.499 -9.057 315 H TRP 43 H TRP 43 -11.106 16.650 -8.611 316 HA TRP 43 HA TRP 43 -10.863 13.834 -7.800 317 HB2 TRP 43 HB2 TRP 43 -8.913 15.772 -9.028 318 HB3 TRP 43 HB3 TRP 43 -8.367 14.297 -8.235 319 HD1 TRP 43 HD1 TRP 43 -10.287 15.498 -11.326 320 HE1 TRP 43 HE1 TRP 43 -10.388 13.569 -13.028 321 HE3 TRP 43 HE3 TRP 43 -8.306 11.769 -8.445 322 HZ2 TRP 43 HZ2 TRP 43 -9.718 10.829 -13.134 323 HZ3 TRP 43 HZ3 TRP 43 -8.070 9.523 -9.421 324 HH2 TRP 43 HH2 TRP 43 -8.762 9.065 -11.717 325 H THR 44 H THR 44 -9.205 13.368 -6.129 326 HA THR 44 HA THR 44 -8.747 15.546 -4.232 327 HB THR 44 HB THR 44 -10.882 14.410 -3.578 328 HG1 THR 44 HG1 THR 44 -10.218 14.194 -1.380 329 HG21 THR 44 HG21 THR 44 -10.735 12.170 -2.577 330 HG22 THR 44 HG22 THR 44 -9.050 12.059 -3.086 331 HG23 THR 44 HG23 THR 44 -10.332 12.143 -4.293 332 H TYR 45 H TYR 45 -7.115 15.075 -2.646 333 HA TYR 45 HA TYR 45 -5.486 12.696 -3.166 334 HB2 TYR 45 HB2 TYR 45 -3.427 14.106 -3.133 335 HB3 TYR 45 HB3 TYR 45 -4.455 14.394 -4.533 336 HD1 TYR 45 HD1 TYR 45 -5.968 16.432 -4.514 337 HD2 TYR 45 HD2 TYR 45 -2.838 15.864 -1.688 338 HE1 TYR 45 HE1 TYR 45 -6.011 18.835 -3.992 339 HE2 TYR 45 HE2 TYR 45 -2.873 18.266 -1.158 340 HH TYR 45 HH TYR 45 -3.577 20.396 -2.318 341 H ASP 46 H ASP 46 -5.347 11.688 -1.283 342 HA ASP 46 HA ASP 46 -4.921 13.302 1.146 343 HB2 ASP 46 HB2 ASP 46 -6.334 10.634 1.069 344 HB3 ASP 46 HB3 ASP 46 -6.229 11.757 2.422 345 H ASP 47 H ASP 47 -2.734 13.121 1.309 346 HA ASP 47 HA ASP 47 -1.274 10.751 0.796 347 HB2 ASP 47 HB2 ASP 47 -0.633 13.323 2.220 348 HB3 ASP 47 HB3 ASP 47 0.520 11.991 2.186 349 H ALA 48 H ALA 48 -3.257 11.648 3.376 350 HA ALA 48 HA ALA 48 -1.904 10.319 5.502 351 HB1 ALA 48 HB1 ALA 48 -3.916 12.082 5.443 352 HB2 ALA 48 HB2 ALA 48 -4.844 10.593 5.628 353 HB3 ALA 48 HB3 ALA 48 -3.610 11.016 6.815 354 H THR 49 H THR 49 -4.589 9.407 3.362 355 HA THR 49 HA THR 49 -4.276 6.624 4.277 356 HB THR 49 HB THR 49 -6.570 6.241 3.413 357 HG1 THR 49 HG1 THR 49 -6.693 9.076 3.155 358 HG21 THR 49 HG21 THR 49 -7.483 6.832 5.392 359 HG22 THR 49 HG22 THR 49 -7.005 8.521 5.223 360 HG23 THR 49 HG23 THR 49 -5.839 7.327 5.791 361 H LYS 50 H LYS 50 -3.309 8.562 1.868 362 HA LYS 50 HA LYS 50 -2.738 8.314 -0.330 363 HB2 LYS 50 HB2 LYS 50 -2.425 5.404 0.414 364 HB3 LYS 50 HB3 LYS 50 -1.568 6.282 -0.847 365 HG2 LYS 50 HG2 LYS 50 0.054 6.376 0.703 366 HG3 LYS 50 HG3 LYS 50 -0.877 7.756 1.291 367 HD2 LYS 50 HD2 LYS 50 -2.004 6.348 2.909 368 HD3 LYS 50 HD3 LYS 50 -1.183 4.919 2.276 369 HE2 LYS 50 HE2 LYS 50 0.868 5.553 3.155 370 HE3 LYS 50 HE3 LYS 50 0.405 7.250 3.274 371 HZ1 LYS 50 HZ1 LYS 50 0.258 5.275 5.248 372 HZ2 LYS 50 HZ2 LYS 50 -1.324 5.746 4.882 373 HZ3 LYS 50 HZ3 LYS 50 -0.188 6.903 5.363 374 H THR 51 H THR 51 -5.531 8.176 0.138 375 HA THR 51 HA THR 51 -6.383 6.225 -1.900 376 HB THR 51 HB THR 51 -7.397 6.018 0.415 377 HG1 THR 51 HG1 THR 51 -9.302 5.407 -0.489 378 HG21 THR 51 HG21 THR 51 -7.634 8.617 0.519 379 HG22 THR 51 HG22 THR 51 -8.875 7.596 1.244 380 HG23 THR 51 HG23 THR 51 -9.146 8.325 -0.338 381 H PHE 52 H PHE 52 -7.510 6.907 -3.664 382 HA PHE 52 HA PHE 52 -7.924 9.813 -3.918 383 HB2 PHE 52 HB2 PHE 52 -7.034 7.777 -5.956 384 HB3 PHE 52 HB3 PHE 52 -7.653 9.359 -6.418 385 HD1 PHE 52 HD1 PHE 52 -5.097 7.814 -4.190 386 HD2 PHE 52 HD2 PHE 52 -6.169 11.096 -6.678 387 HE1 PHE 52 HE1 PHE 52 -2.852 8.774 -3.885 388 HE2 PHE 52 HE2 PHE 52 -3.925 12.061 -6.378 389 HZ PHE 52 HZ PHE 52 -2.263 10.899 -4.980 390 H THR 53 H THR 53 -9.726 10.519 -5.171 391 HA THR 53 HA THR 53 -11.758 8.536 -5.837 392 HB THR 53 HB THR 53 -13.493 9.481 -4.523 393 HG1 THR 53 HG1 THR 53 -13.348 11.580 -4.257 394 HG21 THR 53 HG21 THR 53 -11.060 9.404 -2.736 395 HG22 THR 53 HG22 THR 53 -11.918 7.977 -3.320 396 HG23 THR 53 HG23 THR 53 -12.735 9.126 -2.261 397 H VAL 54 H VAL 54 -13.462 9.371 -7.170 398 HA VAL 54 HA VAL 54 -12.991 12.039 -8.300 399 HB VAL 54 HB VAL 54 -11.867 10.548 -9.828 400 HG11 VAL 54 HG11 VAL 54 -12.850 8.641 -10.825 401 HG12 VAL 54 HG12 VAL 54 -13.186 8.518 -9.097 402 HG13 VAL 54 HG13 VAL 54 -14.449 9.051 -10.207 403 HG21 VAL 54 HG21 VAL 54 -13.118 11.009 -11.884 404 HG22 VAL 54 HG22 VAL 54 -14.546 11.400 -10.926 405 HG23 VAL 54 HG23 VAL 54 -13.103 12.406 -10.808 406 H THR 55 H THR 55 -14.811 13.156 -8.164 407 HA THR 55 HA THR 55 -17.373 11.717 -8.172 408 HB THR 55 HB THR 55 -18.347 13.666 -7.102 409 HG1 THR 55 HG1 THR 55 -17.297 15.432 -7.777 410 HG21 THR 55 HG21 THR 55 -16.830 13.748 -5.027 411 HG22 THR 55 HG22 THR 55 -15.818 12.590 -5.890 412 HG23 THR 55 HG23 THR 55 -17.490 12.184 -5.504 413 H GLU 56 H GLU 56 -18.768 11.953 -9.802 414 HA GLU 56 HA GLU 56 -18.291 14.132 -11.729 415 HB2 GLU 56 HB2 GLU 56 -19.536 11.498 -12.472 416 HB3 GLU 56 HB3 GLU 56 -18.821 12.709 -13.527 417 HG2 GLU 56 HG2 GLU 56 -16.607 12.182 -12.530 418 HG3 GLU 56 HG3 GLU 56 -17.375 10.869 -11.639 Start of MODEL 7 1 H MET 1 H MET 1 1.434 1.514 0.207 2 HA MET 1 HA MET 1 3.011 1.214 -1.461 3 HB2 MET 1 HB2 MET 1 3.552 -1.059 -2.284 4 HB3 MET 1 HB3 MET 1 3.753 -0.899 -0.545 5 HG2 MET 1 HG2 MET 1 1.697 -2.059 -0.140 6 HG3 MET 1 HG3 MET 1 1.324 -2.084 -1.862 7 HE1 MET 1 HE1 MET 1 2.049 -3.460 -3.471 8 HE2 MET 1 HE2 MET 1 3.031 -4.919 -3.334 9 HE3 MET 1 HE3 MET 1 1.412 -4.875 -2.634 10 H GLN 2 H GLN 2 -0.184 -0.127 -1.492 11 HA GLN 2 HA GLN 2 -0.349 0.304 -4.400 12 HB2 GLN 2 HB2 GLN 2 -2.301 -1.185 -4.367 13 HB3 GLN 2 HB3 GLN 2 -0.868 -1.985 -3.734 14 HG2 GLN 2 HG2 GLN 2 -2.517 -2.634 -2.259 15 HG3 GLN 2 HG3 GLN 2 -1.758 -1.278 -1.426 16 HE21 GLN 2 HE21 GLN 2 -4.189 -1.526 -3.999 17 HE22 GLN 2 HE22 GLN 2 -5.378 -0.559 -3.203 18 H TYR 3 H TYR 3 -2.070 1.481 -5.260 19 HA TYR 3 HA TYR 3 -3.450 3.206 -3.313 20 HB2 TYR 3 HB2 TYR 3 -2.248 3.715 -5.982 21 HB3 TYR 3 HB3 TYR 3 -3.724 4.591 -5.592 22 HD1 TYR 3 HD1 TYR 3 -3.005 6.788 -5.265 23 HD2 TYR 3 HD2 TYR 3 -0.931 3.615 -3.334 24 HE1 TYR 3 HE1 TYR 3 -1.695 8.431 -3.986 25 HE2 TYR 3 HE2 TYR 3 0.384 5.248 -2.048 26 HH TYR 3 HH TYR 3 -0.003 8.735 -2.568 27 H LYS 4 H LYS 4 -5.638 3.544 -3.473 28 HA LYS 4 HA LYS 4 -7.068 1.824 -5.394 29 HB2 LYS 4 HB2 LYS 4 -7.422 0.967 -3.190 30 HB3 LYS 4 HB3 LYS 4 -7.754 2.572 -2.552 31 HG2 LYS 4 HG2 LYS 4 -9.827 2.679 -3.776 32 HG3 LYS 4 HG3 LYS 4 -9.479 1.135 -4.559 33 HD2 LYS 4 HD2 LYS 4 -9.493 1.232 -1.586 34 HD3 LYS 4 HD3 LYS 4 -11.043 1.297 -2.428 35 HE2 LYS 4 HE2 LYS 4 -10.596 -0.785 -3.532 36 HE3 LYS 4 HE3 LYS 4 -8.946 -0.815 -2.912 37 HZ1 LYS 4 HZ1 LYS 4 -11.463 -1.160 -1.388 38 HZ2 LYS 4 HZ2 LYS 4 -9.976 -0.869 -0.637 39 HZ3 LYS 4 HZ3 LYS 4 -10.195 -2.266 -1.566 40 H LEU 5 H LEU 5 -8.457 2.773 -6.745 41 HA LEU 5 HA LEU 5 -8.952 5.640 -6.420 42 HB2 LEU 5 HB2 LEU 5 -8.068 4.377 -8.568 43 HB3 LEU 5 HB3 LEU 5 -9.792 4.137 -8.845 44 HG LEU 5 HG LEU 5 -8.940 6.066 -10.075 45 HD11 LEU 5 HD11 LEU 5 -10.793 7.314 -9.725 46 HD12 LEU 5 HD12 LEU 5 -10.567 7.364 -7.977 47 HD13 LEU 5 HD13 LEU 5 -11.250 5.926 -8.737 48 HD21 LEU 5 HD21 LEU 5 -8.546 7.641 -7.598 49 HD22 LEU 5 HD22 LEU 5 -7.759 7.780 -9.170 50 HD23 LEU 5 HD23 LEU 5 -7.268 6.511 -8.047 51 H ILE 6 H ILE 6 -10.912 6.456 -5.995 52 HA ILE 6 HA ILE 6 -13.197 4.592 -5.986 53 HB ILE 6 HB ILE 6 -12.733 6.955 -4.163 54 HG12 ILE 6 HG12 ILE 6 -13.037 4.638 -2.649 55 HG13 ILE 6 HG13 ILE 6 -12.015 4.140 -3.994 56 HG21 ILE 6 HG21 ILE 6 -14.751 6.021 -2.980 57 HG22 ILE 6 HG22 ILE 6 -15.065 6.771 -4.544 58 HG23 ILE 6 HG23 ILE 6 -15.019 5.014 -4.402 59 HD11 ILE 6 HD11 ILE 6 -10.689 4.860 -2.096 60 HD12 ILE 6 HD12 ILE 6 -10.455 5.940 -3.471 61 HD13 ILE 6 HD13 ILE 6 -11.480 6.436 -2.124 62 H LEU 7 H LEU 7 -14.511 5.030 -7.625 63 HA LEU 7 HA LEU 7 -14.785 7.793 -8.557 64 HB2 LEU 7 HB2 LEU 7 -15.889 5.310 -9.848 65 HB3 LEU 7 HB3 LEU 7 -15.689 6.905 -10.571 66 HG LEU 7 HG LEU 7 -13.159 5.820 -9.666 67 HD11 LEU 7 HD11 LEU 7 -14.865 4.158 -11.491 68 HD12 LEU 7 HD12 LEU 7 -13.928 3.652 -10.086 69 HD13 LEU 7 HD13 LEU 7 -13.103 4.122 -11.572 70 HD21 LEU 7 HD21 LEU 7 -12.423 6.911 -11.481 71 HD22 LEU 7 HD22 LEU 7 -14.044 7.605 -11.523 72 HD23 LEU 7 HD23 LEU 7 -13.656 6.207 -12.528 73 H ASN 8 H ASN 8 -16.500 8.962 -8.022 74 HA ASN 8 HA ASN 8 -18.943 7.555 -7.160 75 HB2 ASN 8 HB2 ASN 8 -17.588 8.843 -5.388 76 HB3 ASN 8 HB3 ASN 8 -18.162 10.299 -6.195 77 HD21 ASN 8 HD21 ASN 8 -20.582 10.333 -6.558 78 HD22 ASN 8 HD22 ASN 8 -21.562 9.803 -5.239 79 H GLY 9 H GLY 9 -19.303 7.733 -9.583 80 HA2 GLY 9 HA2 GLY 9 -19.919 10.334 -10.643 81 HA3 GLY 9 HA3 GLY 9 -20.218 8.789 -11.426 82 H LYS 10 H LYS 10 -22.039 10.874 -11.560 83 HA LYS 10 HA LYS 10 -24.085 10.593 -9.581 84 HB2 LYS 10 HB2 LYS 10 -24.421 11.745 -12.348 85 HB3 LYS 10 HB3 LYS 10 -25.359 12.111 -10.906 86 HG2 LYS 10 HG2 LYS 10 -22.441 12.764 -11.240 87 HG3 LYS 10 HG3 LYS 10 -23.763 13.892 -11.552 88 HD2 LYS 10 HD2 LYS 10 -23.501 14.478 -9.402 89 HD3 LYS 10 HD3 LYS 10 -24.376 12.985 -9.051 90 HE2 LYS 10 HE2 LYS 10 -21.744 12.178 -9.409 91 HE3 LYS 10 HE3 LYS 10 -21.616 13.692 -8.515 92 HZ1 LYS 10 HZ1 LYS 10 -23.346 12.712 -6.980 93 HZ2 LYS 10 HZ2 LYS 10 -21.805 12.021 -6.907 94 HZ3 LYS 10 HZ3 LYS 10 -23.050 11.225 -7.731 95 H THR 11 H THR 11 -23.588 9.362 -12.859 96 HA THR 11 HA THR 11 -25.878 7.551 -12.447 97 HB THR 11 HB THR 11 -26.295 7.517 -14.788 98 HG1 THR 11 HG1 THR 11 -24.876 8.774 -16.206 99 HG21 THR 11 HG21 THR 11 -25.646 10.393 -14.150 100 HG22 THR 11 HG22 THR 11 -27.058 9.544 -13.520 101 HG23 THR 11 HG23 THR 11 -26.877 9.789 -15.257 102 H LEU 12 H LEU 12 -22.679 7.556 -12.225 103 HA LEU 12 HA LEU 12 -22.479 4.748 -13.014 104 HB2 LEU 12 HB2 LEU 12 -20.211 6.593 -13.639 105 HB3 LEU 12 HB3 LEU 12 -20.549 4.988 -14.282 106 HG LEU 12 HG LEU 12 -22.665 6.325 -15.265 107 HD11 LEU 12 HD11 LEU 12 -20.462 8.354 -15.451 108 HD12 LEU 12 HD12 LEU 12 -21.702 8.431 -14.200 109 HD13 LEU 12 HD13 LEU 12 -22.159 8.521 -15.901 110 HD21 LEU 12 HD21 LEU 12 -20.006 6.472 -16.649 111 HD22 LEU 12 HD22 LEU 12 -21.604 6.205 -17.347 112 HD23 LEU 12 HD23 LEU 12 -20.836 4.937 -16.391 113 H LYS 13 H LYS 13 -21.264 3.523 -11.658 114 HA LYS 13 HA LYS 13 -19.559 4.848 -9.686 115 HB2 LYS 13 HB2 LYS 13 -21.847 2.992 -9.019 116 HB3 LYS 13 HB3 LYS 13 -20.568 3.405 -7.884 117 HG2 LYS 13 HG2 LYS 13 -22.377 5.423 -9.193 118 HG3 LYS 13 HG3 LYS 13 -22.659 4.716 -7.600 119 HD2 LYS 13 HD2 LYS 13 -19.966 5.808 -7.963 120 HD3 LYS 13 HD3 LYS 13 -21.252 7.011 -8.083 121 HE2 LYS 13 HE2 LYS 13 -20.350 6.702 -5.779 122 HE3 LYS 13 HE3 LYS 13 -22.087 6.433 -5.918 123 HZ1 LYS 13 HZ1 LYS 13 -20.665 4.764 -4.600 124 HZ2 LYS 13 HZ2 LYS 13 -20.214 4.167 -6.117 125 HZ3 LYS 13 HZ3 LYS 13 -21.843 4.167 -5.658 126 H GLY 14 H GLY 14 -17.952 3.510 -8.776 127 HA2 GLY 14 HA2 GLY 14 -17.732 0.740 -9.190 128 HA3 GLY 14 HA3 GLY 14 -16.891 1.561 -10.496 129 H GLU 15 H GLU 15 -15.301 0.037 -9.123 130 HA GLU 15 HA GLU 15 -13.629 1.912 -7.662 131 HB2 GLU 15 HB2 GLU 15 -15.088 0.813 -5.954 132 HB3 GLU 15 HB3 GLU 15 -14.406 -0.735 -6.430 133 HG2 GLU 15 HG2 GLU 15 -12.485 -0.381 -5.325 134 HG3 GLU 15 HG3 GLU 15 -12.444 1.334 -5.729 135 H THR 16 H THR 16 -11.473 1.489 -7.852 136 HA THR 16 HA THR 16 -10.636 -1.069 -9.004 137 HB THR 16 HB THR 16 -9.141 1.073 -10.235 138 HG1 THR 16 HG1 THR 16 -10.728 2.129 -11.288 139 HG21 THR 16 HG21 THR 16 -9.245 -1.285 -10.984 140 HG22 THR 16 HG22 THR 16 -9.661 -0.145 -12.265 141 HG23 THR 16 HG23 THR 16 -10.932 -1.041 -11.434 142 H THR 17 H THR 17 -8.298 -1.409 -8.888 143 HA THR 17 HA THR 17 -6.861 0.325 -7.026 144 HB THR 17 HB THR 17 -7.762 -1.229 -5.476 145 HG1 THR 17 HG1 THR 17 -5.403 -0.879 -5.442 146 HG21 THR 17 HG21 THR 17 -7.287 -3.181 -7.655 147 HG22 THR 17 HG22 THR 17 -8.624 -3.063 -6.510 148 HG23 THR 17 HG23 THR 17 -7.089 -3.767 -6.004 149 H THR 18 H THR 18 -4.604 0.147 -7.136 150 HA THR 18 HA THR 18 -3.468 -1.709 -9.084 151 HB THR 18 HB THR 18 -4.037 0.377 -10.333 152 HG1 THR 18 HG1 THR 18 -1.223 0.051 -10.091 153 HG21 THR 18 HG21 THR 18 -3.350 1.762 -8.174 154 HG22 THR 18 HG22 THR 18 -3.219 2.444 -9.795 155 HG23 THR 18 HG23 THR 18 -1.790 1.790 -8.994 156 H GLU 19 H GLU 19 -1.310 -2.191 -8.747 157 HA GLU 19 HA GLU 19 -0.202 -1.190 -6.217 158 HB2 GLU 19 HB2 GLU 19 0.554 -3.682 -7.751 159 HB3 GLU 19 HB3 GLU 19 1.133 -3.222 -6.156 160 HG2 GLU 19 HG2 GLU 19 -0.482 -4.764 -5.642 161 HG3 GLU 19 HG3 GLU 19 -1.381 -3.253 -5.518 162 H ALA 20 H ALA 20 1.466 0.152 -6.281 163 HA ALA 20 HA ALA 20 3.370 -0.021 -8.503 164 HB1 ALA 20 HB1 ALA 20 1.522 1.821 -8.741 165 HB2 ALA 20 HB2 ALA 20 2.538 2.692 -7.591 166 HB3 ALA 20 HB3 ALA 20 3.202 2.177 -9.142 167 H VAL 21 H VAL 21 5.443 0.908 -8.049 168 HA VAL 21 HA VAL 21 6.230 0.554 -5.310 169 HB VAL 21 HB VAL 21 8.500 0.987 -6.085 170 HG11 VAL 21 HG11 VAL 21 8.004 -1.239 -6.405 171 HG12 VAL 21 HG12 VAL 21 6.765 -0.900 -7.615 172 HG13 VAL 21 HG13 VAL 21 8.472 -0.752 -8.033 173 HG21 VAL 21 HG21 VAL 21 8.129 1.164 -8.893 174 HG22 VAL 21 HG22 VAL 21 7.168 2.433 -8.136 175 HG23 VAL 21 HG23 VAL 21 8.898 2.326 -7.812 176 H ASP 22 H ASP 22 5.247 3.196 -7.234 177 HA ASP 22 HA ASP 22 6.172 5.063 -5.152 178 HB2 ASP 22 HB2 ASP 22 6.750 5.100 -7.952 179 HB3 ASP 22 HB3 ASP 22 5.742 6.493 -7.569 180 H ALA 23 H ALA 23 4.779 6.787 -4.632 181 HA ALA 23 HA ALA 23 2.007 6.139 -4.776 182 HB1 ALA 23 HB1 ALA 23 1.819 8.492 -3.704 183 HB2 ALA 23 HB2 ALA 23 2.582 7.186 -2.796 184 HB3 ALA 23 HB3 ALA 23 3.577 8.397 -3.604 185 H ALA 24 H ALA 24 4.082 8.503 -6.372 186 HA ALA 24 HA ALA 24 1.981 9.918 -7.665 187 HB1 ALA 24 HB1 ALA 24 4.461 10.049 -9.119 188 HB2 ALA 24 HB2 ALA 24 3.628 11.307 -8.205 189 HB3 ALA 24 HB3 ALA 24 4.746 10.217 -7.386 190 H THR 25 H THR 25 4.083 7.240 -8.621 191 HA THR 25 HA THR 25 3.272 7.094 -11.315 192 HB THR 25 HB THR 25 4.250 4.824 -9.572 193 HG1 THR 25 HG1 THR 25 5.846 6.377 -11.320 194 HG21 THR 25 HG21 THR 25 3.580 5.066 -12.409 195 HG22 THR 25 HG22 THR 25 3.798 3.625 -11.416 196 HG23 THR 25 HG23 THR 25 5.199 4.433 -12.118 197 H ALA 26 H ALA 26 2.063 5.496 -8.394 198 HA ALA 26 HA ALA 26 0.163 3.860 -9.713 199 HB1 ALA 26 HB1 ALA 26 0.129 2.967 -7.684 200 HB2 ALA 26 HB2 ALA 26 1.003 4.351 -7.025 201 HB3 ALA 26 HB3 ALA 26 -0.759 4.376 -7.104 202 H GLU 27 H GLU 27 -0.085 7.016 -8.103 203 HA GLU 27 HA GLU 27 -2.872 7.316 -8.503 204 HB2 GLU 27 HB2 GLU 27 -1.767 8.616 -6.806 205 HB3 GLU 27 HB3 GLU 27 -0.693 9.343 -7.993 206 HG2 GLU 27 HG2 GLU 27 -3.490 9.773 -8.626 207 HG3 GLU 27 HG3 GLU 27 -3.048 10.408 -7.042 208 H LYS 28 H LYS 28 -0.045 8.223 -10.393 209 HA LYS 28 HA LYS 28 -1.316 9.869 -12.275 210 HB2 LYS 28 HB2 LYS 28 1.225 8.334 -12.163 211 HB3 LYS 28 HB3 LYS 28 0.670 8.840 -13.753 212 HG2 LYS 28 HG2 LYS 28 0.414 11.170 -12.594 213 HG3 LYS 28 HG3 LYS 28 1.565 10.490 -11.442 214 HD2 LYS 28 HD2 LYS 28 3.263 10.733 -12.869 215 HD3 LYS 28 HD3 LYS 28 2.357 9.979 -14.182 216 HE2 LYS 28 HE2 LYS 28 2.671 12.095 -15.022 217 HE3 LYS 28 HE3 LYS 28 1.104 12.275 -14.234 218 HZ1 LYS 28 HZ1 LYS 28 2.489 13.024 -12.228 219 HZ2 LYS 28 HZ2 LYS 28 2.291 14.108 -13.511 220 HZ3 LYS 28 HZ3 LYS 28 3.741 13.252 -13.343 221 H VAL 29 H VAL 29 -0.883 6.372 -12.142 222 HA VAL 29 HA VAL 29 -1.748 5.733 -14.724 223 HB VAL 29 HB VAL 29 -2.085 4.120 -12.192 224 HG11 VAL 29 HG11 VAL 29 -2.644 3.552 -15.045 225 HG12 VAL 29 HG12 VAL 29 -1.883 2.270 -14.100 226 HG13 VAL 29 HG13 VAL 29 -3.432 2.941 -13.590 227 HG21 VAL 29 HG21 VAL 29 0.078 3.596 -12.304 228 HG22 VAL 29 HG22 VAL 29 -0.012 3.282 -14.037 229 HG23 VAL 29 HG23 VAL 29 0.249 4.925 -13.451 230 H PHE 30 H PHE 30 -3.594 6.012 -11.699 231 HA PHE 30 HA PHE 30 -6.096 5.319 -12.769 232 HB2 PHE 30 HB2 PHE 30 -5.267 6.918 -10.357 233 HB3 PHE 30 HB3 PHE 30 -6.964 6.683 -10.762 234 HD1 PHE 30 HD1 PHE 30 -7.131 3.954 -11.632 235 HD2 PHE 30 HD2 PHE 30 -4.773 5.639 -8.515 236 HE1 PHE 30 HE1 PHE 30 -7.105 1.780 -10.480 237 HE2 PHE 30 HE2 PHE 30 -4.742 3.468 -7.359 238 HZ PHE 30 HZ PHE 30 -5.908 1.534 -8.342 239 H LYS 31 H LYS 31 -4.695 8.531 -12.132 240 HA LYS 31 HA LYS 31 -6.809 10.040 -13.170 241 HB2 LYS 31 HB2 LYS 31 -4.498 10.647 -11.909 242 HB3 LYS 31 HB3 LYS 31 -4.072 11.105 -13.553 243 HG2 LYS 31 HG2 LYS 31 -6.616 12.070 -12.310 244 HG3 LYS 31 HG3 LYS 31 -5.080 12.878 -11.985 245 HD2 LYS 31 HD2 LYS 31 -6.164 12.361 -14.751 246 HD3 LYS 31 HD3 LYS 31 -6.397 13.870 -13.865 247 HE2 LYS 31 HE2 LYS 31 -3.651 13.299 -13.734 248 HE3 LYS 31 HE3 LYS 31 -4.135 12.985 -15.399 249 HZ1 LYS 31 HZ1 LYS 31 -4.687 15.496 -13.913 250 HZ2 LYS 31 HZ2 LYS 31 -5.062 15.192 -15.534 251 HZ3 LYS 31 HZ3 LYS 31 -3.446 15.291 -15.045 252 H GLN 32 H GLN 32 -3.968 8.651 -14.740 253 HA GLN 32 HA GLN 32 -4.302 9.886 -17.248 254 HB2 GLN 32 HB2 GLN 32 -2.208 8.832 -16.668 255 HB3 GLN 32 HB3 GLN 32 -2.994 7.269 -16.494 256 HG2 GLN 32 HG2 GLN 32 -3.540 8.262 -19.099 257 HG3 GLN 32 HG3 GLN 32 -1.809 8.402 -18.794 258 HE21 GLN 32 HE21 GLN 32 -4.188 6.015 -17.709 259 HE22 GLN 32 HE22 GLN 32 -3.385 4.646 -18.391 260 H TYR 33 H TYR 33 -5.393 6.735 -16.024 261 HA TYR 33 HA TYR 33 -6.696 5.985 -18.440 262 HB2 TYR 33 HB2 TYR 33 -5.938 4.336 -16.773 263 HB3 TYR 33 HB3 TYR 33 -7.121 4.954 -15.626 264 HD1 TYR 33 HD1 TYR 33 -9.295 4.090 -15.590 265 HD2 TYR 33 HD2 TYR 33 -6.815 3.347 -18.967 266 HE1 TYR 33 HE1 TYR 33 -10.972 2.520 -16.469 267 HE2 TYR 33 HE2 TYR 33 -8.486 1.775 -19.855 268 HH TYR 33 HH TYR 33 -11.647 1.507 -18.525 269 H ALA 34 H ALA 34 -7.625 7.826 -15.642 270 HA ALA 34 HA ALA 34 -10.437 7.659 -15.981 271 HB1 ALA 34 HB1 ALA 34 -10.605 9.200 -14.268 272 HB2 ALA 34 HB2 ALA 34 -9.043 8.451 -13.938 273 HB3 ALA 34 HB3 ALA 34 -9.116 10.027 -14.725 274 H ASN 35 H ASN 35 -8.041 10.103 -16.950 275 HA ASN 35 HA ASN 35 -9.895 11.826 -18.211 276 HB2 ASN 35 HB2 ASN 35 -8.072 13.105 -18.817 277 HB3 ASN 35 HB3 ASN 35 -7.389 12.196 -17.472 278 HD21 ASN 35 HD21 ASN 35 -5.524 11.241 -17.824 279 HD22 ASN 35 HD22 ASN 35 -4.869 10.825 -19.368 280 H ASP 36 H ASP 36 -8.040 9.065 -19.324 281 HA ASP 36 HA ASP 36 -8.356 9.382 -22.083 282 HB2 ASP 36 HB2 ASP 36 -6.868 7.712 -20.923 283 HB3 ASP 36 HB3 ASP 36 -8.306 6.744 -20.610 284 H ASN 37 H ASN 37 -10.631 8.539 -19.655 285 HA ASN 37 HA ASN 37 -12.511 7.414 -21.586 286 HB2 ASN 37 HB2 ASN 37 -12.037 7.001 -18.828 287 HB3 ASN 37 HB3 ASN 37 -13.637 7.723 -18.962 288 HD21 ASN 37 HD21 ASN 37 -11.608 5.113 -20.181 289 HD22 ASN 37 HD22 ASN 37 -12.902 4.013 -20.499 290 H GLY 38 H GLY 38 -11.655 10.411 -20.408 291 HA2 GLY 38 HA2 GLY 38 -12.610 12.467 -20.905 292 HA3 GLY 38 HA3 GLY 38 -14.014 11.627 -21.545 293 H VAL 39 H VAL 39 -12.887 10.843 -18.368 294 HA VAL 39 HA VAL 39 -15.373 11.441 -17.170 295 HB VAL 39 HB VAL 39 -13.779 9.745 -16.299 296 HG11 VAL 39 HG11 VAL 39 -11.910 11.725 -16.478 297 HG12 VAL 39 HG12 VAL 39 -12.241 11.691 -14.745 298 HG13 VAL 39 HG13 VAL 39 -11.713 10.225 -15.572 299 HG21 VAL 39 HG21 VAL 39 -15.254 11.714 -14.764 300 HG22 VAL 39 HG22 VAL 39 -15.170 9.963 -14.568 301 HG23 VAL 39 HG23 VAL 39 -13.941 10.992 -13.832 302 H ASP 40 H ASP 40 -16.124 13.203 -16.144 303 HA ASP 40 HA ASP 40 -14.267 15.450 -15.719 304 HB2 ASP 40 HB2 ASP 40 -15.833 15.697 -17.722 305 HB3 ASP 40 HB3 ASP 40 -17.145 15.803 -16.551 306 H GLY 41 H GLY 41 -14.541 16.650 -13.867 307 HA2 GLY 41 HA2 GLY 41 -16.628 16.973 -12.196 308 HA3 GLY 41 HA3 GLY 41 -16.068 15.363 -11.768 309 H GLU 42 H GLU 42 -15.156 15.627 -9.818 310 HA GLU 42 HA GLU 42 -12.953 17.569 -9.625 311 HB2 GLU 42 HB2 GLU 42 -15.185 18.092 -8.348 312 HB3 GLU 42 HB3 GLU 42 -14.593 16.884 -7.216 313 HG2 GLU 42 HG2 GLU 42 -12.426 18.574 -7.674 314 HG3 GLU 42 HG3 GLU 42 -13.825 19.637 -7.532 315 H TRP 43 H TRP 43 -11.177 16.948 -8.379 316 HA TRP 43 HA TRP 43 -11.082 14.071 -7.752 317 HB2 TRP 43 HB2 TRP 43 -9.001 15.971 -8.801 318 HB3 TRP 43 HB3 TRP 43 -8.531 14.486 -7.979 319 HD1 TRP 43 HD1 TRP 43 -10.251 15.715 -11.180 320 HE1 TRP 43 HE1 TRP 43 -10.253 13.795 -12.894 321 HE3 TRP 43 HE3 TRP 43 -8.450 11.968 -8.205 322 HZ2 TRP 43 HZ2 TRP 43 -9.581 11.055 -12.974 323 HZ3 TRP 43 HZ3 TRP 43 -8.159 9.727 -9.177 324 HH2 TRP 43 HH2 TRP 43 -8.714 9.281 -11.513 325 H THR 44 H THR 44 -10.433 13.406 -5.770 326 HA THR 44 HA THR 44 -9.774 15.511 -3.814 327 HB THR 44 HB THR 44 -10.817 12.905 -2.847 328 HG1 THR 44 HG1 THR 44 -12.465 14.873 -4.094 329 HG21 THR 44 HG21 THR 44 -11.800 14.249 -1.142 330 HG22 THR 44 HG22 THR 44 -11.552 15.726 -2.075 331 HG23 THR 44 HG23 THR 44 -10.168 14.866 -1.400 332 H TYR 45 H TYR 45 -8.202 15.079 -2.238 333 HA TYR 45 HA TYR 45 -6.576 12.667 -2.653 334 HB2 TYR 45 HB2 TYR 45 -4.550 14.183 -2.240 335 HB3 TYR 45 HB3 TYR 45 -5.316 14.277 -3.822 336 HD1 TYR 45 HD1 TYR 45 -6.737 16.227 -4.393 337 HD2 TYR 45 HD2 TYR 45 -4.523 16.060 -0.764 338 HE1 TYR 45 HE1 TYR 45 -7.013 18.656 -4.120 339 HE2 TYR 45 HE2 TYR 45 -4.793 18.488 -0.480 340 HH TYR 45 HH TYR 45 -5.885 20.517 -2.961 341 H ASP 46 H ASP 46 -6.614 11.580 -0.809 342 HA ASP 46 HA ASP 46 -6.752 13.060 1.724 343 HB2 ASP 46 HB2 ASP 46 -7.248 10.118 1.224 344 HB3 ASP 46 HB3 ASP 46 -7.541 10.990 2.726 345 H ASP 47 H ASP 47 -4.685 13.560 2.250 346 HA ASP 47 HA ASP 47 -2.447 11.901 1.797 347 HB2 ASP 47 HB2 ASP 47 -1.230 13.445 3.234 348 HB3 ASP 47 HB3 ASP 47 -2.293 14.343 2.154 349 H ALA 48 H ALA 48 -4.938 11.705 4.074 350 HA ALA 48 HA ALA 48 -3.497 10.568 6.252 351 HB1 ALA 48 HB1 ALA 48 -5.460 11.197 7.124 352 HB2 ALA 48 HB2 ALA 48 -6.294 11.082 5.574 353 HB3 ALA 48 HB3 ALA 48 -6.045 9.635 6.550 354 H THR 49 H THR 49 -5.387 9.195 3.579 355 HA THR 49 HA THR 49 -4.303 6.543 4.266 356 HB THR 49 HB THR 49 -6.175 5.624 2.888 357 HG1 THR 49 HG1 THR 49 -6.439 7.896 1.897 358 HG21 THR 49 HG21 THR 49 -6.192 6.405 5.494 359 HG22 THR 49 HG22 THR 49 -7.490 5.499 4.716 360 HG23 THR 49 HG23 THR 49 -7.608 7.251 4.873 361 H LYS 50 H LYS 50 -3.553 8.999 2.358 362 HA LYS 50 HA LYS 50 -2.544 9.290 0.332 363 HB2 LYS 50 HB2 LYS 50 -1.630 6.434 0.614 364 HB3 LYS 50 HB3 LYS 50 -0.786 7.776 -0.147 365 HG2 LYS 50 HG2 LYS 50 -1.334 7.502 2.802 366 HG3 LYS 50 HG3 LYS 50 0.204 7.167 2.002 367 HD2 LYS 50 HD2 LYS 50 0.249 9.526 1.224 368 HD3 LYS 50 HD3 LYS 50 -1.212 9.827 2.167 369 HE2 LYS 50 HE2 LYS 50 0.732 10.541 3.415 370 HE3 LYS 50 HE3 LYS 50 -0.004 9.147 4.204 371 HZ1 LYS 50 HZ1 LYS 50 1.781 7.868 3.799 372 HZ2 LYS 50 HZ2 LYS 50 2.597 9.344 3.675 373 HZ3 LYS 50 HZ3 LYS 50 2.079 8.544 2.277 374 H THR 51 H THR 51 -5.218 8.592 0.075 375 HA THR 51 HA THR 51 -5.164 6.988 -2.396 376 HB THR 51 HB THR 51 -6.294 5.812 -0.475 377 HG1 THR 51 HG1 THR 51 -7.637 4.944 -1.905 378 HG21 THR 51 HG21 THR 51 -7.404 8.207 0.099 379 HG22 THR 51 HG22 THR 51 -8.088 6.664 0.611 380 HG23 THR 51 HG23 THR 51 -8.708 7.470 -0.829 381 H PHE 52 H PHE 52 -6.241 7.793 -4.136 382 HA PHE 52 HA PHE 52 -7.389 10.479 -3.821 383 HB2 PHE 52 HB2 PHE 52 -5.963 9.095 -6.059 384 HB3 PHE 52 HB3 PHE 52 -7.091 10.394 -6.435 385 HD1 PHE 52 HD1 PHE 52 -5.956 12.313 -6.957 386 HD2 PHE 52 HD2 PHE 52 -4.551 9.901 -3.745 387 HE1 PHE 52 HE1 PHE 52 -4.203 13.973 -6.482 388 HE2 PHE 52 HE2 PHE 52 -2.797 11.557 -3.263 389 HZ PHE 52 HZ PHE 52 -2.621 13.597 -4.632 390 H THR 53 H THR 53 -9.250 11.041 -5.146 391 HA THR 53 HA THR 53 -10.878 8.814 -6.094 392 HB THR 53 HB THR 53 -12.807 9.356 -4.790 393 HG1 THR 53 HG1 THR 53 -11.419 11.689 -4.335 394 HG21 THR 53 HG21 THR 53 -10.512 9.420 -2.838 395 HG22 THR 53 HG22 THR 53 -10.976 7.969 -3.728 396 HG23 THR 53 HG23 THR 53 -12.114 8.720 -2.609 397 H VAL 54 H VAL 54 -12.657 9.468 -7.426 398 HA VAL 54 HA VAL 54 -12.562 12.269 -8.323 399 HB VAL 54 HB VAL 54 -11.302 11.022 -9.959 400 HG11 VAL 54 HG11 VAL 54 -13.096 8.947 -9.345 401 HG12 VAL 54 HG12 VAL 54 -13.330 9.321 -11.054 402 HG13 VAL 54 HG13 VAL 54 -11.726 8.900 -10.454 403 HG21 VAL 54 HG21 VAL 54 -12.374 11.776 -11.871 404 HG22 VAL 54 HG22 VAL 54 -13.976 11.367 -11.259 405 HG23 VAL 54 HG23 VAL 54 -13.114 12.761 -10.608 406 H THR 55 H THR 55 -14.495 13.167 -8.129 407 HA THR 55 HA THR 55 -16.880 11.450 -8.357 408 HB THR 55 HB THR 55 -16.545 14.015 -6.789 409 HG1 THR 55 HG1 THR 55 -15.733 11.772 -6.054 410 HG21 THR 55 HG21 THR 55 -18.912 12.543 -7.692 411 HG22 THR 55 HG22 THR 55 -18.764 14.198 -7.099 412 HG23 THR 55 HG23 THR 55 -18.881 12.858 -5.957 413 H GLU 56 H GLU 56 -18.554 12.072 -9.663 414 HA GLU 56 HA GLU 56 -18.123 14.500 -11.277 415 HB2 GLU 56 HB2 GLU 56 -19.592 12.077 -12.281 416 HB3 GLU 56 HB3 GLU 56 -18.901 13.402 -13.207 417 HG2 GLU 56 HG2 GLU 56 -16.661 12.631 -12.677 418 HG3 GLU 56 HG3 GLU 56 -17.328 11.329 -11.695 Start of MODEL 8 1 H MET 1 H MET 1 0.769 0.336 0.569 2 HA MET 1 HA MET 1 2.498 1.003 -0.836 3 HB2 MET 1 HB2 MET 1 3.547 -0.613 -2.393 4 HB3 MET 1 HB3 MET 1 3.618 -1.139 -0.716 5 HG2 MET 1 HG2 MET 1 2.545 -3.014 -1.187 6 HG3 MET 1 HG3 MET 1 1.239 -2.135 -1.979 7 HE1 MET 1 HE1 MET 1 5.213 -3.111 -3.900 8 HE2 MET 1 HE2 MET 1 4.822 -3.011 -2.183 9 HE3 MET 1 HE3 MET 1 4.543 -4.513 -3.066 10 H GLN 2 H GLN 2 -0.322 -0.767 -1.818 11 HA GLN 2 HA GLN 2 -0.392 0.656 -4.383 12 HB2 GLN 2 HB2 GLN 2 -2.255 -0.916 -4.928 13 HB3 GLN 2 HB3 GLN 2 -0.716 -1.710 -4.619 14 HG2 GLN 2 HG2 GLN 2 -1.637 -2.951 -3.043 15 HG3 GLN 2 HG3 GLN 2 -2.154 -1.510 -2.169 16 HE21 GLN 2 HE21 GLN 2 -4.085 -0.407 -3.438 17 HE22 GLN 2 HE22 GLN 2 -5.391 -1.484 -3.784 18 H TYR 3 H TYR 3 -2.144 1.928 -4.983 19 HA TYR 3 HA TYR 3 -3.827 2.822 -2.740 20 HB2 TYR 3 HB2 TYR 3 -2.952 4.293 -5.232 21 HB3 TYR 3 HB3 TYR 3 -4.077 4.937 -4.041 22 HD1 TYR 3 HD1 TYR 3 -1.091 5.694 -5.070 23 HD2 TYR 3 HD2 TYR 3 -2.786 4.066 -1.522 24 HE1 TYR 3 HE1 TYR 3 0.801 6.576 -3.768 25 HE2 TYR 3 HE2 TYR 3 -0.899 4.945 -0.211 26 HH TYR 3 HH TYR 3 0.926 6.228 -0.243 27 H LYS 4 H LYS 4 -6.018 3.534 -3.278 28 HA LYS 4 HA LYS 4 -7.146 2.063 -5.568 29 HB2 LYS 4 HB2 LYS 4 -7.787 0.834 -3.638 30 HB3 LYS 4 HB3 LYS 4 -8.179 2.298 -2.746 31 HG2 LYS 4 HG2 LYS 4 -10.127 2.672 -4.055 32 HG3 LYS 4 HG3 LYS 4 -9.676 1.402 -5.196 33 HD2 LYS 4 HD2 LYS 4 -10.087 0.777 -2.294 34 HD3 LYS 4 HD3 LYS 4 -11.463 0.895 -3.393 35 HE2 LYS 4 HE2 LYS 4 -10.829 -0.960 -4.599 36 HE3 LYS 4 HE3 LYS 4 -9.127 -0.788 -4.170 37 HZ1 LYS 4 HZ1 LYS 4 -10.138 -1.275 -1.784 38 HZ2 LYS 4 HZ2 LYS 4 -9.649 -2.512 -2.830 39 HZ3 LYS 4 HZ3 LYS 4 -11.285 -2.099 -2.716 40 H LEU 5 H LEU 5 -8.553 3.137 -6.844 41 HA LEU 5 HA LEU 5 -9.016 5.959 -6.221 42 HB2 LEU 5 HB2 LEU 5 -8.038 5.012 -8.440 43 HB3 LEU 5 HB3 LEU 5 -9.723 4.667 -8.823 44 HG LEU 5 HG LEU 5 -8.952 6.768 -9.825 45 HD11 LEU 5 HD11 LEU 5 -11.317 6.300 -8.594 46 HD12 LEU 5 HD12 LEU 5 -10.958 7.737 -9.551 47 HD13 LEU 5 HD13 LEU 5 -10.811 7.788 -7.794 48 HD21 LEU 5 HD21 LEU 5 -8.933 8.379 -7.445 49 HD22 LEU 5 HD22 LEU 5 -7.722 8.250 -8.720 50 HD23 LEU 5 HD23 LEU 5 -7.688 7.133 -7.355 51 H ILE 6 H ILE 6 -10.932 6.659 -5.559 52 HA ILE 6 HA ILE 6 -13.234 4.850 -5.763 53 HB ILE 6 HB ILE 6 -12.925 7.308 -4.035 54 HG12 ILE 6 HG12 ILE 6 -13.036 5.112 -2.370 55 HG13 ILE 6 HG13 ILE 6 -12.037 4.537 -3.701 56 HG21 ILE 6 HG21 ILE 6 -15.215 5.932 -4.804 57 HG22 ILE 6 HG22 ILE 6 -14.860 5.343 -3.181 58 HG23 ILE 6 HG23 ILE 6 -15.062 7.071 -3.467 59 HD11 ILE 6 HD11 ILE 6 -11.100 5.865 -1.554 60 HD12 ILE 6 HD12 ILE 6 -10.310 5.844 -3.131 61 HD13 ILE 6 HD13 ILE 6 -11.345 7.199 -2.680 62 H LEU 7 H LEU 7 -14.501 5.211 -7.458 63 HA LEU 7 HA LEU 7 -14.801 7.945 -8.473 64 HB2 LEU 7 HB2 LEU 7 -15.745 5.392 -9.757 65 HB3 LEU 7 HB3 LEU 7 -15.597 6.981 -10.506 66 HG LEU 7 HG LEU 7 -13.074 5.934 -9.458 67 HD11 LEU 7 HD11 LEU 7 -14.776 4.197 -11.025 68 HD12 LEU 7 HD12 LEU 7 -13.236 3.858 -10.236 69 HD13 LEU 7 HD13 LEU 7 -13.262 4.557 -11.855 70 HD21 LEU 7 HD21 LEU 7 -13.276 6.510 -12.294 71 HD22 LEU 7 HD22 LEU 7 -12.268 7.261 -11.056 72 HD23 LEU 7 HD23 LEU 7 -13.927 7.812 -11.298 73 H ASN 8 H ASN 8 -16.703 9.013 -8.435 74 HA ASN 8 HA ASN 8 -19.057 7.567 -7.413 75 HB2 ASN 8 HB2 ASN 8 -17.763 9.342 -5.904 76 HB3 ASN 8 HB3 ASN 8 -18.749 10.473 -6.826 77 HD21 ASN 8 HD21 ASN 8 -21.107 9.357 -7.101 78 HD22 ASN 8 HD22 ASN 8 -21.831 8.985 -5.577 79 H GLY 9 H GLY 9 -19.659 7.296 -9.653 80 HA2 GLY 9 HA2 GLY 9 -20.194 9.628 -11.264 81 HA3 GLY 9 HA3 GLY 9 -20.575 7.963 -11.675 82 H LYS 10 H LYS 10 -22.227 10.331 -11.998 83 HA LYS 10 HA LYS 10 -24.295 10.162 -9.989 84 HB2 LYS 10 HB2 LYS 10 -24.469 11.584 -12.642 85 HB3 LYS 10 HB3 LYS 10 -25.382 11.917 -11.176 86 HG2 LYS 10 HG2 LYS 10 -22.407 12.290 -11.445 87 HG3 LYS 10 HG3 LYS 10 -23.603 13.572 -11.656 88 HD2 LYS 10 HD2 LYS 10 -24.299 13.406 -9.386 89 HD3 LYS 10 HD3 LYS 10 -23.379 11.919 -9.147 90 HE2 LYS 10 HE2 LYS 10 -22.228 13.802 -8.134 91 HE3 LYS 10 HE3 LYS 10 -21.294 13.166 -9.488 92 HZ1 LYS 10 HZ1 LYS 10 -22.447 15.764 -9.129 93 HZ2 LYS 10 HZ2 LYS 10 -22.858 15.080 -10.620 94 HZ3 LYS 10 HZ3 LYS 10 -21.231 15.262 -10.193 95 H THR 11 H THR 11 -23.558 8.643 -12.973 96 HA THR 11 HA THR 11 -26.301 7.596 -13.186 97 HB THR 11 HB THR 11 -25.693 8.598 -15.252 98 HG1 THR 11 HG1 THR 11 -25.870 6.827 -16.601 99 HG21 THR 11 HG21 THR 11 -23.507 8.917 -15.625 100 HG22 THR 11 HG22 THR 11 -23.496 7.279 -16.278 101 HG23 THR 11 HG23 THR 11 -23.051 7.560 -14.595 102 H LEU 12 H LEU 12 -23.055 6.777 -12.451 103 HA LEU 12 HA LEU 12 -23.824 4.077 -11.805 104 HB2 LEU 12 HB2 LEU 12 -21.647 3.345 -13.144 105 HB3 LEU 12 HB3 LEU 12 -23.257 3.335 -13.861 106 HG LEU 12 HG LEU 12 -22.807 5.443 -14.973 107 HD11 LEU 12 HD11 LEU 12 -20.325 6.193 -14.891 108 HD12 LEU 12 HD12 LEU 12 -20.303 5.345 -13.345 109 HD13 LEU 12 HD13 LEU 12 -21.423 6.682 -13.601 110 HD21 LEU 12 HD21 LEU 12 -21.172 3.045 -15.370 111 HD22 LEU 12 HD22 LEU 12 -20.514 4.505 -16.109 112 HD23 LEU 12 HD23 LEU 12 -22.142 3.964 -16.521 113 H LYS 13 H LYS 13 -22.492 3.138 -10.285 114 HA LYS 13 HA LYS 13 -20.355 4.875 -9.244 115 HB2 LYS 13 HB2 LYS 13 -22.239 2.959 -7.892 116 HB3 LYS 13 HB3 LYS 13 -20.749 3.475 -7.113 117 HG2 LYS 13 HG2 LYS 13 -22.860 5.372 -8.111 118 HG3 LYS 13 HG3 LYS 13 -22.776 4.766 -6.455 119 HD2 LYS 13 HD2 LYS 13 -20.290 5.929 -7.547 120 HD3 LYS 13 HD3 LYS 13 -21.618 7.056 -7.261 121 HE2 LYS 13 HE2 LYS 13 -20.713 5.084 -5.182 122 HE3 LYS 13 HE3 LYS 13 -19.971 6.674 -5.350 123 HZ1 LYS 13 HZ1 LYS 13 -21.636 7.558 -4.217 124 HZ2 LYS 13 HZ2 LYS 13 -22.298 6.020 -3.979 125 HZ3 LYS 13 HZ3 LYS 13 -22.773 6.948 -5.311 126 H GLY 14 H GLY 14 -18.387 3.962 -8.579 127 HA2 GLY 14 HA2 GLY 14 -17.770 1.228 -8.592 128 HA3 GLY 14 HA3 GLY 14 -17.405 1.870 -10.186 129 H GLU 15 H GLU 15 -15.293 0.894 -9.060 130 HA GLU 15 HA GLU 15 -13.704 3.230 -8.388 131 HB2 GLU 15 HB2 GLU 15 -12.871 2.473 -6.338 132 HB3 GLU 15 HB3 GLU 15 -14.593 2.136 -6.236 133 HG2 GLU 15 HG2 GLU 15 -13.559 -0.173 -7.323 134 HG3 GLU 15 HG3 GLU 15 -12.331 0.323 -6.159 135 H THR 16 H THR 16 -11.469 2.949 -8.744 136 HA THR 16 HA THR 16 -10.742 0.460 -10.145 137 HB THR 16 HB THR 16 -9.097 2.419 -11.230 138 HG1 THR 16 HG1 THR 16 -10.550 4.039 -11.901 139 HG21 THR 16 HG21 THR 16 -10.569 0.398 -12.166 140 HG22 THR 16 HG22 THR 16 -9.924 1.661 -13.214 141 HG23 THR 16 HG23 THR 16 -11.599 1.737 -12.670 142 H THR 17 H THR 17 -8.964 -0.518 -9.420 143 HA THR 17 HA THR 17 -7.106 1.035 -7.738 144 HB THR 17 HB THR 17 -8.254 -0.429 -6.254 145 HG1 THR 17 HG1 THR 17 -5.864 -1.824 -6.911 146 HG21 THR 17 HG21 THR 17 -7.644 -2.661 -8.197 147 HG22 THR 17 HG22 THR 17 -9.229 -1.943 -7.908 148 HG23 THR 17 HG23 THR 17 -8.424 -2.848 -6.627 149 H THR 18 H THR 18 -4.909 0.573 -7.908 150 HA THR 18 HA THR 18 -4.052 -1.399 -9.883 151 HB THR 18 HB THR 18 -4.359 0.746 -11.119 152 HG1 THR 18 HG1 THR 18 -2.667 0.196 -12.283 153 HG21 THR 18 HG21 THR 18 -3.307 2.694 -10.567 154 HG22 THR 18 HG22 THR 18 -1.936 1.871 -9.824 155 HG23 THR 18 HG23 THR 18 -3.460 2.010 -8.949 156 H GLU 19 H GLU 19 -1.950 -2.134 -9.602 157 HA GLU 19 HA GLU 19 -0.715 -1.350 -7.056 158 HB2 GLU 19 HB2 GLU 19 0.441 -3.516 -7.153 159 HB3 GLU 19 HB3 GLU 19 -1.305 -3.707 -7.227 160 HG2 GLU 19 HG2 GLU 19 -0.977 -4.998 -8.995 161 HG3 GLU 19 HG3 GLU 19 -0.545 -3.536 -9.878 162 H ALA 20 H ALA 20 1.070 -0.169 -7.091 163 HA ALA 20 HA ALA 20 2.851 -0.357 -9.428 164 HB1 ALA 20 HB1 ALA 20 3.240 2.205 -8.691 165 HB2 ALA 20 HB2 ALA 20 2.096 1.704 -9.936 166 HB3 ALA 20 HB3 ALA 20 1.531 2.020 -8.296 167 H VAL 21 H VAL 21 5.071 0.101 -9.023 168 HA VAL 21 HA VAL 21 5.946 -0.795 -6.438 169 HB VAL 21 HB VAL 21 8.223 -0.580 -7.356 170 HG11 VAL 21 HG11 VAL 21 6.816 -2.594 -7.763 171 HG12 VAL 21 HG12 VAL 21 6.368 -1.908 -9.326 172 HG13 VAL 21 HG13 VAL 21 8.050 -2.322 -8.992 173 HG21 VAL 21 HG21 VAL 21 7.655 1.441 -8.759 174 HG22 VAL 21 HG22 VAL 21 8.660 0.222 -9.543 175 HG23 VAL 21 HG23 VAL 21 6.941 0.326 -9.924 176 H ASP 22 H ASP 22 5.384 2.242 -7.913 177 HA ASP 22 HA ASP 22 6.667 3.580 -5.627 178 HB2 ASP 22 HB2 ASP 22 7.660 3.780 -8.138 179 HB3 ASP 22 HB3 ASP 22 6.506 5.110 -8.153 180 H ALA 23 H ALA 23 5.646 5.470 -4.873 181 HA ALA 23 HA ALA 23 2.805 5.442 -5.104 182 HB1 ALA 23 HB1 ALA 23 3.031 7.572 -3.692 183 HB2 ALA 23 HB2 ALA 23 3.596 6.052 -2.996 184 HB3 ALA 23 HB3 ALA 23 4.756 7.203 -3.660 185 H ALA 24 H ALA 24 5.370 7.515 -6.356 186 HA ALA 24 HA ALA 24 3.768 9.579 -7.373 187 HB1 ALA 24 HB1 ALA 24 6.096 9.023 -9.016 188 HB2 ALA 24 HB2 ALA 24 5.716 10.437 -8.032 189 HB3 ALA 24 HB3 ALA 24 6.471 9.025 -7.292 190 H THR 25 H THR 25 4.781 6.503 -8.780 191 HA THR 25 HA THR 25 3.749 6.993 -11.376 192 HB THR 25 HB THR 25 3.888 4.204 -10.327 193 HG1 THR 25 HG1 THR 25 6.263 5.572 -11.031 194 HG21 THR 25 HG21 THR 25 4.405 5.650 -12.885 195 HG22 THR 25 HG22 THR 25 3.478 4.178 -12.590 196 HG23 THR 25 HG23 THR 25 5.241 4.127 -12.584 197 H ALA 26 H ALA 26 2.418 5.437 -8.491 198 HA ALA 26 HA ALA 26 0.062 4.430 -9.606 199 HB1 ALA 26 HB1 ALA 26 0.929 3.889 -7.344 200 HB2 ALA 26 HB2 ALA 26 0.400 5.482 -6.801 201 HB3 ALA 26 HB3 ALA 26 -0.785 4.303 -7.362 202 H GLU 27 H GLU 27 0.729 7.595 -8.140 203 HA GLU 27 HA GLU 27 -1.864 8.633 -8.288 204 HB2 GLU 27 HB2 GLU 27 -0.080 9.695 -6.991 205 HB3 GLU 27 HB3 GLU 27 0.777 10.092 -8.474 206 HG2 GLU 27 HG2 GLU 27 -1.008 11.573 -9.152 207 HG3 GLU 27 HG3 GLU 27 -1.950 11.124 -7.731 208 H LYS 28 H LYS 28 0.781 8.684 -10.637 209 HA LYS 28 HA LYS 28 -0.525 10.308 -12.549 210 HB2 LYS 28 HB2 LYS 28 1.730 8.317 -12.779 211 HB3 LYS 28 HB3 LYS 28 1.162 9.272 -14.142 212 HG2 LYS 28 HG2 LYS 28 1.615 11.315 -12.704 213 HG3 LYS 28 HG3 LYS 28 2.488 10.224 -11.625 214 HD2 LYS 28 HD2 LYS 28 4.247 10.094 -13.007 215 HD3 LYS 28 HD3 LYS 28 3.222 9.908 -14.433 216 HE2 LYS 28 HE2 LYS 28 3.341 12.580 -13.137 217 HE3 LYS 28 HE3 LYS 28 4.746 12.047 -14.059 218 HZ1 LYS 28 HZ1 LYS 28 2.849 11.467 -15.788 219 HZ2 LYS 28 HZ2 LYS 28 3.568 12.996 -15.722 220 HZ3 LYS 28 HZ3 LYS 28 2.068 12.735 -14.985 221 H VAL 29 H VAL 29 -0.402 6.821 -12.035 222 HA VAL 29 HA VAL 29 -1.656 6.022 -14.417 223 HB VAL 29 HB VAL 29 -1.738 4.677 -11.713 224 HG11 VAL 29 HG11 VAL 29 -3.371 3.529 -12.817 225 HG12 VAL 29 HG12 VAL 29 -2.697 3.880 -14.410 226 HG13 VAL 29 HG13 VAL 29 -1.959 2.644 -13.392 227 HG21 VAL 29 HG21 VAL 29 0.363 4.034 -12.050 228 HG22 VAL 29 HG22 VAL 29 -0.017 3.459 -13.673 229 HG23 VAL 29 HG23 VAL 29 0.429 5.146 -13.418 230 H PHE 30 H PHE 30 -2.967 7.013 -11.296 231 HA PHE 30 HA PHE 30 -5.656 6.329 -11.816 232 HB2 PHE 30 HB2 PHE 30 -4.496 8.416 -9.959 233 HB3 PHE 30 HB3 PHE 30 -6.177 7.894 -9.951 234 HD1 PHE 30 HD1 PHE 30 -5.941 5.004 -10.270 235 HD2 PHE 30 HD2 PHE 30 -3.600 7.702 -7.954 236 HE1 PHE 30 HE1 PHE 30 -5.365 3.175 -8.727 237 HE2 PHE 30 HE2 PHE 30 -3.020 5.877 -6.409 238 HZ PHE 30 HZ PHE 30 -3.902 3.610 -6.794 239 H LYS 31 H LYS 31 -3.968 9.459 -12.019 240 HA LYS 31 HA LYS 31 -6.155 10.899 -13.058 241 HB2 LYS 31 HB2 LYS 31 -3.314 11.361 -12.588 242 HB3 LYS 31 HB3 LYS 31 -3.900 12.184 -14.028 243 HG2 LYS 31 HG2 LYS 31 -5.155 12.414 -11.301 244 HG3 LYS 31 HG3 LYS 31 -4.003 13.565 -11.981 245 HD2 LYS 31 HD2 LYS 31 -6.581 12.837 -13.352 246 HD3 LYS 31 HD3 LYS 31 -6.455 14.167 -12.199 247 HE2 LYS 31 HE2 LYS 31 -4.468 14.078 -14.396 248 HE3 LYS 31 HE3 LYS 31 -6.126 14.496 -14.826 249 HZ1 LYS 31 HZ1 LYS 31 -4.256 15.934 -13.061 250 HZ2 LYS 31 HZ2 LYS 31 -5.925 16.140 -12.876 251 HZ3 LYS 31 HZ3 LYS 31 -5.182 16.530 -14.345 252 H GLN 32 H GLN 32 -3.457 9.231 -14.634 253 HA GLN 32 HA GLN 32 -4.089 10.013 -17.270 254 HB2 GLN 32 HB2 GLN 32 -1.901 9.156 -16.791 255 HB3 GLN 32 HB3 GLN 32 -2.565 7.641 -16.194 256 HG2 GLN 32 HG2 GLN 32 -3.463 8.054 -18.866 257 HG3 GLN 32 HG3 GLN 32 -1.715 8.271 -18.803 258 HE21 GLN 32 HE21 GLN 32 -3.843 6.148 -16.939 259 HE22 GLN 32 HE22 GLN 32 -3.088 4.672 -17.425 260 H TYR 33 H TYR 33 -4.902 7.098 -15.411 261 HA TYR 33 HA TYR 33 -6.327 5.802 -17.467 262 HB2 TYR 33 HB2 TYR 33 -5.472 4.735 -15.356 263 HB3 TYR 33 HB3 TYR 33 -6.797 5.511 -14.495 264 HD1 TYR 33 HD1 TYR 33 -5.801 2.710 -16.514 265 HD2 TYR 33 HD2 TYR 33 -9.169 4.918 -15.141 266 HE1 TYR 33 HE1 TYR 33 -7.264 0.812 -17.069 267 HE2 TYR 33 HE2 TYR 33 -10.641 3.026 -15.692 268 HH TYR 33 HH TYR 33 -10.474 1.007 -17.416 269 H ALA 34 H ALA 34 -7.310 8.084 -14.968 270 HA ALA 34 HA ALA 34 -10.106 7.883 -15.500 271 HB1 ALA 34 HB1 ALA 34 -9.869 8.734 -13.421 272 HB2 ALA 34 HB2 ALA 34 -8.364 9.566 -13.813 273 HB3 ALA 34 HB3 ALA 34 -9.910 10.269 -14.288 274 H ASN 35 H ASN 35 -7.537 10.085 -16.533 275 HA ASN 35 HA ASN 35 -9.111 11.976 -17.852 276 HB2 ASN 35 HB2 ASN 35 -6.851 12.550 -17.524 277 HB3 ASN 35 HB3 ASN 35 -6.274 11.049 -18.242 278 HD21 ASN 35 HD21 ASN 35 -5.304 11.401 -20.091 279 HD22 ASN 35 HD22 ASN 35 -5.777 12.547 -21.294 280 H ASP 36 H ASP 36 -7.638 8.986 -19.071 281 HA ASP 36 HA ASP 36 -8.511 9.273 -21.739 282 HB2 ASP 36 HB2 ASP 36 -6.715 7.704 -20.901 283 HB3 ASP 36 HB3 ASP 36 -8.004 6.662 -20.305 284 H ASN 37 H ASN 37 -10.093 8.183 -18.854 285 HA ASN 37 HA ASN 37 -12.257 6.874 -20.244 286 HB2 ASN 37 HB2 ASN 37 -11.246 6.678 -17.700 287 HB3 ASN 37 HB3 ASN 37 -12.707 7.625 -17.439 288 HD21 ASN 37 HD21 ASN 37 -11.601 4.748 -19.193 289 HD22 ASN 37 HD22 ASN 37 -13.016 3.806 -18.882 290 H GLY 38 H GLY 38 -11.434 10.050 -19.684 291 HA2 GLY 38 HA2 GLY 38 -12.596 11.984 -20.183 292 HA3 GLY 38 HA3 GLY 38 -13.993 10.992 -20.573 293 H VAL 39 H VAL 39 -12.489 10.591 -17.488 294 HA VAL 39 HA VAL 39 -14.870 11.176 -16.083 295 HB VAL 39 HB VAL 39 -12.081 11.068 -14.930 296 HG11 VAL 39 HG11 VAL 39 -14.773 10.518 -13.684 297 HG12 VAL 39 HG12 VAL 39 -13.207 10.401 -12.878 298 HG13 VAL 39 HG13 VAL 39 -13.801 11.967 -13.432 299 HG21 VAL 39 HG21 VAL 39 -13.611 9.018 -16.221 300 HG22 VAL 39 HG22 VAL 39 -12.000 8.924 -15.509 301 HG23 VAL 39 HG23 VAL 39 -13.423 8.634 -14.509 302 H ASP 40 H ASP 40 -15.711 13.091 -15.633 303 HA ASP 40 HA ASP 40 -13.895 15.364 -15.180 304 HB2 ASP 40 HB2 ASP 40 -15.111 15.418 -17.412 305 HB3 ASP 40 HB3 ASP 40 -16.601 15.611 -16.493 306 H GLY 41 H GLY 41 -14.481 16.828 -13.584 307 HA2 GLY 41 HA2 GLY 41 -16.691 17.411 -12.268 308 HA3 GLY 41 HA3 GLY 41 -16.420 15.785 -11.659 309 H GLU 42 H GLU 42 -15.783 16.032 -9.610 310 HA GLU 42 HA GLU 42 -13.625 17.963 -9.067 311 HB2 GLU 42 HB2 GLU 42 -15.859 18.351 -7.936 312 HB3 GLU 42 HB3 GLU 42 -15.573 16.864 -7.042 313 HG2 GLU 42 HG2 GLU 42 -13.756 17.770 -5.885 314 HG3 GLU 42 HG3 GLU 42 -13.597 19.115 -7.014 315 H TRP 43 H TRP 43 -11.824 17.297 -7.974 316 HA TRP 43 HA TRP 43 -11.633 14.405 -7.435 317 HB2 TRP 43 HB2 TRP 43 -9.682 16.352 -8.612 318 HB3 TRP 43 HB3 TRP 43 -9.085 14.938 -7.748 319 HD1 TRP 43 HD1 TRP 43 -11.081 15.892 -10.891 320 HE1 TRP 43 HE1 TRP 43 -11.024 13.904 -12.524 321 HE3 TRP 43 HE3 TRP 43 -8.781 12.447 -7.895 322 HZ2 TRP 43 HZ2 TRP 43 -10.123 11.229 -12.540 323 HZ3 TRP 43 HZ3 TRP 43 -8.358 10.196 -8.795 324 HH2 TRP 43 HH2 TRP 43 -9.017 9.602 -11.070 325 H THR 44 H THR 44 -10.877 13.729 -5.494 326 HA THR 44 HA THR 44 -10.103 15.817 -3.561 327 HB THR 44 HB THR 44 -11.213 13.279 -2.512 328 HG1 THR 44 HG1 THR 44 -12.887 15.267 -3.688 329 HG21 THR 44 HG21 THR 44 -11.440 16.207 -1.836 330 HG22 THR 44 HG22 THR 44 -10.619 14.939 -0.925 331 HG23 THR 44 HG23 THR 44 -12.380 14.960 -1.017 332 H TYR 45 H TYR 45 -8.436 15.377 -2.129 333 HA TYR 45 HA TYR 45 -6.989 12.848 -2.513 334 HB2 TYR 45 HB2 TYR 45 -5.577 15.503 -2.281 335 HB3 TYR 45 HB3 TYR 45 -4.889 13.944 -2.723 336 HD1 TYR 45 HD1 TYR 45 -4.981 13.145 -4.973 337 HD2 TYR 45 HD2 TYR 45 -7.003 16.730 -3.893 338 HE1 TYR 45 HE1 TYR 45 -5.316 13.666 -7.353 339 HE2 TYR 45 HE2 TYR 45 -7.344 17.260 -6.270 340 HH TYR 45 HH TYR 45 -6.353 15.011 -8.816 341 H ASP 46 H ASP 46 -6.965 11.863 -0.612 342 HA ASP 46 HA ASP 46 -6.799 13.485 1.835 343 HB2 ASP 46 HB2 ASP 46 -7.620 10.587 1.554 344 HB3 ASP 46 HB3 ASP 46 -7.720 11.570 3.012 345 H ASP 47 H ASP 47 -4.656 13.794 2.175 346 HA ASP 47 HA ASP 47 -2.641 11.880 1.680 347 HB2 ASP 47 HB2 ASP 47 -2.645 14.304 3.489 348 HB3 ASP 47 HB3 ASP 47 -1.209 13.369 3.081 349 H ALA 48 H ALA 48 -4.956 12.095 4.133 350 HA ALA 48 HA ALA 48 -3.475 10.949 6.281 351 HB1 ALA 48 HB1 ALA 48 -5.765 12.241 6.254 352 HB2 ALA 48 HB2 ALA 48 -6.427 10.614 6.093 353 HB3 ALA 48 HB3 ALA 48 -5.422 11.023 7.483 354 H THR 49 H THR 49 -5.690 9.623 3.845 355 HA THR 49 HA THR 49 -4.850 6.916 4.650 356 HB THR 49 HB THR 49 -6.901 6.159 3.378 357 HG1 THR 49 HG1 THR 49 -7.796 8.831 3.653 358 HG21 THR 49 HG21 THR 49 -7.134 7.886 5.834 359 HG22 THR 49 HG22 THR 49 -7.037 6.128 5.739 360 HG23 THR 49 HG23 THR 49 -8.492 6.962 5.193 361 H LYS 50 H LYS 50 -3.947 9.139 2.543 362 HA LYS 50 HA LYS 50 -3.038 9.186 0.451 363 HB2 LYS 50 HB2 LYS 50 -2.456 6.261 0.885 364 HB3 LYS 50 HB3 LYS 50 -1.516 7.429 -0.034 365 HG2 LYS 50 HG2 LYS 50 -1.878 7.452 2.956 366 HG3 LYS 50 HG3 LYS 50 -0.459 6.848 2.096 367 HD2 LYS 50 HD2 LYS 50 -0.154 9.107 1.116 368 HD3 LYS 50 HD3 LYS 50 -1.499 9.681 2.104 369 HE2 LYS 50 HE2 LYS 50 -0.296 9.164 4.125 370 HE3 LYS 50 HE3 LYS 50 1.007 8.414 3.203 371 HZ1 LYS 50 HZ1 LYS 50 1.957 10.377 2.876 372 HZ2 LYS 50 HZ2 LYS 50 0.878 11.027 4.005 373 HZ3 LYS 50 HZ3 LYS 50 0.514 11.090 2.354 374 H THR 51 H THR 51 -5.816 8.723 0.458 375 HA THR 51 HA THR 51 -6.102 7.004 -1.921 376 HB THR 51 HB THR 51 -7.240 6.092 0.121 377 HG1 THR 51 HG1 THR 51 -8.499 5.263 -1.352 378 HG21 THR 51 HG21 THR 51 -8.801 7.234 1.291 379 HG22 THR 51 HG22 THR 51 -9.442 8.033 -0.145 380 HG23 THR 51 HG23 THR 51 -7.979 8.645 0.627 381 H PHE 52 H PHE 52 -7.178 7.823 -3.653 382 HA PHE 52 HA PHE 52 -7.978 10.644 -3.471 383 HB2 PHE 52 HB2 PHE 52 -7.428 9.107 -6.007 384 HB3 PHE 52 HB3 PHE 52 -7.495 10.853 -5.792 385 HD1 PHE 52 HD1 PHE 52 -5.828 11.247 -3.423 386 HD2 PHE 52 HD2 PHE 52 -5.288 8.657 -6.757 387 HE1 PHE 52 HE1 PHE 52 -3.394 11.296 -3.063 388 HE2 PHE 52 HE2 PHE 52 -2.854 8.702 -6.402 389 HZ PHE 52 HZ PHE 52 -1.904 10.022 -4.552 390 H THR 53 H THR 53 -9.798 11.318 -4.876 391 HA THR 53 HA THR 53 -11.755 9.235 -5.460 392 HB THR 53 HB THR 53 -12.552 11.602 -3.767 393 HG1 THR 53 HG1 THR 53 -12.692 9.868 -2.097 394 HG21 THR 53 HG21 THR 53 -14.559 10.226 -3.350 395 HG22 THR 53 HG22 THR 53 -13.929 9.003 -4.454 396 HG23 THR 53 HG23 THR 53 -14.352 10.604 -5.060 397 H VAL 54 H VAL 54 -13.399 9.882 -6.904 398 HA VAL 54 HA VAL 54 -13.268 12.581 -8.003 399 HB VAL 54 HB VAL 54 -11.667 11.421 -9.386 400 HG11 VAL 54 HG11 VAL 54 -12.583 9.133 -8.874 401 HG12 VAL 54 HG12 VAL 54 -13.811 9.434 -10.105 402 HG13 VAL 54 HG13 VAL 54 -12.105 9.400 -10.550 403 HG21 VAL 54 HG21 VAL 54 -14.163 11.509 -11.044 404 HG22 VAL 54 HG22 VAL 54 -13.460 12.980 -10.373 405 HG23 VAL 54 HG23 VAL 54 -12.522 11.981 -11.484 406 H THR 55 H THR 55 -15.276 13.300 -8.173 407 HA THR 55 HA THR 55 -17.447 11.352 -8.579 408 HB THR 55 HB THR 55 -17.545 14.092 -7.303 409 HG1 THR 55 HG1 THR 55 -17.907 12.921 -5.416 410 HG21 THR 55 HG21 THR 55 -19.612 12.545 -8.540 411 HG22 THR 55 HG22 THR 55 -19.732 14.105 -7.726 412 HG23 THR 55 HG23 THR 55 -19.897 12.613 -6.802 413 H GLU 56 H GLU 56 -18.666 11.472 -10.359 414 HA GLU 56 HA GLU 56 -18.141 13.656 -12.235 415 HB2 GLU 56 HB2 GLU 56 -19.768 11.203 -12.842 416 HB3 GLU 56 HB3 GLU 56 -18.885 12.238 -13.955 417 HG2 GLU 56 HG2 GLU 56 -16.770 11.425 -12.997 418 HG3 GLU 56 HG3 GLU 56 -17.686 10.340 -11.952 Start of MODEL 9 1 H MET 1 H MET 1 1.414 -0.465 1.542 2 HA MET 1 HA MET 1 2.510 1.095 -0.120 3 HB2 MET 1 HB2 MET 1 3.453 -0.756 -1.544 4 HB3 MET 1 HB3 MET 1 3.596 -1.002 0.191 5 HG2 MET 1 HG2 MET 1 1.508 -2.401 0.047 6 HG3 MET 1 HG3 MET 1 1.673 -2.312 -1.705 7 HE1 MET 1 HE1 MET 1 3.806 -5.149 -2.542 8 HE2 MET 1 HE2 MET 1 2.335 -4.212 -2.805 9 HE3 MET 1 HE3 MET 1 3.914 -3.458 -3.032 10 H GLN 2 H GLN 2 -0.400 -0.545 -0.988 11 HA GLN 2 HA GLN 2 -0.331 0.698 -3.656 12 HB2 GLN 2 HB2 GLN 2 -2.048 -0.952 -4.298 13 HB3 GLN 2 HB3 GLN 2 -0.559 -1.718 -3.759 14 HG2 GLN 2 HG2 GLN 2 -2.246 -2.977 -2.774 15 HG3 GLN 2 HG3 GLN 2 -1.687 -1.915 -1.482 16 HE21 GLN 2 HE21 GLN 2 -3.916 -1.473 -4.207 17 HE22 GLN 2 HE22 GLN 2 -5.250 -0.936 -3.251 18 H TYR 3 H TYR 3 -2.150 1.826 -4.406 19 HA TYR 3 HA TYR 3 -3.922 2.784 -2.259 20 HB2 TYR 3 HB2 TYR 3 -4.270 4.714 -3.983 21 HB3 TYR 3 HB3 TYR 3 -2.804 4.675 -3.011 22 HD1 TYR 3 HD1 TYR 3 -4.201 4.165 -6.369 23 HD2 TYR 3 HD2 TYR 3 -0.655 4.240 -4.018 24 HE1 TYR 3 HE1 TYR 3 -2.848 4.212 -8.422 25 HE2 TYR 3 HE2 TYR 3 0.708 4.289 -6.065 26 HH TYR 3 HH TYR 3 -0.787 4.097 -9.273 27 H LYS 4 H LYS 4 -6.124 3.396 -2.916 28 HA LYS 4 HA LYS 4 -7.138 1.666 -5.077 29 HB2 LYS 4 HB2 LYS 4 -7.807 0.713 -2.976 30 HB3 LYS 4 HB3 LYS 4 -8.354 2.275 -2.381 31 HG2 LYS 4 HG2 LYS 4 -10.122 2.285 -4.089 32 HG3 LYS 4 HG3 LYS 4 -9.590 0.689 -4.623 33 HD2 LYS 4 HD2 LYS 4 -10.039 0.802 -1.755 34 HD3 LYS 4 HD3 LYS 4 -11.484 1.225 -2.677 35 HE2 LYS 4 HE2 LYS 4 -11.029 -0.869 -4.047 36 HE3 LYS 4 HE3 LYS 4 -9.865 -1.307 -2.798 37 HZ1 LYS 4 HZ1 LYS 4 -12.574 -1.793 -2.780 38 HZ2 LYS 4 HZ2 LYS 4 -12.349 -0.555 -1.650 39 HZ3 LYS 4 HZ3 LYS 4 -11.496 -2.007 -1.493 40 H LEU 5 H LEU 5 -8.572 2.527 -6.498 41 HA LEU 5 HA LEU 5 -9.018 5.410 -6.309 42 HB2 LEU 5 HB2 LEU 5 -8.069 4.129 -8.362 43 HB3 LEU 5 HB3 LEU 5 -9.758 3.731 -8.670 44 HG LEU 5 HG LEU 5 -9.129 5.617 -10.018 45 HD11 LEU 5 HD11 LEU 5 -11.379 5.510 -8.760 46 HD12 LEU 5 HD12 LEU 5 -10.908 7.024 -9.533 47 HD13 LEU 5 HD13 LEU 5 -10.720 6.828 -7.791 48 HD21 LEU 5 HD21 LEU 5 -8.626 7.787 -8.588 49 HD22 LEU 5 HD22 LEU 5 -7.340 6.698 -9.109 50 HD23 LEU 5 HD23 LEU 5 -7.970 6.596 -7.465 51 H ILE 6 H ILE 6 -10.915 6.214 -5.719 52 HA ILE 6 HA ILE 6 -13.254 4.432 -5.715 53 HB ILE 6 HB ILE 6 -12.791 6.970 -4.143 54 HG12 ILE 6 HG12 ILE 6 -13.183 4.685 -2.497 55 HG13 ILE 6 HG13 ILE 6 -11.961 4.270 -3.693 56 HG21 ILE 6 HG21 ILE 6 -15.106 5.061 -4.273 57 HG22 ILE 6 HG22 ILE 6 -14.839 6.126 -2.894 58 HG23 ILE 6 HG23 ILE 6 -15.110 6.810 -4.497 59 HD11 ILE 6 HD11 ILE 6 -11.879 6.657 -1.864 60 HD12 ILE 6 HD12 ILE 6 -10.974 5.159 -1.653 61 HD13 ILE 6 HD13 ILE 6 -10.644 6.201 -3.037 62 H LEU 7 H LEU 7 -14.689 4.740 -7.272 63 HA LEU 7 HA LEU 7 -14.806 7.333 -8.627 64 HB2 LEU 7 HB2 LEU 7 -15.541 4.543 -9.356 65 HB3 LEU 7 HB3 LEU 7 -16.408 5.868 -10.131 66 HG LEU 7 HG LEU 7 -13.424 5.426 -10.222 67 HD11 LEU 7 HD11 LEU 7 -13.961 5.058 -12.679 68 HD12 LEU 7 HD12 LEU 7 -15.637 4.853 -12.169 69 HD13 LEU 7 HD13 LEU 7 -14.391 3.761 -11.564 70 HD21 LEU 7 HD21 LEU 7 -13.289 7.555 -10.832 71 HD22 LEU 7 HD22 LEU 7 -15.040 7.738 -10.737 72 HD23 LEU 7 HD23 LEU 7 -14.292 7.180 -12.234 73 H ASN 8 H ASN 8 -16.430 8.703 -8.305 74 HA ASN 8 HA ASN 8 -18.929 7.671 -7.137 75 HB2 ASN 8 HB2 ASN 8 -17.295 9.078 -5.632 76 HB3 ASN 8 HB3 ASN 8 -17.976 10.441 -6.515 77 HD21 ASN 8 HD21 ASN 8 -20.486 10.209 -6.707 78 HD22 ASN 8 HD22 ASN 8 -21.287 9.893 -5.209 79 H GLY 9 H GLY 9 -19.361 7.617 -9.554 80 HA2 GLY 9 HA2 GLY 9 -19.798 10.166 -10.841 81 HA3 GLY 9 HA3 GLY 9 -20.180 8.582 -11.500 82 H LYS 10 H LYS 10 -21.936 10.599 -11.906 83 HA LYS 10 HA LYS 10 -23.983 10.597 -9.871 84 HB2 LYS 10 HB2 LYS 10 -24.169 11.648 -12.697 85 HB3 LYS 10 HB3 LYS 10 -25.199 12.072 -11.335 86 HG2 LYS 10 HG2 LYS 10 -22.247 12.636 -11.395 87 HG3 LYS 10 HG3 LYS 10 -23.466 13.774 -11.976 88 HD2 LYS 10 HD2 LYS 10 -23.597 14.526 -9.880 89 HD3 LYS 10 HD3 LYS 10 -24.390 13.001 -9.476 90 HE2 LYS 10 HE2 LYS 10 -21.451 12.905 -9.583 91 HE3 LYS 10 HE3 LYS 10 -22.124 13.911 -8.301 92 HZ1 LYS 10 HZ1 LYS 10 -22.033 11.068 -8.508 93 HZ2 LYS 10 HZ2 LYS 10 -23.609 11.616 -8.232 94 HZ3 LYS 10 HZ3 LYS 10 -22.368 12.036 -7.162 95 H THR 11 H THR 11 -23.524 9.186 -13.082 96 HA THR 11 HA THR 11 -25.903 7.511 -12.604 97 HB THR 11 HB THR 11 -26.208 8.997 -14.532 98 HG1 THR 11 HG1 THR 11 -25.774 6.342 -15.459 99 HG21 THR 11 HG21 THR 11 -23.608 8.859 -15.003 100 HG22 THR 11 HG22 THR 11 -24.759 9.175 -16.301 101 HG23 THR 11 HG23 THR 11 -24.110 7.552 -16.074 102 H LEU 12 H LEU 12 -22.641 7.436 -12.531 103 HA LEU 12 HA LEU 12 -22.594 4.562 -13.108 104 HB2 LEU 12 HB2 LEU 12 -20.261 6.280 -13.852 105 HB3 LEU 12 HB3 LEU 12 -20.662 4.652 -14.398 106 HG LEU 12 HG LEU 12 -22.753 6.132 -15.377 107 HD11 LEU 12 HD11 LEU 12 -21.451 8.176 -14.634 108 HD12 LEU 12 HD12 LEU 12 -21.952 8.132 -16.324 109 HD13 LEU 12 HD13 LEU 12 -20.283 7.765 -15.890 110 HD21 LEU 12 HD21 LEU 12 -20.232 5.758 -16.950 111 HD22 LEU 12 HD22 LEU 12 -21.908 5.575 -17.467 112 HD23 LEU 12 HD23 LEU 12 -21.174 4.368 -16.409 113 H LYS 13 H LYS 13 -21.390 3.355 -11.718 114 HA LYS 13 HA LYS 13 -19.631 4.715 -9.818 115 HB2 LYS 13 HB2 LYS 13 -21.953 2.942 -9.048 116 HB3 LYS 13 HB3 LYS 13 -20.661 3.396 -7.944 117 HG2 LYS 13 HG2 LYS 13 -22.434 5.377 -9.353 118 HG3 LYS 13 HG3 LYS 13 -22.742 4.749 -7.732 119 HD2 LYS 13 HD2 LYS 13 -20.060 5.604 -7.764 120 HD3 LYS 13 HD3 LYS 13 -20.999 6.873 -8.553 121 HE2 LYS 13 HE2 LYS 13 -21.429 5.708 -5.807 122 HE3 LYS 13 HE3 LYS 13 -20.916 7.347 -6.207 123 HZ1 LYS 13 HZ1 LYS 13 -23.581 6.122 -6.528 124 HZ2 LYS 13 HZ2 LYS 13 -23.139 7.479 -7.435 125 HZ3 LYS 13 HZ3 LYS 13 -23.163 7.563 -5.746 126 H GLY 14 H GLY 14 -18.058 3.370 -8.858 127 HA2 GLY 14 HA2 GLY 14 -17.919 0.580 -9.160 128 HA3 GLY 14 HA3 GLY 14 -17.060 1.323 -10.502 129 H GLU 15 H GLU 15 -15.508 -0.189 -9.074 130 HA GLU 15 HA GLU 15 -13.809 1.703 -7.650 131 HB2 GLU 15 HB2 GLU 15 -15.245 0.587 -5.936 132 HB3 GLU 15 HB3 GLU 15 -14.570 -0.957 -6.435 133 HG2 GLU 15 HG2 GLU 15 -12.802 -0.675 -5.138 134 HG3 GLU 15 HG3 GLU 15 -12.461 0.899 -5.856 135 H THR 16 H THR 16 -11.658 1.307 -7.886 136 HA THR 16 HA THR 16 -10.779 -1.252 -8.978 137 HB THR 16 HB THR 16 -9.444 0.882 -10.402 138 HG1 THR 16 HG1 THR 16 -11.518 1.130 -11.751 139 HG21 THR 16 HG21 THR 16 -9.923 -0.495 -12.314 140 HG22 THR 16 HG22 THR 16 -11.172 -1.370 -11.428 141 HG23 THR 16 HG23 THR 16 -9.478 -1.547 -10.971 142 H THR 17 H THR 17 -8.607 -1.718 -8.613 143 HA THR 17 HA THR 17 -7.159 0.218 -6.925 144 HB THR 17 HB THR 17 -6.153 -1.745 -5.743 145 HG1 THR 17 HG1 THR 17 -6.511 -3.487 -6.996 146 HG21 THR 17 HG21 THR 17 -7.804 -0.697 -4.487 147 HG22 THR 17 HG22 THR 17 -8.380 -2.363 -4.554 148 HG23 THR 17 HG23 THR 17 -9.085 -1.143 -5.614 149 H THR 18 H THR 18 -4.926 0.333 -7.167 150 HA THR 18 HA THR 18 -3.655 -1.335 -9.196 151 HB THR 18 HB THR 18 -4.378 0.481 -10.566 152 HG1 THR 18 HG1 THR 18 -1.755 1.317 -9.992 153 HG21 THR 18 HG21 THR 18 -4.964 2.310 -9.355 154 HG22 THR 18 HG22 THR 18 -3.334 2.830 -9.785 155 HG23 THR 18 HG23 THR 18 -3.643 2.107 -8.206 156 H GLU 19 H GLU 19 -1.438 -1.532 -8.967 157 HA GLU 19 HA GLU 19 -0.346 -0.386 -6.487 158 HB2 GLU 19 HB2 GLU 19 0.506 -2.850 -8.019 159 HB3 GLU 19 HB3 GLU 19 1.266 -2.260 -6.548 160 HG2 GLU 19 HG2 GLU 19 -0.136 -3.523 -5.399 161 HG3 GLU 19 HG3 GLU 19 -1.444 -2.470 -5.933 162 H ALA 20 H ALA 20 1.477 0.817 -6.509 163 HA ALA 20 HA ALA 20 2.962 1.056 -9.034 164 HB1 ALA 20 HB1 ALA 20 1.838 3.008 -9.287 165 HB2 ALA 20 HB2 ALA 20 1.534 3.188 -7.559 166 HB3 ALA 20 HB3 ALA 20 3.117 3.592 -8.223 167 H VAL 21 H VAL 21 5.131 1.849 -8.806 168 HA VAL 21 HA VAL 21 6.245 1.285 -6.142 169 HB VAL 21 HB VAL 21 7.044 -0.168 -7.974 170 HG11 VAL 21 HG11 VAL 21 7.858 0.580 -9.931 171 HG12 VAL 21 HG12 VAL 21 6.991 2.062 -9.522 172 HG13 VAL 21 HG13 VAL 21 8.716 1.924 -9.177 173 HG21 VAL 21 HG21 VAL 21 9.244 -0.205 -7.264 174 HG22 VAL 21 HG22 VAL 21 9.358 1.553 -7.184 175 HG23 VAL 21 HG23 VAL 21 8.452 0.672 -5.954 176 H ASP 22 H ASP 22 5.853 3.719 -8.540 177 HA ASP 22 HA ASP 22 7.569 5.526 -6.968 178 HB2 ASP 22 HB2 ASP 22 7.471 5.039 -9.884 179 HB3 ASP 22 HB3 ASP 22 7.562 6.728 -9.394 180 H ALA 23 H ALA 23 6.860 7.673 -6.741 181 HA ALA 23 HA ALA 23 4.026 7.971 -6.603 182 HB1 ALA 23 HB1 ALA 23 5.214 9.057 -4.905 183 HB2 ALA 23 HB2 ALA 23 6.331 9.809 -6.045 184 HB3 ALA 23 HB3 ALA 23 4.658 10.361 -5.955 185 H ALA 24 H ALA 24 6.554 9.230 -8.724 186 HA ALA 24 HA ALA 24 4.986 11.072 -10.150 187 HB1 ALA 24 HB1 ALA 24 7.626 9.922 -10.367 188 HB2 ALA 24 HB2 ALA 24 6.878 10.117 -11.953 189 HB3 ALA 24 HB3 ALA 24 7.041 11.506 -10.879 190 H THR 25 H THR 25 5.627 7.633 -10.688 191 HA THR 25 HA THR 25 4.109 7.531 -13.123 192 HB THR 25 HB THR 25 5.143 5.298 -11.365 193 HG1 THR 25 HG1 THR 25 6.651 5.165 -13.218 194 HG21 THR 25 HG21 THR 25 3.554 5.315 -13.871 195 HG22 THR 25 HG22 THR 25 3.583 4.140 -12.555 196 HG23 THR 25 HG23 THR 25 4.871 4.148 -13.759 197 H ALA 26 H ALA 26 3.498 6.926 -9.729 198 HA ALA 26 HA ALA 26 1.114 5.478 -9.930 199 HB1 ALA 26 HB1 ALA 26 2.005 5.510 -7.801 200 HB2 ALA 26 HB2 ALA 26 2.286 7.251 -7.830 201 HB3 ALA 26 HB3 ALA 26 0.648 6.625 -7.646 202 H GLU 27 H GLU 27 1.664 8.983 -9.780 203 HA GLU 27 HA GLU 27 -1.055 9.730 -9.793 204 HB2 GLU 27 HB2 GLU 27 0.937 11.184 -9.199 205 HB3 GLU 27 HB3 GLU 27 1.220 11.356 -10.926 206 HG2 GLU 27 HG2 GLU 27 -0.973 12.371 -11.200 207 HG3 GLU 27 HG3 GLU 27 -1.290 12.171 -9.477 208 H LYS 28 H LYS 28 1.240 9.056 -12.369 209 HA LYS 28 HA LYS 28 -0.232 10.055 -14.532 210 HB2 LYS 28 HB2 LYS 28 1.990 8.136 -14.168 211 HB3 LYS 28 HB3 LYS 28 1.076 7.973 -15.661 212 HG2 LYS 28 HG2 LYS 28 1.465 10.431 -16.036 213 HG3 LYS 28 HG3 LYS 28 2.593 10.374 -14.680 214 HD2 LYS 28 HD2 LYS 28 3.912 10.107 -16.617 215 HD3 LYS 28 HD3 LYS 28 3.762 8.492 -15.920 216 HE2 LYS 28 HE2 LYS 28 3.012 7.784 -17.888 217 HE3 LYS 28 HE3 LYS 28 1.575 8.775 -17.640 218 HZ1 LYS 28 HZ1 LYS 28 3.351 9.054 -19.667 219 HZ2 LYS 28 HZ2 LYS 28 3.831 10.271 -18.595 220 HZ3 LYS 28 HZ3 LYS 28 2.240 10.229 -19.171 221 H VAL 29 H VAL 29 -0.321 6.923 -12.907 222 HA VAL 29 HA VAL 29 -2.034 5.616 -14.722 223 HB VAL 29 HB VAL 29 -1.842 5.098 -11.754 224 HG11 VAL 29 HG11 VAL 29 -3.526 3.711 -12.355 225 HG12 VAL 29 HG12 VAL 29 -3.046 3.683 -14.053 226 HG13 VAL 29 HG13 VAL 29 -2.185 2.691 -12.875 227 HG21 VAL 29 HG21 VAL 29 0.057 4.605 -13.953 228 HG22 VAL 29 HG22 VAL 29 0.345 4.787 -12.223 229 HG23 VAL 29 HG23 VAL 29 -0.228 3.247 -12.863 230 H PHE 30 H PHE 30 -2.677 7.548 -11.829 231 HA PHE 30 HA PHE 30 -5.462 7.105 -11.743 232 HB2 PHE 30 HB2 PHE 30 -3.559 9.011 -10.507 233 HB3 PHE 30 HB3 PHE 30 -5.241 9.525 -10.572 234 HD1 PHE 30 HD1 PHE 30 -5.323 9.522 -8.124 235 HD2 PHE 30 HD2 PHE 30 -4.500 5.980 -10.335 236 HE1 PHE 30 HE1 PHE 30 -5.812 8.167 -6.129 237 HE2 PHE 30 HE2 PHE 30 -4.988 4.619 -8.344 238 HZ PHE 30 HZ PHE 30 -5.646 5.712 -6.238 239 H LYS 31 H LYS 31 -3.586 9.850 -13.024 240 HA LYS 31 HA LYS 31 -5.796 11.244 -14.077 241 HB2 LYS 31 HB2 LYS 31 -2.893 11.458 -14.158 242 HB3 LYS 31 HB3 LYS 31 -3.633 11.935 -15.680 243 HG2 LYS 31 HG2 LYS 31 -4.388 13.040 -12.982 244 HG3 LYS 31 HG3 LYS 31 -3.294 13.818 -14.128 245 HD2 LYS 31 HD2 LYS 31 -6.113 13.051 -14.847 246 HD3 LYS 31 HD3 LYS 31 -5.708 14.614 -14.133 247 HE2 LYS 31 HE2 LYS 31 -4.131 13.736 -16.486 248 HE3 LYS 31 HE3 LYS 31 -5.805 14.215 -16.767 249 HZ1 LYS 31 HZ1 LYS 31 -4.898 16.249 -16.909 250 HZ2 LYS 31 HZ2 LYS 31 -3.518 15.833 -16.024 251 HZ3 LYS 31 HZ3 LYS 31 -4.956 16.211 -15.218 252 H GLN 32 H GLN 32 -3.615 8.848 -15.487 253 HA GLN 32 HA GLN 32 -4.560 9.029 -18.135 254 HB2 GLN 32 HB2 GLN 32 -2.464 7.947 -17.707 255 HB3 GLN 32 HB3 GLN 32 -3.223 6.777 -16.635 256 HG2 GLN 32 HG2 GLN 32 -4.483 6.648 -19.188 257 HG3 GLN 32 HG3 GLN 32 -2.735 6.557 -19.398 258 HE21 GLN 32 HE21 GLN 32 -4.800 5.398 -16.772 259 HE22 GLN 32 HE22 GLN 32 -4.351 3.737 -16.915 260 H TYR 33 H TYR 33 -5.451 6.862 -15.465 261 HA TYR 33 HA TYR 33 -7.344 5.344 -16.874 262 HB2 TYR 33 HB2 TYR 33 -6.668 5.811 -14.034 263 HB3 TYR 33 HB3 TYR 33 -8.306 5.246 -14.343 264 HD1 TYR 33 HD1 TYR 33 -8.160 3.325 -16.399 265 HD2 TYR 33 HD2 TYR 33 -5.299 4.095 -13.345 266 HE1 TYR 33 HE1 TYR 33 -7.330 1.019 -16.604 267 HE2 TYR 33 HE2 TYR 33 -4.460 1.791 -13.543 268 HH TYR 33 HH TYR 33 -4.592 -0.033 -15.749 269 H ALA 34 H ALA 34 -7.632 8.364 -15.076 270 HA ALA 34 HA ALA 34 -10.474 8.523 -15.276 271 HB1 ALA 34 HB1 ALA 34 -9.861 9.856 -13.565 272 HB2 ALA 34 HB2 ALA 34 -8.299 10.245 -14.285 273 HB3 ALA 34 HB3 ALA 34 -9.753 11.079 -14.832 274 H ASN 35 H ASN 35 -7.790 10.037 -17.044 275 HA ASN 35 HA ASN 35 -9.349 11.620 -18.757 276 HB2 ASN 35 HB2 ASN 35 -7.068 12.164 -18.689 277 HB3 ASN 35 HB3 ASN 35 -6.567 10.494 -18.942 278 HD21 ASN 35 HD21 ASN 35 -6.286 9.750 -20.969 279 HD22 ASN 35 HD22 ASN 35 -6.509 10.701 -22.394 280 H ASP 36 H ASP 36 -8.039 8.347 -19.177 281 HA ASP 36 HA ASP 36 -9.014 7.949 -21.792 282 HB2 ASP 36 HB2 ASP 36 -7.253 6.572 -20.617 283 HB3 ASP 36 HB3 ASP 36 -8.556 5.799 -19.718 284 H ASN 37 H ASN 37 -10.603 8.052 -18.783 285 HA ASN 37 HA ASN 37 -12.925 6.593 -19.838 286 HB2 ASN 37 HB2 ASN 37 -11.834 7.052 -17.129 287 HB3 ASN 37 HB3 ASN 37 -13.589 7.117 -17.259 288 HD21 ASN 37 HD21 ASN 37 -10.839 5.132 -18.291 289 HD22 ASN 37 HD22 ASN 37 -11.632 3.613 -18.066 290 H GLY 38 H GLY 38 -11.743 9.693 -19.492 291 HA2 GLY 38 HA2 GLY 38 -12.739 11.718 -19.976 292 HA3 GLY 38 HA3 GLY 38 -14.250 10.860 -20.241 293 H VAL 39 H VAL 39 -12.557 10.445 -17.246 294 HA VAL 39 HA VAL 39 -14.772 11.250 -15.697 295 HB VAL 39 HB VAL 39 -11.915 11.051 -14.744 296 HG11 VAL 39 HG11 VAL 39 -14.310 10.322 -13.128 297 HG12 VAL 39 HG12 VAL 39 -12.734 10.920 -12.604 298 HG13 VAL 39 HG13 VAL 39 -13.901 12.025 -13.331 299 HG21 VAL 39 HG21 VAL 39 -13.984 8.883 -15.082 300 HG22 VAL 39 HG22 VAL 39 -12.443 9.019 -15.928 301 HG23 VAL 39 HG23 VAL 39 -12.472 8.697 -14.195 302 H ASP 40 H ASP 40 -15.475 13.236 -15.325 303 HA ASP 40 HA ASP 40 -13.507 15.411 -15.076 304 HB2 ASP 40 HB2 ASP 40 -14.826 15.403 -17.267 305 HB3 ASP 40 HB3 ASP 40 -16.239 15.796 -16.291 306 H GLY 41 H GLY 41 -13.876 16.911 -13.481 307 HA2 GLY 41 HA2 GLY 41 -16.000 17.748 -12.139 308 HA3 GLY 41 HA3 GLY 41 -15.848 16.128 -11.476 309 H GLU 42 H GLU 42 -15.095 16.350 -9.470 310 HA GLU 42 HA GLU 42 -12.741 18.080 -9.074 311 HB2 GLU 42 HB2 GLU 42 -14.945 18.750 -7.939 312 HB3 GLU 42 HB3 GLU 42 -14.693 17.354 -6.900 313 HG2 GLU 42 HG2 GLU 42 -12.590 18.274 -6.127 314 HG3 GLU 42 HG3 GLU 42 -12.772 19.650 -7.214 315 H TRP 43 H TRP 43 -11.088 17.329 -7.728 316 HA TRP 43 HA TRP 43 -11.137 14.421 -7.268 317 HB2 TRP 43 HB2 TRP 43 -8.953 16.313 -8.064 318 HB3 TRP 43 HB3 TRP 43 -8.546 14.831 -7.202 319 HD1 TRP 43 HD1 TRP 43 -10.094 16.016 -10.521 320 HE1 TRP 43 HE1 TRP 43 -9.884 14.109 -12.238 321 HE3 TRP 43 HE3 TRP 43 -8.271 12.358 -7.451 322 HZ2 TRP 43 HZ2 TRP 43 -9.056 11.411 -12.284 323 HZ3 TRP 43 HZ3 TRP 43 -7.796 10.142 -8.410 324 HH2 TRP 43 HH2 TRP 43 -8.182 9.680 -10.776 325 H THR 44 H THR 44 -10.692 13.610 -5.284 326 HA THR 44 HA THR 44 -10.166 15.565 -3.141 327 HB THR 44 HB THR 44 -11.354 12.934 -2.448 328 HG1 THR 44 HG1 THR 44 -12.621 14.886 -4.030 329 HG21 THR 44 HG21 THR 44 -12.639 14.372 -0.884 330 HG22 THR 44 HG22 THR 44 -11.810 15.780 -1.549 331 HG23 THR 44 HG23 THR 44 -10.893 14.536 -0.700 332 H TYR 45 H TYR 45 -8.772 14.971 -1.445 333 HA TYR 45 HA TYR 45 -7.157 12.556 -1.888 334 HB2 TYR 45 HB2 TYR 45 -5.122 13.874 -1.302 335 HB3 TYR 45 HB3 TYR 45 -5.862 14.366 -2.821 336 HD1 TYR 45 HD1 TYR 45 -7.319 16.443 -2.831 337 HD2 TYR 45 HD2 TYR 45 -4.792 15.423 0.436 338 HE1 TYR 45 HE1 TYR 45 -7.424 18.767 -2.032 339 HE2 TYR 45 HE2 TYR 45 -4.890 17.744 1.244 340 HH TYR 45 HH TYR 45 -5.676 19.785 0.891 341 H ASP 46 H ASP 46 -7.383 11.330 -0.148 342 HA ASP 46 HA ASP 46 -7.736 12.616 2.470 343 HB2 ASP 46 HB2 ASP 46 -8.262 9.736 1.711 344 HB3 ASP 46 HB3 ASP 46 -8.697 10.523 3.226 345 H ASP 47 H ASP 47 -5.708 12.998 3.212 346 HA ASP 47 HA ASP 47 -3.497 11.282 2.847 347 HB2 ASP 47 HB2 ASP 47 -2.507 12.643 4.762 348 HB3 ASP 47 HB3 ASP 47 -3.018 13.548 3.339 349 H ALA 48 H ALA 48 -6.192 11.049 4.876 350 HA ALA 48 HA ALA 48 -4.993 9.699 7.083 351 HB1 ALA 48 HB1 ALA 48 -7.215 9.248 7.820 352 HB2 ALA 48 HB2 ALA 48 -7.201 10.876 7.139 353 HB3 ALA 48 HB3 ALA 48 -7.870 9.536 6.207 354 H THR 49 H THR 49 -6.722 8.609 4.180 355 HA THR 49 HA THR 49 -5.817 5.865 4.755 356 HB THR 49 HB THR 49 -7.614 5.183 3.106 357 HG1 THR 49 HG1 THR 49 -9.324 6.996 3.143 358 HG21 THR 49 HG21 THR 49 -8.417 6.584 5.658 359 HG22 THR 49 HG22 THR 49 -7.976 4.887 5.471 360 HG23 THR 49 HG23 THR 49 -9.462 5.497 4.745 361 H LYS 50 H LYS 50 -4.754 8.378 3.127 362 HA LYS 50 HA LYS 50 -3.567 8.757 1.215 363 HB2 LYS 50 HB2 LYS 50 -2.881 5.827 1.293 364 HB3 LYS 50 HB3 LYS 50 -1.881 7.169 0.751 365 HG2 LYS 50 HG2 LYS 50 -0.912 6.961 2.754 366 HG3 LYS 50 HG3 LYS 50 -2.317 7.857 3.338 367 HD2 LYS 50 HD2 LYS 50 -3.306 5.349 3.361 368 HD3 LYS 50 HD3 LYS 50 -1.601 5.013 3.671 369 HE2 LYS 50 HE2 LYS 50 -2.795 7.227 5.215 370 HE3 LYS 50 HE3 LYS 50 -3.386 5.611 5.597 371 HZ1 LYS 50 HZ1 LYS 50 -0.768 6.784 6.055 372 HZ2 LYS 50 HZ2 LYS 50 -0.768 5.171 5.546 373 HZ3 LYS 50 HZ3 LYS 50 -1.603 5.616 6.949 374 H THR 51 H THR 51 -6.334 8.023 0.835 375 HA THR 51 HA THR 51 -6.153 6.776 -1.831 376 HB THR 51 HB THR 51 -7.405 5.429 -0.087 377 HG1 THR 51 HG1 THR 51 -7.952 4.850 -2.100 378 HG21 THR 51 HG21 THR 51 -8.516 7.687 0.730 379 HG22 THR 51 HG22 THR 51 -9.375 6.150 0.838 380 HG23 THR 51 HG23 THR 51 -9.718 7.261 -0.488 381 H PHE 52 H PHE 52 -7.133 7.790 -3.519 382 HA PHE 52 HA PHE 52 -8.349 10.408 -2.937 383 HB2 PHE 52 HB2 PHE 52 -7.031 9.535 -5.514 384 HB3 PHE 52 HB3 PHE 52 -7.567 11.159 -5.095 385 HD1 PHE 52 HD1 PHE 52 -6.196 12.618 -3.849 386 HD2 PHE 52 HD2 PHE 52 -5.094 8.534 -4.318 387 HE1 PHE 52 HE1 PHE 52 -3.968 13.117 -2.930 388 HE2 PHE 52 HE2 PHE 52 -2.865 9.026 -3.400 389 HZ PHE 52 HZ PHE 52 -2.300 11.319 -2.703 390 H THR 53 H THR 53 -10.006 11.143 -4.482 391 HA THR 53 HA THR 53 -11.426 9.039 -5.914 392 HB THR 53 HB THR 53 -12.403 8.942 -3.671 393 HG1 THR 53 HG1 THR 53 -14.379 8.809 -4.489 394 HG21 THR 53 HG21 THR 53 -12.042 11.080 -2.754 395 HG22 THR 53 HG22 THR 53 -13.790 10.970 -2.964 396 HG23 THR 53 HG23 THR 53 -12.820 11.886 -4.116 397 H VAL 54 H VAL 54 -13.028 9.841 -7.385 398 HA VAL 54 HA VAL 54 -12.887 12.734 -7.901 399 HB VAL 54 HB VAL 54 -11.379 11.719 -9.488 400 HG11 VAL 54 HG11 VAL 54 -12.465 9.440 -9.327 401 HG12 VAL 54 HG12 VAL 54 -13.646 10.021 -10.502 402 HG13 VAL 54 HG13 VAL 54 -11.939 9.936 -10.936 403 HG21 VAL 54 HG21 VAL 54 -13.074 13.526 -10.171 404 HG22 VAL 54 HG22 VAL 54 -12.221 12.663 -11.451 405 HG23 VAL 54 HG23 VAL 54 -13.885 12.233 -11.055 406 H THR 55 H THR 55 -14.856 13.569 -7.837 407 HA THR 55 HA THR 55 -17.167 11.849 -8.363 408 HB THR 55 HB THR 55 -17.006 14.586 -7.088 409 HG1 THR 55 HG1 THR 55 -17.046 13.516 -5.234 410 HG21 THR 55 HG21 THR 55 -19.349 12.815 -7.739 411 HG22 THR 55 HG22 THR 55 -19.119 14.520 -8.126 412 HG23 THR 55 HG23 THR 55 -19.418 14.027 -6.460 413 H GLU 56 H GLU 56 -18.668 12.275 -9.933 414 HA GLU 56 HA GLU 56 -18.035 14.481 -11.782 415 HB2 GLU 56 HB2 GLU 56 -19.363 11.918 -12.629 416 HB3 GLU 56 HB3 GLU 56 -18.583 13.131 -13.635 417 HG2 GLU 56 HG2 GLU 56 -16.410 12.501 -12.642 418 HG3 GLU 56 HG3 GLU 56 -17.227 11.221 -11.747 Start of MODEL 10 1 H MET 1 H MET 1 0.669 0.468 1.138 2 HA MET 1 HA MET 1 2.534 1.006 -0.307 3 HB2 MET 1 HB2 MET 1 3.568 -0.728 -1.653 4 HB3 MET 1 HB3 MET 1 3.607 -1.191 0.043 5 HG2 MET 1 HG2 MET 1 1.897 -2.783 -0.247 6 HG3 MET 1 HG3 MET 1 1.475 -2.150 -1.836 7 HE1 MET 1 HE1 MET 1 3.091 -2.158 -3.841 8 HE2 MET 1 HE2 MET 1 3.868 -3.687 -4.252 9 HE3 MET 1 HE3 MET 1 2.135 -3.638 -3.923 10 H GLN 2 H GLN 2 -0.346 -0.857 -0.797 11 HA GLN 2 HA GLN 2 -0.685 0.349 -3.462 12 HB2 GLN 2 HB2 GLN 2 -2.299 -1.436 -3.918 13 HB3 GLN 2 HB3 GLN 2 -0.729 -2.096 -3.481 14 HG2 GLN 2 HG2 GLN 2 -2.233 -3.431 -2.329 15 HG3 GLN 2 HG3 GLN 2 -1.677 -2.282 -1.113 16 HE21 GLN 2 HE21 GLN 2 -4.100 -2.102 -3.697 17 HE22 GLN 2 HE22 GLN 2 -5.410 -1.637 -2.671 18 H TYR 3 H TYR 3 -2.651 1.337 -3.996 19 HA TYR 3 HA TYR 3 -4.387 1.980 -1.703 20 HB2 TYR 3 HB2 TYR 3 -4.643 4.231 -2.538 21 HB3 TYR 3 HB3 TYR 3 -2.925 3.884 -2.378 22 HD1 TYR 3 HD1 TYR 3 -1.787 2.955 -4.580 23 HD2 TYR 3 HD2 TYR 3 -5.386 5.222 -4.488 24 HE1 TYR 3 HE1 TYR 3 -1.434 3.599 -6.928 25 HE2 TYR 3 HE2 TYR 3 -5.044 5.872 -6.835 26 HH TYR 3 HH TYR 3 -3.007 6.095 -8.404 27 H LYS 4 H LYS 4 -6.589 2.629 -2.298 28 HA LYS 4 HA LYS 4 -7.493 1.242 -4.737 29 HB2 LYS 4 HB2 LYS 4 -8.178 0.190 -2.573 30 HB3 LYS 4 HB3 LYS 4 -9.059 1.662 -2.185 31 HG2 LYS 4 HG2 LYS 4 -9.801 0.683 -4.790 32 HG3 LYS 4 HG3 LYS 4 -10.009 -0.564 -3.559 33 HD2 LYS 4 HD2 LYS 4 -10.964 2.150 -2.871 34 HD3 LYS 4 HD3 LYS 4 -11.874 1.283 -4.111 35 HE2 LYS 4 HE2 LYS 4 -12.860 0.036 -2.560 36 HE3 LYS 4 HE3 LYS 4 -11.294 -0.496 -1.951 37 HZ1 LYS 4 HZ1 LYS 4 -13.119 1.141 -0.676 38 HZ2 LYS 4 HZ2 LYS 4 -11.829 2.149 -1.102 39 HZ3 LYS 4 HZ3 LYS 4 -11.550 0.767 -0.166 40 H LEU 5 H LEU 5 -8.801 2.297 -6.137 41 HA LEU 5 HA LEU 5 -9.285 5.132 -5.601 42 HB2 LEU 5 HB2 LEU 5 -8.374 3.754 -7.832 43 HB3 LEU 5 HB3 LEU 5 -10.030 4.197 -8.241 44 HG LEU 5 HG LEU 5 -8.315 5.816 -9.028 45 HD11 LEU 5 HD11 LEU 5 -9.843 7.434 -8.884 46 HD12 LEU 5 HD12 LEU 5 -9.775 7.463 -7.122 47 HD13 LEU 5 HD13 LEU 5 -10.795 6.283 -7.945 48 HD21 LEU 5 HD21 LEU 5 -8.013 6.776 -6.222 49 HD22 LEU 5 HD22 LEU 5 -6.962 7.021 -7.617 50 HD23 LEU 5 HD23 LEU 5 -6.990 5.460 -6.797 51 H ILE 6 H ILE 6 -11.269 5.979 -5.368 52 HA ILE 6 HA ILE 6 -13.554 4.138 -5.581 53 HB ILE 6 HB ILE 6 -13.289 6.677 -3.967 54 HG12 ILE 6 HG12 ILE 6 -13.844 4.490 -2.308 55 HG13 ILE 6 HG13 ILE 6 -12.624 3.907 -3.434 56 HG21 ILE 6 HG21 ILE 6 -15.566 4.719 -4.211 57 HG22 ILE 6 HG22 ILE 6 -15.461 5.981 -2.986 58 HG23 ILE 6 HG23 ILE 6 -15.565 6.415 -4.692 59 HD11 ILE 6 HD11 ILE 6 -11.199 4.773 -1.945 60 HD12 ILE 6 HD12 ILE 6 -11.577 6.301 -2.742 61 HD13 ILE 6 HD13 ILE 6 -12.411 5.851 -1.254 62 H LEU 7 H LEU 7 -15.040 4.480 -7.093 63 HA LEU 7 HA LEU 7 -14.985 7.028 -8.553 64 HB2 LEU 7 HB2 LEU 7 -16.407 4.557 -9.470 65 HB3 LEU 7 HB3 LEU 7 -15.814 5.912 -10.428 66 HG LEU 7 HG LEU 7 -14.048 3.877 -9.071 67 HD11 LEU 7 HD11 LEU 7 -14.057 2.594 -10.923 68 HD12 LEU 7 HD12 LEU 7 -14.264 3.967 -12.009 69 HD13 LEU 7 HD13 LEU 7 -15.655 3.306 -11.149 70 HD21 LEU 7 HD21 LEU 7 -12.684 5.062 -11.153 71 HD22 LEU 7 HD22 LEU 7 -12.487 5.427 -9.439 72 HD23 LEU 7 HD23 LEU 7 -13.573 6.403 -10.430 73 H ASN 8 H ASN 8 -16.454 8.438 -7.873 74 HA ASN 8 HA ASN 8 -19.114 7.429 -7.103 75 HB2 ASN 8 HB2 ASN 8 -17.530 8.700 -5.413 76 HB3 ASN 8 HB3 ASN 8 -18.151 10.126 -6.240 77 HD21 ASN 8 HD21 ASN 8 -20.666 9.857 -6.617 78 HD22 ASN 8 HD22 ASN 8 -21.545 9.481 -5.178 79 H GLY 9 H GLY 9 -19.360 7.539 -9.547 80 HA2 GLY 9 HA2 GLY 9 -19.634 10.186 -10.680 81 HA3 GLY 9 HA3 GLY 9 -19.980 8.663 -11.485 82 H LYS 10 H LYS 10 -21.659 10.771 -11.859 83 HA LYS 10 HA LYS 10 -23.877 10.629 -10.018 84 HB2 LYS 10 HB2 LYS 10 -23.643 11.993 -12.707 85 HB3 LYS 10 HB3 LYS 10 -24.969 12.200 -11.570 86 HG2 LYS 10 HG2 LYS 10 -22.111 12.860 -10.910 87 HG3 LYS 10 HG3 LYS 10 -23.254 14.027 -11.579 88 HD2 LYS 10 HD2 LYS 10 -23.595 14.458 -9.375 89 HD3 LYS 10 HD3 LYS 10 -24.733 13.119 -9.551 90 HE2 LYS 10 HE2 LYS 10 -23.526 11.778 -8.223 91 HE3 LYS 10 HE3 LYS 10 -22.003 12.261 -8.968 92 HZ1 LYS 10 HZ1 LYS 10 -21.583 13.623 -7.288 93 HZ2 LYS 10 HZ2 LYS 10 -22.914 12.969 -6.475 94 HZ3 LYS 10 HZ3 LYS 10 -23.097 14.369 -7.407 95 H THR 11 H THR 11 -23.166 9.528 -13.305 96 HA THR 11 HA THR 11 -25.598 7.864 -13.191 97 HB THR 11 HB THR 11 -25.747 9.543 -14.968 98 HG1 THR 11 HG1 THR 11 -25.233 7.044 -16.209 99 HG21 THR 11 HG21 THR 11 -23.473 8.234 -16.408 100 HG22 THR 11 HG22 THR 11 -23.158 9.529 -15.253 101 HG23 THR 11 HG23 THR 11 -24.184 9.828 -16.656 102 H LEU 12 H LEU 12 -22.357 7.714 -12.870 103 HA LEU 12 HA LEU 12 -22.297 4.917 -13.744 104 HB2 LEU 12 HB2 LEU 12 -19.875 6.620 -14.122 105 HB3 LEU 12 HB3 LEU 12 -20.304 5.099 -14.902 106 HG LEU 12 HG LEU 12 -22.252 6.754 -15.841 107 HD11 LEU 12 HD11 LEU 12 -21.056 8.657 -14.695 108 HD12 LEU 12 HD12 LEU 12 -21.353 8.860 -16.421 109 HD13 LEU 12 HD13 LEU 12 -19.745 8.415 -15.850 110 HD21 LEU 12 HD21 LEU 12 -20.453 7.003 -17.796 111 HD22 LEU 12 HD22 LEU 12 -21.290 5.488 -17.457 112 HD23 LEU 12 HD23 LEU 12 -19.655 5.750 -16.846 113 H LYS 13 H LYS 13 -21.132 3.551 -12.446 114 HA LYS 13 HA LYS 13 -19.568 4.693 -10.254 115 HB2 LYS 13 HB2 LYS 13 -21.923 2.835 -9.918 116 HB3 LYS 13 HB3 LYS 13 -20.711 3.084 -8.668 117 HG2 LYS 13 HG2 LYS 13 -22.432 5.249 -9.861 118 HG3 LYS 13 HG3 LYS 13 -22.735 4.435 -8.324 119 HD2 LYS 13 HD2 LYS 13 -20.074 5.292 -8.205 120 HD3 LYS 13 HD3 LYS 13 -20.971 6.636 -8.917 121 HE2 LYS 13 HE2 LYS 13 -21.501 5.254 -6.293 122 HE3 LYS 13 HE3 LYS 13 -20.976 6.918 -6.543 123 HZ1 LYS 13 HZ1 LYS 13 -23.159 7.329 -6.315 124 HZ2 LYS 13 HZ2 LYS 13 -23.629 5.764 -6.750 125 HZ3 LYS 13 HZ3 LYS 13 -23.235 6.891 -7.948 126 H GLY 14 H GLY 14 -18.029 3.275 -9.354 127 HA2 GLY 14 HA2 GLY 14 -17.789 0.546 -9.970 128 HA3 GLY 14 HA3 GLY 14 -16.862 1.459 -11.152 129 H GLU 15 H GLU 15 -15.366 -0.177 -9.807 130 HA GLU 15 HA GLU 15 -13.860 1.562 -8.005 131 HB2 GLU 15 HB2 GLU 15 -15.311 0.136 -6.582 132 HB3 GLU 15 HB3 GLU 15 -14.572 -1.289 -7.298 133 HG2 GLU 15 HG2 GLU 15 -12.613 0.571 -6.231 134 HG3 GLU 15 HG3 GLU 15 -13.751 -0.004 -5.014 135 H THR 16 H THR 16 -11.657 1.218 -8.018 136 HA THR 16 HA THR 16 -10.589 -1.025 -9.550 137 HB THR 16 HB THR 16 -9.156 1.349 -10.325 138 HG1 THR 16 HG1 THR 16 -11.936 1.294 -10.964 139 HG21 THR 16 HG21 THR 16 -10.798 -0.587 -11.961 140 HG22 THR 16 HG22 THR 16 -9.127 -0.852 -11.462 141 HG23 THR 16 HG23 THR 16 -9.523 0.475 -12.553 142 H THR 17 H THR 17 -8.310 -1.356 -9.242 143 HA THR 17 HA THR 17 -7.085 0.161 -7.055 144 HB THR 17 HB THR 17 -6.229 -2.111 -6.170 145 HG1 THR 17 HG1 THR 17 -7.169 -3.860 -6.927 146 HG21 THR 17 HG21 THR 17 -8.478 -2.439 -4.924 147 HG22 THR 17 HG22 THR 17 -8.991 -1.003 -5.810 148 HG23 THR 17 HG23 THR 17 -7.607 -0.920 -4.721 149 H THR 18 H THR 18 -4.838 0.196 -7.066 150 HA THR 18 HA THR 18 -3.428 -1.300 -9.137 151 HB THR 18 HB THR 18 -4.074 0.802 -10.243 152 HG1 THR 18 HG1 THR 18 -2.113 -0.032 -10.902 153 HG21 THR 18 HG21 THR 18 -3.931 2.045 -7.927 154 HG22 THR 18 HG22 THR 18 -3.612 2.906 -9.433 155 HG23 THR 18 HG23 THR 18 -2.270 2.345 -8.436 156 H GLU 19 H GLU 19 -1.230 -1.573 -8.745 157 HA GLU 19 HA GLU 19 -0.393 -0.870 -6.020 158 HB2 GLU 19 HB2 GLU 19 1.345 -2.658 -6.389 159 HB3 GLU 19 HB3 GLU 19 -0.320 -3.222 -6.366 160 HG2 GLU 19 HG2 GLU 19 -0.226 -3.957 -8.468 161 HG3 GLU 19 HG3 GLU 19 0.634 -2.525 -9.031 162 H ALA 20 H ALA 20 1.056 0.682 -5.743 163 HA ALA 20 HA ALA 20 3.133 1.104 -7.758 164 HB1 ALA 20 HB1 ALA 20 2.491 3.688 -7.036 165 HB2 ALA 20 HB2 ALA 20 2.093 2.903 -8.565 166 HB3 ALA 20 HB3 ALA 20 0.920 2.914 -7.247 167 H VAL 21 H VAL 21 4.923 2.425 -6.970 168 HA VAL 21 HA VAL 21 5.316 2.023 -4.093 169 HB VAL 21 HB VAL 21 6.992 1.055 -5.639 170 HG11 VAL 21 HG11 VAL 21 7.775 3.898 -6.250 171 HG12 VAL 21 HG12 VAL 21 8.455 2.420 -6.933 172 HG13 VAL 21 HG13 VAL 21 6.804 2.898 -7.330 173 HG21 VAL 21 HG21 VAL 21 8.262 3.268 -4.053 174 HG22 VAL 21 HG22 VAL 21 7.489 1.884 -3.279 175 HG23 VAL 21 HG23 VAL 21 8.869 1.639 -4.349 176 H ASP 22 H ASP 22 4.734 4.472 -6.382 177 HA ASP 22 HA ASP 22 5.315 6.514 -4.350 178 HB2 ASP 22 HB2 ASP 22 6.624 6.225 -6.874 179 HB3 ASP 22 HB3 ASP 22 5.651 7.693 -6.916 180 H ALA 23 H ALA 23 3.945 8.318 -4.355 181 HA ALA 23 HA ALA 23 1.285 7.791 -5.257 182 HB1 ALA 23 HB1 ALA 23 0.873 10.133 -4.347 183 HB2 ALA 23 HB2 ALA 23 1.446 8.918 -3.204 184 HB3 ALA 23 HB3 ALA 23 2.565 10.116 -3.852 185 H ALA 24 H ALA 24 3.901 9.905 -6.301 186 HA ALA 24 HA ALA 24 2.468 11.488 -8.115 187 HB1 ALA 24 HB1 ALA 24 5.345 10.725 -7.851 188 HB2 ALA 24 HB2 ALA 24 4.796 11.633 -9.260 189 HB3 ALA 24 HB3 ALA 24 4.578 12.300 -7.642 190 H THR 25 H THR 25 4.085 8.368 -8.524 191 HA THR 25 HA THR 25 3.520 8.216 -11.333 192 HB THR 25 HB THR 25 4.405 6.047 -9.420 193 HG1 THR 25 HG1 THR 25 6.458 6.548 -10.134 194 HG21 THR 25 HG21 THR 25 3.690 6.026 -12.255 195 HG22 THR 25 HG22 THR 25 3.884 4.685 -11.126 196 HG23 THR 25 HG23 THR 25 5.295 5.374 -11.928 197 H ALA 26 H ALA 26 2.002 7.093 -8.383 198 HA ALA 26 HA ALA 26 0.167 5.307 -9.641 199 HB1 ALA 26 HB1 ALA 26 0.736 6.228 -6.949 200 HB2 ALA 26 HB2 ALA 26 -0.993 6.051 -7.246 201 HB3 ALA 26 HB3 ALA 26 0.090 4.683 -7.504 202 H GLU 27 H GLU 27 0.060 8.696 -8.671 203 HA GLU 27 HA GLU 27 -2.689 9.123 -9.075 204 HB2 GLU 27 HB2 GLU 27 -1.341 10.722 -7.852 205 HB3 GLU 27 HB3 GLU 27 -0.361 11.038 -9.277 206 HG2 GLU 27 HG2 GLU 27 -2.162 12.117 -10.382 207 HG3 GLU 27 HG3 GLU 27 -3.311 11.591 -9.153 208 H LYS 28 H LYS 28 0.082 9.648 -11.241 209 HA LYS 28 HA LYS 28 -1.347 10.618 -13.438 210 HB2 LYS 28 HB2 LYS 28 0.615 9.891 -14.780 211 HB3 LYS 28 HB3 LYS 28 1.056 10.811 -13.348 212 HG2 LYS 28 HG2 LYS 28 1.723 8.821 -12.197 213 HG3 LYS 28 HG3 LYS 28 1.107 7.806 -13.503 214 HD2 LYS 28 HD2 LYS 28 3.149 9.872 -14.153 215 HD3 LYS 28 HD3 LYS 28 3.671 8.407 -13.319 216 HE2 LYS 28 HE2 LYS 28 2.260 7.223 -15.189 217 HE3 LYS 28 HE3 LYS 28 2.522 8.737 -16.053 218 HZ1 LYS 28 HZ1 LYS 28 4.304 6.586 -15.688 219 HZ2 LYS 28 HZ2 LYS 28 4.970 7.974 -14.990 220 HZ3 LYS 28 HZ3 LYS 28 4.510 7.985 -16.617 221 H VAL 29 H VAL 29 -0.693 7.331 -12.378 222 HA VAL 29 HA VAL 29 -1.432 5.926 -14.664 223 HB VAL 29 HB VAL 29 -1.774 5.162 -11.763 224 HG11 VAL 29 HG11 VAL 29 -1.562 2.827 -13.188 225 HG12 VAL 29 HG12 VAL 29 -3.057 3.501 -12.537 226 HG13 VAL 29 HG13 VAL 29 -2.604 3.813 -14.213 227 HG21 VAL 29 HG21 VAL 29 0.527 5.547 -13.186 228 HG22 VAL 29 HG22 VAL 29 0.368 4.502 -11.774 229 HG23 VAL 29 HG23 VAL 29 0.247 3.818 -13.395 230 H PHE 30 H PHE 30 -3.465 6.803 -11.869 231 HA PHE 30 HA PHE 30 -5.867 5.901 -13.138 232 HB2 PHE 30 HB2 PHE 30 -5.183 7.268 -10.576 233 HB3 PHE 30 HB3 PHE 30 -6.846 7.358 -11.145 234 HD1 PHE 30 HD1 PHE 30 -7.322 4.757 -12.304 235 HD2 PHE 30 HD2 PHE 30 -5.134 5.799 -8.805 236 HE1 PHE 30 HE1 PHE 30 -7.764 2.525 -11.367 237 HE2 PHE 30 HE2 PHE 30 -5.571 3.569 -7.863 238 HZ PHE 30 HZ PHE 30 -6.887 1.928 -9.144 239 H LYS 31 H LYS 31 -4.181 8.945 -12.844 240 HA LYS 31 HA LYS 31 -6.248 10.691 -13.573 241 HB2 LYS 31 HB2 LYS 31 -3.323 10.790 -13.404 242 HB3 LYS 31 HB3 LYS 31 -3.993 11.854 -14.634 243 HG2 LYS 31 HG2 LYS 31 -4.869 11.823 -11.754 244 HG3 LYS 31 HG3 LYS 31 -3.677 12.936 -12.429 245 HD2 LYS 31 HD2 LYS 31 -6.500 12.670 -13.455 246 HD3 LYS 31 HD3 LYS 31 -5.998 13.863 -12.255 247 HE2 LYS 31 HE2 LYS 31 -4.162 14.044 -14.378 248 HE3 LYS 31 HE3 LYS 31 -5.761 13.946 -15.113 249 HZ1 LYS 31 HZ1 LYS 31 -6.433 15.890 -14.127 250 HZ2 LYS 31 HZ2 LYS 31 -4.801 16.231 -14.410 251 HZ3 LYS 31 HZ3 LYS 31 -5.315 15.784 -12.862 252 H GLN 32 H GLN 32 -3.928 8.886 -15.544 253 HA GLN 32 HA GLN 32 -4.849 9.980 -18.020 254 HB2 GLN 32 HB2 GLN 32 -2.596 9.185 -17.925 255 HB3 GLN 32 HB3 GLN 32 -3.114 7.604 -17.355 256 HG2 GLN 32 HG2 GLN 32 -4.388 8.167 -19.846 257 HG3 GLN 32 HG3 GLN 32 -2.652 8.436 -19.999 258 HE21 GLN 32 HE21 GLN 32 -4.441 6.124 -18.012 259 HE22 GLN 32 HE22 GLN 32 -3.732 4.709 -18.706 260 H TYR 33 H TYR 33 -5.321 6.884 -16.345 261 HA TYR 33 HA TYR 33 -6.931 5.670 -18.291 262 HB2 TYR 33 HB2 TYR 33 -5.834 4.771 -16.042 263 HB3 TYR 33 HB3 TYR 33 -7.443 5.100 -15.409 264 HD1 TYR 33 HD1 TYR 33 -5.913 3.483 -18.419 265 HD2 TYR 33 HD2 TYR 33 -8.923 3.338 -15.415 266 HE1 TYR 33 HE1 TYR 33 -6.699 1.334 -19.319 267 HE2 TYR 33 HE2 TYR 33 -9.716 1.187 -16.306 268 HH TYR 33 HH TYR 33 -8.241 -0.791 -17.925 269 H ALA 34 H ALA 34 -7.763 7.712 -15.524 270 HA ALA 34 HA ALA 34 -10.584 7.493 -15.890 271 HB1 ALA 34 HB1 ALA 34 -10.798 8.941 -14.101 272 HB2 ALA 34 HB2 ALA 34 -9.239 8.181 -13.780 273 HB3 ALA 34 HB3 ALA 34 -9.304 9.798 -14.480 274 H ASN 35 H ASN 35 -8.178 9.970 -16.728 275 HA ASN 35 HA ASN 35 -9.982 11.807 -17.861 276 HB2 ASN 35 HB2 ASN 35 -7.840 12.640 -17.322 277 HB3 ASN 35 HB3 ASN 35 -7.025 11.352 -18.205 278 HD21 ASN 35 HD21 ASN 35 -6.093 12.050 -19.972 279 HD22 ASN 35 HD22 ASN 35 -6.681 13.294 -21.018 280 H ASP 36 H ASP 36 -8.299 9.025 -19.183 281 HA ASP 36 HA ASP 36 -8.710 9.480 -21.905 282 HB2 ASP 36 HB2 ASP 36 -7.234 7.718 -21.133 283 HB3 ASP 36 HB3 ASP 36 -8.584 6.870 -20.383 284 H ASN 37 H ASN 37 -10.882 8.338 -19.428 285 HA ASN 37 HA ASN 37 -12.897 7.482 -21.319 286 HB2 ASN 37 HB2 ASN 37 -12.343 6.801 -18.719 287 HB3 ASN 37 HB3 ASN 37 -13.730 7.869 -18.529 288 HD21 ASN 37 HD21 ASN 37 -12.906 4.764 -18.787 289 HD22 ASN 37 HD22 ASN 37 -14.328 4.118 -19.525 290 H GLY 38 H GLY 38 -11.875 10.421 -20.141 291 HA2 GLY 38 HA2 GLY 38 -12.756 12.524 -20.570 292 HA3 GLY 38 HA3 GLY 38 -14.211 11.754 -21.185 293 H VAL 39 H VAL 39 -13.043 10.862 -18.054 294 HA VAL 39 HA VAL 39 -15.468 11.553 -16.783 295 HB VAL 39 HB VAL 39 -13.941 9.765 -15.984 296 HG11 VAL 39 HG11 VAL 39 -11.988 11.682 -16.159 297 HG12 VAL 39 HG12 VAL 39 -12.262 11.568 -14.420 298 HG13 VAL 39 HG13 VAL 39 -11.829 10.128 -15.342 299 HG21 VAL 39 HG21 VAL 39 -15.296 11.758 -14.386 300 HG22 VAL 39 HG22 VAL 39 -15.249 10.005 -14.196 301 HG23 VAL 39 HG23 VAL 39 -13.975 11.003 -13.494 302 H ASP 40 H ASP 40 -16.105 13.324 -15.694 303 HA ASP 40 HA ASP 40 -14.133 15.471 -15.274 304 HB2 ASP 40 HB2 ASP 40 -15.731 15.831 -17.237 305 HB3 ASP 40 HB3 ASP 40 -17.006 15.985 -16.031 306 H GLY 41 H GLY 41 -14.303 16.640 -13.392 307 HA2 GLY 41 HA2 GLY 41 -16.339 17.026 -11.668 308 HA3 GLY 41 HA3 GLY 41 -15.840 15.385 -11.283 309 H GLU 42 H GLU 42 -14.947 15.652 -9.307 310 HA GLU 42 HA GLU 42 -12.662 17.503 -9.132 311 HB2 GLU 42 HB2 GLU 42 -14.848 17.978 -7.754 312 HB3 GLU 42 HB3 GLU 42 -14.220 16.720 -6.700 313 HG2 GLU 42 HG2 GLU 42 -13.585 18.915 -5.901 314 HG3 GLU 42 HG3 GLU 42 -12.165 17.992 -6.389 315 H TRP 43 H TRP 43 -10.851 16.807 -7.979 316 HA TRP 43 HA TRP 43 -10.798 13.919 -7.393 317 HB2 TRP 43 HB2 TRP 43 -8.769 15.704 -8.704 318 HB3 TRP 43 HB3 TRP 43 -8.264 14.226 -7.890 319 HD1 TRP 43 HD1 TRP 43 -10.362 15.409 -10.891 320 HE1 TRP 43 HE1 TRP 43 -10.580 13.453 -12.548 321 HE3 TRP 43 HE3 TRP 43 -8.174 11.730 -8.095 322 HZ2 TRP 43 HZ2 TRP 43 -9.913 10.712 -12.656 323 HZ3 TRP 43 HZ3 TRP 43 -8.004 9.468 -9.048 324 HH2 TRP 43 HH2 TRP 43 -8.857 8.972 -11.282 325 H THR 44 H THR 44 -9.895 13.239 -5.503 326 HA THR 44 HA THR 44 -9.036 15.352 -3.636 327 HB THR 44 HB THR 44 -11.149 14.147 -3.029 328 HG1 THR 44 HG1 THR 44 -10.590 14.245 -0.941 329 HG21 THR 44 HG21 THR 44 -10.967 11.860 -2.163 330 HG22 THR 44 HG22 THR 44 -9.277 11.804 -2.664 331 HG23 THR 44 HG23 THR 44 -10.553 11.931 -3.875 332 H TYR 45 H TYR 45 -7.375 14.818 -2.104 333 HA TYR 45 HA TYR 45 -5.765 12.453 -2.669 334 HB2 TYR 45 HB2 TYR 45 -3.693 13.835 -2.824 335 HB3 TYR 45 HB3 TYR 45 -4.797 14.070 -4.174 336 HD1 TYR 45 HD1 TYR 45 -6.283 16.127 -4.168 337 HD2 TYR 45 HD2 TYR 45 -3.002 15.652 -1.502 338 HE1 TYR 45 HE1 TYR 45 -6.270 18.552 -3.763 339 HE2 TYR 45 HE2 TYR 45 -2.980 18.076 -1.088 340 HH TYR 45 HH TYR 45 -5.429 20.204 -2.498 341 H ASP 46 H ASP 46 -5.529 11.534 -0.750 342 HA ASP 46 HA ASP 46 -4.995 13.261 1.579 343 HB2 ASP 46 HB2 ASP 46 -6.340 10.552 1.618 344 HB3 ASP 46 HB3 ASP 46 -6.121 11.642 2.984 345 H ASP 47 H ASP 47 -2.804 13.179 1.664 346 HA ASP 47 HA ASP 47 -1.249 10.883 1.125 347 HB2 ASP 47 HB2 ASP 47 -0.780 13.598 2.169 348 HB3 ASP 47 HB3 ASP 47 0.367 12.384 2.732 349 H ALA 48 H ALA 48 -3.178 11.696 3.773 350 HA ALA 48 HA ALA 48 -1.683 10.454 5.855 351 HB1 ALA 48 HB1 ALA 48 -3.209 11.841 6.794 352 HB2 ALA 48 HB2 ALA 48 -4.417 11.541 5.545 353 HB3 ALA 48 HB3 ALA 48 -4.165 10.360 6.830 354 H THR 49 H THR 49 -4.369 9.382 3.795 355 HA THR 49 HA THR 49 -3.904 6.630 4.739 356 HB THR 49 HB THR 49 -6.189 6.131 3.880 357 HG1 THR 49 HG1 THR 49 -7.516 8.053 3.496 358 HG21 THR 49 HG21 THR 49 -5.922 8.300 5.961 359 HG22 THR 49 HG22 THR 49 -5.958 6.557 6.227 360 HG23 THR 49 HG23 THR 49 -7.406 7.395 5.669 361 H LYS 50 H LYS 50 -3.045 8.572 2.297 362 HA LYS 50 HA LYS 50 -2.461 8.316 0.105 363 HB2 LYS 50 HB2 LYS 50 -2.095 5.400 0.766 364 HB3 LYS 50 HB3 LYS 50 -1.185 6.379 -0.377 365 HG2 LYS 50 HG2 LYS 50 -1.136 6.738 2.612 366 HG3 LYS 50 HG3 LYS 50 0.073 5.856 1.675 367 HD2 LYS 50 HD2 LYS 50 0.445 7.967 0.362 368 HD3 LYS 50 HD3 LYS 50 -0.587 8.794 1.532 369 HE2 LYS 50 HE2 LYS 50 1.804 9.047 2.051 370 HE3 LYS 50 HE3 LYS 50 0.928 8.205 3.329 371 HZ1 LYS 50 HZ1 LYS 50 2.385 6.742 1.211 372 HZ2 LYS 50 HZ2 LYS 50 1.855 6.167 2.711 373 HZ3 LYS 50 HZ3 LYS 50 3.151 7.250 2.631 374 H THR 51 H THR 51 -5.161 8.343 0.323 375 HA THR 51 HA THR 51 -5.996 6.317 -1.647 376 HB THR 51 HB THR 51 -7.000 5.960 0.638 377 HG1 THR 51 HG1 THR 51 -8.631 5.143 -0.436 378 HG21 THR 51 HG21 THR 51 -8.910 8.167 0.149 379 HG22 THR 51 HG22 THR 51 -7.315 8.625 0.746 380 HG23 THR 51 HG23 THR 51 -8.312 7.501 1.667 381 H PHE 52 H PHE 52 -7.145 7.023 -3.385 382 HA PHE 52 HA PHE 52 -7.642 9.923 -3.542 383 HB2 PHE 52 HB2 PHE 52 -6.430 8.006 -5.440 384 HB3 PHE 52 HB3 PHE 52 -7.542 9.175 -6.144 385 HD1 PHE 52 HD1 PHE 52 -5.077 9.483 -3.368 386 HD2 PHE 52 HD2 PHE 52 -6.287 10.759 -7.245 387 HE1 PHE 52 HE1 PHE 52 -3.291 11.176 -3.365 388 HE2 PHE 52 HE2 PHE 52 -4.503 12.453 -7.247 389 HZ PHE 52 HZ PHE 52 -3.002 12.663 -5.306 390 H THR 53 H THR 53 -9.463 10.612 -4.817 391 HA THR 53 HA THR 53 -11.489 8.598 -5.413 392 HB THR 53 HB THR 53 -12.328 10.974 -3.781 393 HG1 THR 53 HG1 THR 53 -11.993 9.819 -1.918 394 HG21 THR 53 HG21 THR 53 -14.330 10.056 -4.116 395 HG22 THR 53 HG22 THR 53 -13.800 8.632 -3.220 396 HG23 THR 53 HG23 THR 53 -13.597 8.699 -4.971 397 H VAL 54 H VAL 54 -13.206 9.379 -6.755 398 HA VAL 54 HA VAL 54 -12.811 12.033 -7.934 399 HB VAL 54 HB VAL 54 -11.596 10.577 -9.424 400 HG11 VAL 54 HG11 VAL 54 -12.150 8.452 -9.744 401 HG12 VAL 54 HG12 VAL 54 -13.567 8.689 -8.719 402 HG13 VAL 54 HG13 VAL 54 -13.688 8.931 -10.462 403 HG21 VAL 54 HG21 VAL 54 -14.277 11.185 -10.660 404 HG22 VAL 54 HG22 VAL 54 -13.016 12.385 -10.378 405 HG23 VAL 54 HG23 VAL 54 -12.728 11.047 -11.491 406 H THR 55 H THR 55 -14.681 13.070 -7.842 407 HA THR 55 HA THR 55 -17.170 11.524 -8.168 408 HB THR 55 HB THR 55 -16.706 13.954 -6.429 409 HG1 THR 55 HG1 THR 55 -16.406 12.498 -4.935 410 HG21 THR 55 HG21 THR 55 -19.240 12.425 -7.027 411 HG22 THR 55 HG22 THR 55 -18.900 14.109 -7.427 412 HG23 THR 55 HG23 THR 55 -19.070 13.619 -5.742 413 H GLU 56 H GLU 56 -18.579 12.198 -9.678 414 HA GLU 56 HA GLU 56 -17.911 14.664 -11.136 415 HB2 GLU 56 HB2 GLU 56 -19.696 12.484 -12.183 416 HB3 GLU 56 HB3 GLU 56 -18.812 13.706 -13.086 417 HG2 GLU 56 HG2 GLU 56 -16.697 12.598 -12.386 418 HG3 GLU 56 HG3 GLU 56 -17.668 11.314 -11.668 Start of MODEL 11 1 H MET 1 H MET 1 2.479 1.836 0.086 2 HA MET 1 HA MET 1 3.234 1.281 -1.985 3 HB2 MET 1 HB2 MET 1 3.753 -0.876 -0.992 4 HB3 MET 1 HB3 MET 1 2.100 -1.421 -1.241 5 HG2 MET 1 HG2 MET 1 2.422 -1.264 -3.663 6 HG3 MET 1 HG3 MET 1 4.085 -0.747 -3.399 7 HE1 MET 1 HE1 MET 1 2.687 -3.625 -4.978 8 HE2 MET 1 HE2 MET 1 2.549 -4.912 -3.781 9 HE3 MET 1 HE3 MET 1 1.556 -3.461 -3.635 10 H GLN 2 H GLN 2 0.309 -0.745 -1.825 11 HA GLN 2 HA GLN 2 -0.562 0.308 -4.381 12 HB2 GLN 2 HB2 GLN 2 -2.335 -1.371 -4.236 13 HB3 GLN 2 HB3 GLN 2 -0.759 -2.091 -3.938 14 HG2 GLN 2 HG2 GLN 2 -2.121 -3.060 -2.334 15 HG3 GLN 2 HG3 GLN 2 -1.296 -1.773 -1.456 16 HE21 GLN 2 HE21 GLN 2 -4.111 -1.832 -3.614 17 HE22 GLN 2 HE22 GLN 2 -5.195 -1.075 -2.502 18 H TYR 3 H TYR 3 -2.516 1.382 -4.755 19 HA TYR 3 HA TYR 3 -3.736 2.598 -2.362 20 HB2 TYR 3 HB2 TYR 3 -3.977 4.659 -3.509 21 HB3 TYR 3 HB3 TYR 3 -2.330 4.128 -3.831 22 HD1 TYR 3 HD1 TYR 3 -1.597 3.675 -6.046 23 HD2 TYR 3 HD2 TYR 3 -5.715 4.428 -5.284 24 HE1 TYR 3 HE1 TYR 3 -2.003 3.871 -8.464 25 HE2 TYR 3 HE2 TYR 3 -6.132 4.625 -7.700 26 HH TYR 3 HH TYR 3 -3.515 4.170 -10.059 27 H LYS 4 H LYS 4 -5.985 3.294 -2.636 28 HA LYS 4 HA LYS 4 -7.440 1.514 -4.481 29 HB2 LYS 4 HB2 LYS 4 -7.859 0.825 -2.227 30 HB3 LYS 4 HB3 LYS 4 -8.159 2.480 -1.713 31 HG2 LYS 4 HG2 LYS 4 -10.212 2.561 -2.930 32 HG3 LYS 4 HG3 LYS 4 -9.881 1.002 -3.689 33 HD2 LYS 4 HD2 LYS 4 -11.277 0.312 -2.021 34 HD3 LYS 4 HD3 LYS 4 -9.739 0.220 -1.160 35 HE2 LYS 4 HE2 LYS 4 -10.125 2.349 -0.125 36 HE3 LYS 4 HE3 LYS 4 -11.558 2.623 -1.114 37 HZ1 LYS 4 HZ1 LYS 4 -11.400 1.366 1.371 38 HZ2 LYS 4 HZ2 LYS 4 -11.854 0.188 0.246 39 HZ3 LYS 4 HZ3 LYS 4 -12.771 1.600 0.408 40 H LEU 5 H LEU 5 -8.941 2.369 -5.814 41 HA LEU 5 HA LEU 5 -9.325 5.282 -5.686 42 HB2 LEU 5 HB2 LEU 5 -8.478 3.694 -7.767 43 HB3 LEU 5 HB3 LEU 5 -10.185 3.943 -8.129 44 HG LEU 5 HG LEU 5 -8.598 5.553 -9.220 45 HD11 LEU 5 HD11 LEU 5 -10.269 7.280 -7.547 46 HD12 LEU 5 HD12 LEU 5 -11.122 5.920 -8.278 47 HD13 LEU 5 HD13 LEU 5 -10.248 7.065 -9.297 48 HD21 LEU 5 HD21 LEU 5 -7.530 5.738 -6.667 49 HD22 LEU 5 HD22 LEU 5 -8.388 7.263 -6.893 50 HD23 LEU 5 HD23 LEU 5 -7.148 6.768 -8.047 51 H ILE 6 H ILE 6 -11.289 6.099 -5.325 52 HA ILE 6 HA ILE 6 -13.561 4.231 -5.261 53 HB ILE 6 HB ILE 6 -13.200 6.865 -3.828 54 HG12 ILE 6 HG12 ILE 6 -13.522 5.113 -1.856 55 HG13 ILE 6 HG13 ILE 6 -12.875 4.000 -3.056 56 HG21 ILE 6 HG21 ILE 6 -15.313 6.180 -2.656 57 HG22 ILE 6 HG22 ILE 6 -15.508 6.640 -4.347 58 HG23 ILE 6 HG23 ILE 6 -15.510 4.937 -3.891 59 HD11 ILE 6 HD11 ILE 6 -10.835 4.664 -2.544 60 HD12 ILE 6 HD12 ILE 6 -11.238 6.302 -3.060 61 HD13 ILE 6 HD13 ILE 6 -11.489 5.819 -1.383 62 H LEU 7 H LEU 7 -15.122 4.450 -6.717 63 HA LEU 7 HA LEU 7 -15.159 6.851 -8.391 64 HB2 LEU 7 HB2 LEU 7 -16.058 4.037 -8.726 65 HB3 LEU 7 HB3 LEU 7 -16.898 5.293 -9.633 66 HG LEU 7 HG LEU 7 -15.003 4.050 -10.804 67 HD11 LEU 7 HD11 LEU 7 -15.361 5.774 -12.156 68 HD12 LEU 7 HD12 LEU 7 -14.068 6.623 -11.308 69 HD13 LEU 7 HD13 LEU 7 -15.744 6.838 -10.802 70 HD21 LEU 7 HD21 LEU 7 -12.753 4.865 -10.378 71 HD22 LEU 7 HD22 LEU 7 -13.420 4.109 -8.931 72 HD23 LEU 7 HD23 LEU 7 -13.348 5.868 -9.054 73 H ASN 8 H ASN 8 -16.523 8.408 -7.843 74 HA ASN 8 HA ASN 8 -19.068 7.665 -6.559 75 HB2 ASN 8 HB2 ASN 8 -17.263 9.190 -5.390 76 HB3 ASN 8 HB3 ASN 8 -17.964 10.442 -6.411 77 HD21 ASN 8 HD21 ASN 8 -20.500 10.255 -6.395 78 HD22 ASN 8 HD22 ASN 8 -21.189 10.207 -4.811 79 H GLY 9 H GLY 9 -19.583 7.291 -8.963 80 HA2 GLY 9 HA2 GLY 9 -20.051 9.683 -10.521 81 HA3 GLY 9 HA3 GLY 9 -20.448 8.036 -10.988 82 H LYS 10 H LYS 10 -22.196 10.087 -11.507 83 HA LYS 10 HA LYS 10 -24.194 10.222 -9.429 84 HB2 LYS 10 HB2 LYS 10 -24.535 11.102 -12.290 85 HB3 LYS 10 HB3 LYS 10 -25.380 11.692 -10.866 86 HG2 LYS 10 HG2 LYS 10 -22.462 12.112 -11.479 87 HG3 LYS 10 HG3 LYS 10 -23.746 13.307 -11.676 88 HD2 LYS 10 HD2 LYS 10 -23.118 13.946 -9.606 89 HD3 LYS 10 HD3 LYS 10 -24.127 12.590 -9.096 90 HE2 LYS 10 HE2 LYS 10 -22.366 11.492 -8.288 91 HE3 LYS 10 HE3 LYS 10 -21.467 11.707 -9.790 92 HZ1 LYS 10 HZ1 LYS 10 -21.532 13.453 -7.413 93 HZ2 LYS 10 HZ2 LYS 10 -21.073 14.067 -8.920 94 HZ3 LYS 10 HZ3 LYS 10 -20.192 12.805 -8.217 95 H THR 11 H THR 11 -23.831 8.647 -12.576 96 HA THR 11 HA THR 11 -26.209 7.020 -11.951 97 HB THR 11 HB THR 11 -26.505 8.456 -13.949 98 HG1 THR 11 HG1 THR 11 -26.318 5.836 -14.945 99 HG21 THR 11 HG21 THR 11 -25.226 8.112 -15.943 100 HG22 THR 11 HG22 THR 11 -24.356 6.761 -15.217 101 HG23 THR 11 HG23 THR 11 -24.089 8.401 -14.627 102 H LEU 12 H LEU 12 -23.151 6.746 -11.505 103 HA LEU 12 HA LEU 12 -23.087 3.911 -12.044 104 HB2 LEU 12 HB2 LEU 12 -21.113 3.877 -13.362 105 HB3 LEU 12 HB3 LEU 12 -22.252 4.975 -14.139 106 HG LEU 12 HG LEU 12 -20.712 6.629 -12.530 107 HD11 LEU 12 HD11 LEU 12 -19.244 4.415 -12.515 108 HD12 LEU 12 HD12 LEU 12 -18.525 6.023 -12.587 109 HD13 LEU 12 HD13 LEU 12 -18.708 5.074 -14.061 110 HD21 LEU 12 HD21 LEU 12 -21.509 7.217 -14.716 111 HD22 LEU 12 HD22 LEU 12 -20.516 5.965 -15.464 112 HD23 LEU 12 HD23 LEU 12 -19.751 7.360 -14.702 113 H LYS 13 H LYS 13 -21.746 2.807 -10.668 114 HA LYS 13 HA LYS 13 -19.909 4.332 -8.978 115 HB2 LYS 13 HB2 LYS 13 -22.177 2.615 -7.968 116 HB3 LYS 13 HB3 LYS 13 -20.809 3.082 -6.967 117 HG2 LYS 13 HG2 LYS 13 -22.708 4.995 -8.310 118 HG3 LYS 13 HG3 LYS 13 -22.768 4.513 -6.613 119 HD2 LYS 13 HD2 LYS 13 -20.153 5.319 -6.951 120 HD3 LYS 13 HD3 LYS 13 -21.060 6.461 -7.945 121 HE2 LYS 13 HE2 LYS 13 -21.437 5.870 -5.015 122 HE3 LYS 13 HE3 LYS 13 -20.876 7.374 -5.742 123 HZ1 LYS 13 HZ1 LYS 13 -23.084 7.799 -5.287 124 HZ2 LYS 13 HZ2 LYS 13 -23.596 6.242 -5.704 125 HZ3 LYS 13 HZ3 LYS 13 -23.148 7.338 -6.913 126 H GLY 14 H GLY 14 -18.250 3.091 -8.027 127 HA2 GLY 14 HA2 GLY 14 -18.087 0.275 -8.182 128 HA3 GLY 14 HA3 GLY 14 -17.266 0.979 -9.568 129 H GLU 15 H GLU 15 -15.643 -0.434 -8.140 130 HA GLU 15 HA GLU 15 -13.947 1.535 -6.835 131 HB2 GLU 15 HB2 GLU 15 -15.526 0.139 -5.190 132 HB3 GLU 15 HB3 GLU 15 -14.229 -1.034 -5.365 133 HG2 GLU 15 HG2 GLU 15 -12.741 0.226 -4.218 134 HG3 GLU 15 HG3 GLU 15 -13.440 1.749 -4.764 135 H THR 16 H THR 16 -11.848 1.218 -7.282 136 HA THR 16 HA THR 16 -10.991 -1.425 -8.238 137 HB THR 16 HB THR 16 -9.589 0.673 -9.647 138 HG1 THR 16 HG1 THR 16 -11.511 1.838 -9.564 139 HG21 THR 16 HG21 THR 16 -10.166 -0.671 -11.583 140 HG22 THR 16 HG22 THR 16 -11.374 -1.550 -10.646 141 HG23 THR 16 HG23 THR 16 -9.662 -1.722 -10.260 142 H THR 17 H THR 17 -8.694 -1.793 -8.107 143 HA THR 17 HA THR 17 -7.306 0.015 -6.241 144 HB THR 17 HB THR 17 -6.270 -2.579 -5.843 145 HG1 THR 17 HG1 THR 17 -8.077 -3.788 -5.366 146 HG21 THR 17 HG21 THR 17 -8.144 -0.977 -4.098 147 HG22 THR 17 HG22 THR 17 -6.399 -0.742 -4.199 148 HG23 THR 17 HG23 THR 17 -7.050 -2.253 -3.565 149 H THR 18 H THR 18 -4.992 -0.005 -6.367 150 HA THR 18 HA THR 18 -3.803 -1.299 -8.697 151 HB THR 18 HB THR 18 -3.799 1.691 -8.272 152 HG1 THR 18 HG1 THR 18 -5.505 1.156 -9.537 153 HG21 THR 18 HG21 THR 18 -1.613 1.431 -8.910 154 HG22 THR 18 HG22 THR 18 -2.382 1.462 -10.497 155 HG23 THR 18 HG23 THR 18 -1.928 -0.077 -9.766 156 H GLU 19 H GLU 19 -1.618 -1.691 -8.508 157 HA GLU 19 HA GLU 19 -0.421 -0.970 -5.914 158 HB2 GLU 19 HB2 GLU 19 0.984 -3.030 -6.235 159 HB3 GLU 19 HB3 GLU 19 -0.730 -3.333 -5.990 160 HG2 GLU 19 HG2 GLU 19 -0.057 -3.060 -8.795 161 HG3 GLU 19 HG3 GLU 19 0.849 -4.350 -8.007 162 H ALA 20 H ALA 20 1.398 0.187 -5.920 163 HA ALA 20 HA ALA 20 3.182 0.131 -8.218 164 HB1 ALA 20 HB1 ALA 20 2.713 2.141 -9.047 165 HB2 ALA 20 HB2 ALA 20 1.262 2.127 -8.045 166 HB3 ALA 20 HB3 ALA 20 2.738 2.884 -7.448 167 H VAL 21 H VAL 21 5.254 1.110 -7.791 168 HA VAL 21 HA VAL 21 6.097 0.701 -5.076 169 HB VAL 21 HB VAL 21 7.715 1.779 -7.387 170 HG11 VAL 21 HG11 VAL 21 8.864 2.208 -5.368 171 HG12 VAL 21 HG12 VAL 21 8.450 0.625 -4.708 172 HG13 VAL 21 HG13 VAL 21 9.597 0.753 -6.042 173 HG21 VAL 21 HG21 VAL 21 7.073 -0.270 -8.213 174 HG22 VAL 21 HG22 VAL 21 8.532 -0.709 -7.325 175 HG23 VAL 21 HG23 VAL 21 6.945 -0.998 -6.611 176 H ASP 22 H ASP 22 5.119 3.392 -6.973 177 HA ASP 22 HA ASP 22 5.823 5.186 -4.756 178 HB2 ASP 22 HB2 ASP 22 7.090 5.250 -7.230 179 HB3 ASP 22 HB3 ASP 22 5.883 6.528 -7.340 180 H ALA 23 H ALA 23 4.404 6.919 -4.416 181 HA ALA 23 HA ALA 23 1.693 6.400 -5.138 182 HB1 ALA 23 HB1 ALA 23 1.190 8.434 -3.852 183 HB2 ALA 23 HB2 ALA 23 2.236 7.324 -2.965 184 HB3 ALA 23 HB3 ALA 23 2.918 8.764 -3.722 185 H ALA 24 H ALA 24 4.124 8.747 -6.148 186 HA ALA 24 HA ALA 24 2.468 10.435 -7.652 187 HB1 ALA 24 HB1 ALA 24 5.234 10.179 -7.139 188 HB2 ALA 24 HB2 ALA 24 5.029 10.255 -8.889 189 HB3 ALA 24 HB3 ALA 24 4.379 11.538 -7.869 190 H THR 25 H THR 25 4.182 7.469 -8.529 191 HA THR 25 HA THR 25 3.411 7.597 -11.290 192 HB THR 25 HB THR 25 4.487 5.242 -9.726 193 HG1 THR 25 HG1 THR 25 6.454 6.008 -10.179 194 HG21 THR 25 HG21 THR 25 3.658 4.293 -11.666 195 HG22 THR 25 HG22 THR 25 5.305 4.700 -12.148 196 HG23 THR 25 HG23 THR 25 3.964 5.739 -12.627 197 H ALA 26 H ALA 26 2.268 5.896 -8.415 198 HA ALA 26 HA ALA 26 0.414 4.206 -9.687 199 HB1 ALA 26 HB1 ALA 26 1.311 4.298 -7.211 200 HB2 ALA 26 HB2 ALA 26 -0.158 5.242 -6.958 201 HB3 ALA 26 HB3 ALA 26 -0.263 3.599 -7.590 202 H GLU 27 H GLU 27 0.036 7.432 -8.247 203 HA GLU 27 HA GLU 27 -2.740 7.642 -8.770 204 HB2 GLU 27 HB2 GLU 27 -1.556 9.022 -7.096 205 HB3 GLU 27 HB3 GLU 27 -0.709 9.849 -8.395 206 HG2 GLU 27 HG2 GLU 27 -3.287 10.192 -9.155 207 HG3 GLU 27 HG3 GLU 27 -3.441 10.198 -7.399 208 H LYS 28 H LYS 28 0.139 8.515 -10.591 209 HA LYS 28 HA LYS 28 -1.070 10.062 -12.589 210 HB2 LYS 28 HB2 LYS 28 1.443 8.441 -12.436 211 HB3 LYS 28 HB3 LYS 28 0.944 9.117 -13.981 212 HG2 LYS 28 HG2 LYS 28 0.866 11.054 -11.808 213 HG3 LYS 28 HG3 LYS 28 2.473 10.379 -12.089 214 HD2 LYS 28 HD2 LYS 28 2.232 10.939 -14.495 215 HD3 LYS 28 HD3 LYS 28 0.691 11.717 -14.125 216 HE2 LYS 28 HE2 LYS 28 2.361 12.884 -12.310 217 HE3 LYS 28 HE3 LYS 28 3.436 12.651 -13.688 218 HZ1 LYS 28 HZ1 LYS 28 0.988 13.648 -14.621 219 HZ2 LYS 28 HZ2 LYS 28 2.508 14.388 -14.667 220 HZ3 LYS 28 HZ3 LYS 28 1.492 14.624 -13.335 221 H VAL 29 H VAL 29 -0.728 6.584 -12.228 222 HA VAL 29 HA VAL 29 -1.399 5.748 -14.792 223 HB VAL 29 HB VAL 29 -2.224 4.377 -12.231 224 HG11 VAL 29 HG11 VAL 29 -2.780 2.585 -13.457 225 HG12 VAL 29 HG12 VAL 29 -2.871 3.724 -14.801 226 HG13 VAL 29 HG13 VAL 29 -1.404 2.780 -14.541 227 HG21 VAL 29 HG21 VAL 29 0.380 4.990 -13.190 228 HG22 VAL 29 HG22 VAL 29 -0.077 4.037 -11.778 229 HG23 VAL 29 HG23 VAL 29 0.129 3.251 -13.343 230 H PHE 30 H PHE 30 -3.562 6.291 -12.013 231 HA PHE 30 HA PHE 30 -5.933 5.828 -13.534 232 HB2 PHE 30 HB2 PHE 30 -5.315 6.005 -10.833 233 HB3 PHE 30 HB3 PHE 30 -6.311 7.426 -11.127 234 HD1 PHE 30 HD1 PHE 30 -8.598 7.139 -12.082 235 HD2 PHE 30 HD2 PHE 30 -6.250 3.847 -10.750 236 HE1 PHE 30 HE1 PHE 30 -10.621 5.743 -11.977 237 HE2 PHE 30 HE2 PHE 30 -8.270 2.446 -10.645 238 HZ PHE 30 HZ PHE 30 -10.459 3.393 -11.260 239 H LYS 31 H LYS 31 -4.109 8.673 -12.565 240 HA LYS 31 HA LYS 31 -5.978 10.641 -13.260 241 HB2 LYS 31 HB2 LYS 31 -4.139 11.378 -12.005 242 HB3 LYS 31 HB3 LYS 31 -2.979 10.612 -13.082 243 HG2 LYS 31 HG2 LYS 31 -3.022 13.080 -13.248 244 HG3 LYS 31 HG3 LYS 31 -3.365 12.261 -14.774 245 HD2 LYS 31 HD2 LYS 31 -5.815 12.553 -14.241 246 HD3 LYS 31 HD3 LYS 31 -5.316 13.608 -12.916 247 HE2 LYS 31 HE2 LYS 31 -5.924 14.792 -15.038 248 HE3 LYS 31 HE3 LYS 31 -4.311 15.153 -14.423 249 HZ1 LYS 31 HZ1 LYS 31 -4.550 12.967 -16.343 250 HZ2 LYS 31 HZ2 LYS 31 -3.317 14.109 -16.152 251 HZ3 LYS 31 HZ3 LYS 31 -4.751 14.538 -16.939 252 H GLN 32 H GLN 32 -3.261 9.346 -15.173 253 HA GLN 32 HA GLN 32 -3.950 10.758 -17.532 254 HB2 GLN 32 HB2 GLN 32 -1.697 10.011 -17.280 255 HB3 GLN 32 HB3 GLN 32 -2.208 8.345 -17.041 256 HG2 GLN 32 HG2 GLN 32 -3.179 9.284 -19.559 257 HG3 GLN 32 HG3 GLN 32 -1.450 9.602 -19.434 258 HE21 GLN 32 HE21 GLN 32 -3.386 6.968 -18.091 259 HE22 GLN 32 HE22 GLN 32 -2.543 5.698 -18.904 260 H TYR 33 H TYR 33 -4.511 7.414 -16.481 261 HA TYR 33 HA TYR 33 -5.766 6.485 -18.794 262 HB2 TYR 33 HB2 TYR 33 -5.043 4.970 -17.036 263 HB3 TYR 33 HB3 TYR 33 -6.204 5.671 -15.914 264 HD1 TYR 33 HD1 TYR 33 -7.730 3.998 -15.407 265 HD2 TYR 33 HD2 TYR 33 -6.603 4.598 -19.466 266 HE1 TYR 33 HE1 TYR 33 -9.412 2.347 -16.112 267 HE2 TYR 33 HE2 TYR 33 -8.283 2.950 -20.182 268 HH TYR 33 HH TYR 33 -10.499 1.460 -17.866 269 H ALA 34 H ALA 34 -7.136 8.043 -15.920 270 HA ALA 34 HA ALA 34 -9.835 7.890 -16.834 271 HB1 ALA 34 HB1 ALA 34 -9.011 8.138 -14.429 272 HB2 ALA 34 HB2 ALA 34 -8.827 9.853 -14.799 273 HB3 ALA 34 HB3 ALA 34 -10.414 9.092 -14.910 274 H ASN 35 H ASN 35 -7.404 10.480 -16.758 275 HA ASN 35 HA ASN 35 -8.994 12.522 -17.813 276 HB2 ASN 35 HB2 ASN 35 -6.953 13.214 -16.892 277 HB3 ASN 35 HB3 ASN 35 -6.031 12.018 -17.799 278 HD21 ASN 35 HD21 ASN 35 -4.647 13.258 -18.898 279 HD22 ASN 35 HD22 ASN 35 -5.100 14.507 -20.002 280 H ASP 36 H ASP 36 -6.884 10.187 -19.456 281 HA ASP 36 HA ASP 36 -7.232 11.133 -22.064 282 HB2 ASP 36 HB2 ASP 36 -5.526 9.456 -21.345 283 HB3 ASP 36 HB3 ASP 36 -6.811 8.256 -21.232 284 H ASN 37 H ASN 37 -9.349 9.350 -20.006 285 HA ASN 37 HA ASN 37 -11.028 8.375 -22.143 286 HB2 ASN 37 HB2 ASN 37 -10.794 7.967 -19.280 287 HB3 ASN 37 HB3 ASN 37 -12.472 8.215 -19.754 288 HD21 ASN 37 HD21 ASN 37 -9.579 6.390 -20.662 289 HD22 ASN 37 HD22 ASN 37 -10.421 4.959 -21.141 290 H GLY 38 H GLY 38 -10.562 11.352 -20.794 291 HA2 GLY 38 HA2 GLY 38 -11.716 13.325 -21.123 292 HA3 GLY 38 HA3 GLY 38 -12.944 12.412 -21.986 293 H VAL 39 H VAL 39 -12.057 11.422 -18.792 294 HA VAL 39 HA VAL 39 -14.700 11.634 -17.825 295 HB VAL 39 HB VAL 39 -13.025 10.025 -16.945 296 HG11 VAL 39 HG11 VAL 39 -11.382 12.201 -16.730 297 HG12 VAL 39 HG12 VAL 39 -11.862 11.925 -15.055 298 HG13 VAL 39 HG13 VAL 39 -11.099 10.631 -15.979 299 HG21 VAL 39 HG21 VAL 39 -14.390 11.877 -15.004 300 HG22 VAL 39 HG22 VAL 39 -14.984 10.344 -15.643 301 HG23 VAL 39 HG23 VAL 39 -13.624 10.363 -14.520 302 H ASP 40 H ASP 40 -15.712 13.135 -16.582 303 HA ASP 40 HA ASP 40 -14.207 15.599 -15.985 304 HB2 ASP 40 HB2 ASP 40 -15.983 15.721 -17.822 305 HB3 ASP 40 HB3 ASP 40 -17.169 15.499 -16.539 306 H GLY 41 H GLY 41 -14.489 16.555 -14.002 307 HA2 GLY 41 HA2 GLY 41 -16.396 16.422 -12.136 308 HA3 GLY 41 HA3 GLY 41 -15.641 14.846 -11.949 309 H GLU 42 H GLU 42 -15.077 15.459 -9.794 310 HA GLU 42 HA GLU 42 -12.796 17.323 -9.680 311 HB2 GLU 42 HB2 GLU 42 -14.807 18.100 -8.439 312 HB3 GLU 42 HB3 GLU 42 -14.719 16.651 -7.447 313 HG2 GLU 42 HG2 GLU 42 -12.183 17.973 -7.442 314 HG3 GLU 42 HG3 GLU 42 -13.456 19.117 -7.020 315 H TRP 43 H TRP 43 -10.937 16.653 -8.722 316 HA TRP 43 HA TRP 43 -10.821 13.818 -7.967 317 HB2 TRP 43 HB2 TRP 43 -8.752 15.749 -8.995 318 HB3 TRP 43 HB3 TRP 43 -8.294 14.226 -8.238 319 HD1 TRP 43 HD1 TRP 43 -9.812 15.649 -11.426 320 HE1 TRP 43 HE1 TRP 43 -9.934 13.785 -13.196 321 HE3 TRP 43 HE3 TRP 43 -8.540 11.660 -8.492 322 HZ2 TRP 43 HZ2 TRP 43 -9.544 10.993 -13.331 323 HZ3 TRP 43 HZ3 TRP 43 -8.438 9.427 -9.519 324 HH2 TRP 43 HH2 TRP 43 -8.930 9.102 -11.888 325 H THR 44 H THR 44 -10.146 13.165 -5.990 326 HA THR 44 HA THR 44 -9.471 15.280 -4.049 327 HB THR 44 HB THR 44 -10.565 12.688 -3.082 328 HG1 THR 44 HG1 THR 44 -12.722 13.639 -3.407 329 HG21 THR 44 HG21 THR 44 -11.649 14.189 -1.445 330 HG22 THR 44 HG22 THR 44 -10.946 15.575 -2.278 331 HG23 THR 44 HG23 THR 44 -9.899 14.395 -1.490 332 H TYR 45 H TYR 45 -7.810 14.927 -2.603 333 HA TYR 45 HA TYR 45 -6.288 12.429 -2.891 334 HB2 TYR 45 HB2 TYR 45 -4.196 13.899 -2.698 335 HB3 TYR 45 HB3 TYR 45 -5.034 13.890 -4.246 336 HD1 TYR 45 HD1 TYR 45 -6.414 15.837 -4.915 337 HD2 TYR 45 HD2 TYR 45 -4.038 15.889 -1.386 338 HE1 TYR 45 HE1 TYR 45 -6.597 18.288 -4.835 339 HE2 TYR 45 HE2 TYR 45 -4.216 18.340 -1.295 340 HH TYR 45 HH TYR 45 -5.897 20.098 -2.171 341 H ASP 46 H ASP 46 -6.276 11.498 -0.963 342 HA ASP 46 HA ASP 46 -6.066 13.204 1.430 343 HB2 ASP 46 HB2 ASP 46 -7.163 10.390 1.257 344 HB3 ASP 46 HB3 ASP 46 -7.174 11.437 2.674 345 H ASP 47 H ASP 47 -3.905 13.317 1.776 346 HA ASP 47 HA ASP 47 -2.083 11.198 1.367 347 HB2 ASP 47 HB2 ASP 47 -1.932 13.915 2.067 348 HB3 ASP 47 HB3 ASP 47 -1.173 13.042 3.396 349 H ALA 48 H ALA 48 -4.380 11.719 3.787 350 HA ALA 48 HA ALA 48 -3.027 10.531 5.993 351 HB1 ALA 48 HB1 ALA 48 -4.845 11.123 7.141 352 HB2 ALA 48 HB2 ALA 48 -5.393 11.898 5.654 353 HB3 ALA 48 HB3 ALA 48 -5.922 10.261 6.042 354 H THR 49 H THR 49 -5.349 9.309 3.601 355 HA THR 49 HA THR 49 -4.722 6.572 4.494 356 HB THR 49 HB THR 49 -6.845 5.887 3.426 357 HG1 THR 49 HG1 THR 49 -7.524 8.627 3.223 358 HG21 THR 49 HG21 THR 49 -8.112 6.403 5.253 359 HG22 THR 49 HG22 THR 49 -7.660 8.107 5.222 360 HG23 THR 49 HG23 THR 49 -6.538 6.909 5.867 361 H LYS 50 H LYS 50 -3.799 8.690 2.235 362 HA LYS 50 HA LYS 50 -2.970 8.591 0.111 363 HB2 LYS 50 HB2 LYS 50 -2.411 5.689 0.691 364 HB3 LYS 50 HB3 LYS 50 -1.478 6.801 -0.303 365 HG2 LYS 50 HG2 LYS 50 -1.779 7.005 2.686 366 HG3 LYS 50 HG3 LYS 50 -0.401 6.286 1.850 367 HD2 LYS 50 HD2 LYS 50 -0.090 8.488 0.680 368 HD3 LYS 50 HD3 LYS 50 -1.316 9.157 1.760 369 HE2 LYS 50 HE2 LYS 50 0.972 9.594 2.553 370 HE3 LYS 50 HE3 LYS 50 0.044 8.616 3.689 371 HZ1 LYS 50 HZ1 LYS 50 2.450 7.943 3.103 372 HZ2 LYS 50 HZ2 LYS 50 1.765 7.307 1.693 373 HZ3 LYS 50 HZ3 LYS 50 1.263 6.742 3.207 374 H THR 51 H THR 51 -5.667 8.380 0.031 375 HA THR 51 HA THR 51 -6.105 6.384 -2.092 376 HB THR 51 HB THR 51 -7.306 5.818 0.043 377 HG1 THR 51 HG1 THR 51 -8.169 5.000 -1.840 378 HG21 THR 51 HG21 THR 51 -7.830 8.415 0.313 379 HG22 THR 51 HG22 THR 51 -8.885 7.172 0.985 380 HG23 THR 51 HG23 THR 51 -9.296 7.944 -0.546 381 H PHE 52 H PHE 52 -7.122 7.071 -3.916 382 HA PHE 52 HA PHE 52 -7.806 9.933 -4.032 383 HB2 PHE 52 HB2 PHE 52 -6.451 8.096 -5.940 384 HB3 PHE 52 HB3 PHE 52 -7.492 9.342 -6.621 385 HD1 PHE 52 HD1 PHE 52 -4.670 8.879 -4.244 386 HD2 PHE 52 HD2 PHE 52 -6.661 11.471 -6.970 387 HE1 PHE 52 HE1 PHE 52 -2.850 10.518 -4.009 388 HE2 PHE 52 HE2 PHE 52 -4.844 13.114 -6.741 389 HZ PHE 52 HZ PHE 52 -2.934 12.639 -5.259 390 H THR 53 H THR 53 -9.638 10.585 -5.217 391 HA THR 53 HA THR 53 -11.473 8.519 -6.149 392 HB THR 53 HB THR 53 -12.029 8.849 -3.754 393 HG1 THR 53 HG1 THR 53 -13.988 9.865 -5.563 394 HG21 THR 53 HG21 THR 53 -13.361 11.343 -3.877 395 HG22 THR 53 HG22 THR 53 -11.714 11.600 -4.452 396 HG23 THR 53 HG23 THR 53 -11.993 10.889 -2.863 397 H VAL 54 H VAL 54 -13.200 9.338 -7.459 398 HA VAL 54 HA VAL 54 -12.877 12.124 -8.341 399 HB VAL 54 HB VAL 54 -11.699 10.802 -9.982 400 HG11 VAL 54 HG11 VAL 54 -12.913 8.668 -9.426 401 HG12 VAL 54 HG12 VAL 54 -14.229 9.239 -10.453 402 HG13 VAL 54 HG13 VAL 54 -12.631 8.954 -11.143 403 HG21 VAL 54 HG21 VAL 54 -13.895 12.463 -10.539 404 HG22 VAL 54 HG22 VAL 54 -12.516 12.111 -11.581 405 HG23 VAL 54 HG23 VAL 54 -13.978 11.130 -11.691 406 H THR 55 H THR 55 -14.739 13.167 -8.186 407 HA THR 55 HA THR 55 -17.238 11.637 -8.146 408 HB THR 55 HB THR 55 -18.269 13.652 -7.202 409 HG1 THR 55 HG1 THR 55 -17.085 15.313 -8.070 410 HG21 THR 55 HG21 THR 55 -17.516 13.263 -5.093 411 HG22 THR 55 HG22 THR 55 -15.821 13.423 -5.552 412 HG23 THR 55 HG23 THR 55 -16.689 11.927 -5.892 413 H GLU 56 H GLU 56 -18.546 11.624 -9.846 414 HA GLU 56 HA GLU 56 -18.221 13.732 -11.878 415 HB2 GLU 56 HB2 GLU 56 -19.442 11.037 -12.414 416 HB3 GLU 56 HB3 GLU 56 -18.761 12.181 -13.562 417 HG2 GLU 56 HG2 GLU 56 -16.524 11.740 -12.635 418 HG3 GLU 56 HG3 GLU 56 -17.232 10.540 -11.556 Start of MODEL 12 1 H MET 1 H MET 1 0.874 -0.094 -0.514 2 HA MET 1 HA MET 1 3.119 0.922 -2.130 3 HB2 MET 1 HB2 MET 1 3.212 -1.441 -3.074 4 HB3 MET 1 HB3 MET 1 3.799 -1.228 -1.430 5 HG2 MET 1 HG2 MET 1 1.640 -2.041 -0.579 6 HG3 MET 1 HG3 MET 1 1.110 -2.309 -2.238 7 HE1 MET 1 HE1 MET 1 2.265 -5.388 -3.375 8 HE2 MET 1 HE2 MET 1 0.999 -5.457 -2.149 9 HE3 MET 1 HE3 MET 1 1.073 -4.092 -3.265 10 H GLN 2 H GLN 2 -0.052 -0.663 -2.211 11 HA GLN 2 HA GLN 2 -0.415 0.353 -4.950 12 HB2 GLN 2 HB2 GLN 2 -2.121 -1.379 -5.227 13 HB3 GLN 2 HB3 GLN 2 -0.577 -2.084 -4.767 14 HG2 GLN 2 HG2 GLN 2 -1.515 -3.081 -3.036 15 HG3 GLN 2 HG3 GLN 2 -2.062 -1.528 -2.405 16 HE21 GLN 2 HE21 GLN 2 -4.101 -0.697 -3.251 17 HE22 GLN 2 HE22 GLN 2 -5.344 -1.818 -3.680 18 H TYR 3 H TYR 3 -2.102 1.669 -5.428 19 HA TYR 3 HA TYR 3 -3.771 2.531 -3.162 20 HB2 TYR 3 HB2 TYR 3 -3.045 4.043 -5.680 21 HB3 TYR 3 HB3 TYR 3 -4.033 4.661 -4.361 22 HD1 TYR 3 HD1 TYR 3 -2.554 3.812 -1.990 23 HD2 TYR 3 HD2 TYR 3 -1.108 5.323 -5.695 24 HE1 TYR 3 HE1 TYR 3 -0.533 4.637 -0.858 25 HE2 TYR 3 HE2 TYR 3 0.918 6.152 -4.573 26 HH TYR 3 HH TYR 3 1.265 6.030 -1.082 27 H LYS 4 H LYS 4 -5.978 3.209 -3.670 28 HA LYS 4 HA LYS 4 -7.110 1.760 -5.972 29 HB2 LYS 4 HB2 LYS 4 -8.927 0.979 -4.670 30 HB3 LYS 4 HB3 LYS 4 -7.482 0.644 -3.725 31 HG2 LYS 4 HG2 LYS 4 -8.126 3.079 -2.768 32 HG3 LYS 4 HG3 LYS 4 -9.728 2.459 -3.174 33 HD2 LYS 4 HD2 LYS 4 -9.101 0.368 -1.897 34 HD3 LYS 4 HD3 LYS 4 -7.686 1.251 -1.318 35 HE2 LYS 4 HE2 LYS 4 -9.094 2.915 -0.285 36 HE3 LYS 4 HE3 LYS 4 -10.537 2.170 -0.971 37 HZ1 LYS 4 HZ1 LYS 4 -9.280 1.585 1.455 38 HZ2 LYS 4 HZ2 LYS 4 -9.127 0.222 0.465 39 HZ3 LYS 4 HZ3 LYS 4 -10.659 0.861 0.792 40 H LEU 5 H LEU 5 -8.571 2.837 -7.183 41 HA LEU 5 HA LEU 5 -9.145 5.606 -6.415 42 HB2 LEU 5 HB2 LEU 5 -8.224 4.550 -8.760 43 HB3 LEU 5 HB3 LEU 5 -9.948 4.715 -9.087 44 HG LEU 5 HG LEU 5 -8.656 6.647 -9.873 45 HD11 LEU 5 HD11 LEU 5 -10.327 8.064 -9.387 46 HD12 LEU 5 HD12 LEU 5 -10.137 7.856 -7.646 47 HD13 LEU 5 HD13 LEU 5 -11.039 6.665 -8.583 48 HD21 LEU 5 HD21 LEU 5 -6.907 6.501 -8.096 49 HD22 LEU 5 HD22 LEU 5 -8.073 7.194 -6.968 50 HD23 LEU 5 HD23 LEU 5 -7.538 8.126 -8.367 51 H ILE 6 H ILE 6 -11.155 6.310 -6.000 52 HA ILE 6 HA ILE 6 -13.337 4.350 -6.196 53 HB ILE 6 HB ILE 6 -13.130 6.824 -4.475 54 HG12 ILE 6 HG12 ILE 6 -13.444 4.553 -2.882 55 HG13 ILE 6 HG13 ILE 6 -12.288 4.066 -4.117 56 HG21 ILE 6 HG21 ILE 6 -15.187 5.880 -3.393 57 HG22 ILE 6 HG22 ILE 6 -15.420 6.496 -5.028 58 HG23 ILE 6 HG23 ILE 6 -15.303 4.758 -4.749 59 HD11 ILE 6 HD11 ILE 6 -10.850 5.921 -3.540 60 HD12 ILE 6 HD12 ILE 6 -12.026 6.491 -2.355 61 HD13 ILE 6 HD13 ILE 6 -11.204 4.950 -2.111 62 H LEU 7 H LEU 7 -14.981 4.684 -7.546 63 HA LEU 7 HA LEU 7 -15.093 7.230 -8.990 64 HB2 LEU 7 HB2 LEU 7 -16.653 4.762 -9.672 65 HB3 LEU 7 HB3 LEU 7 -16.204 6.105 -10.721 66 HG LEU 7 HG LEU 7 -14.225 4.133 -9.590 67 HD11 LEU 7 HD11 LEU 7 -15.534 4.153 -12.305 68 HD12 LEU 7 HD12 LEU 7 -15.830 2.978 -11.024 69 HD13 LEU 7 HD13 LEU 7 -14.240 3.075 -11.782 70 HD21 LEU 7 HD21 LEU 7 -13.363 5.288 -11.998 71 HD22 LEU 7 HD22 LEU 7 -12.726 5.568 -10.377 72 HD23 LEU 7 HD23 LEU 7 -13.998 6.609 -11.018 73 H ASN 8 H ASN 8 -16.433 8.686 -8.157 74 HA ASN 8 HA ASN 8 -18.960 7.759 -6.965 75 HB2 ASN 8 HB2 ASN 8 -17.170 9.169 -5.650 76 HB3 ASN 8 HB3 ASN 8 -17.886 10.519 -6.524 77 HD21 ASN 8 HD21 ASN 8 -20.411 10.345 -6.504 78 HD22 ASN 8 HD22 ASN 8 -21.093 10.105 -4.935 79 H GLY 9 H GLY 9 -19.618 7.629 -9.316 80 HA2 GLY 9 HA2 GLY 9 -20.089 10.156 -10.650 81 HA3 GLY 9 HA3 GLY 9 -20.536 8.562 -11.240 82 H LYS 10 H LYS 10 -22.300 10.575 -11.579 83 HA LYS 10 HA LYS 10 -24.185 10.691 -9.403 84 HB2 LYS 10 HB2 LYS 10 -24.664 11.558 -12.252 85 HB3 LYS 10 HB3 LYS 10 -25.473 12.130 -10.799 86 HG2 LYS 10 HG2 LYS 10 -22.560 12.575 -11.412 87 HG3 LYS 10 HG3 LYS 10 -23.846 13.739 -11.740 88 HD2 LYS 10 HD2 LYS 10 -23.393 14.525 -9.689 89 HD3 LYS 10 HD3 LYS 10 -24.291 13.118 -9.115 90 HE2 LYS 10 HE2 LYS 10 -21.741 12.145 -9.587 91 HE3 LYS 10 HE3 LYS 10 -21.465 13.741 -8.892 92 HZ1 LYS 10 HZ1 LYS 10 -22.651 13.169 -6.964 93 HZ2 LYS 10 HZ2 LYS 10 -21.654 11.839 -7.277 94 HZ3 LYS 10 HZ3 LYS 10 -23.300 11.771 -7.661 95 H THR 11 H THR 11 -23.992 9.096 -12.556 96 HA THR 11 HA THR 11 -26.326 7.466 -11.789 97 HB THR 11 HB THR 11 -26.795 8.844 -13.761 98 HG1 THR 11 HG1 THR 11 -27.519 7.133 -15.047 99 HG21 THR 11 HG21 THR 11 -24.784 7.310 -15.352 100 HG22 THR 11 HG22 THR 11 -24.269 8.735 -14.450 101 HG23 THR 11 HG23 THR 11 -25.520 8.877 -15.685 102 H LEU 12 H LEU 12 -23.060 7.386 -12.032 103 HA LEU 12 HA LEU 12 -23.067 4.480 -12.421 104 HB2 LEU 12 HB2 LEU 12 -20.813 6.115 -13.503 105 HB3 LEU 12 HB3 LEU 12 -21.298 4.472 -13.918 106 HG LEU 12 HG LEU 12 -23.453 5.944 -14.754 107 HD11 LEU 12 HD11 LEU 12 -22.722 7.880 -15.880 108 HD12 LEU 12 HD12 LEU 12 -21.024 7.509 -15.582 109 HD13 LEU 12 HD13 LEU 12 -22.066 8.000 -14.247 110 HD21 LEU 12 HD21 LEU 12 -22.892 4.487 -16.353 111 HD22 LEU 12 HD22 LEU 12 -21.177 4.558 -15.947 112 HD23 LEU 12 HD23 LEU 12 -21.887 5.787 -16.994 113 H LYS 13 H LYS 13 -21.648 3.352 -11.146 114 HA LYS 13 HA LYS 13 -19.775 4.856 -9.473 115 HB2 LYS 13 HB2 LYS 13 -21.906 2.988 -8.424 116 HB3 LYS 13 HB3 LYS 13 -20.547 3.566 -7.468 117 HG2 LYS 13 HG2 LYS 13 -22.559 5.382 -8.772 118 HG3 LYS 13 HG3 LYS 13 -22.692 4.793 -7.113 119 HD2 LYS 13 HD2 LYS 13 -20.077 5.805 -7.411 120 HD3 LYS 13 HD3 LYS 13 -21.167 6.991 -8.133 121 HE2 LYS 13 HE2 LYS 13 -21.266 5.871 -5.337 122 HE3 LYS 13 HE3 LYS 13 -20.892 7.527 -5.814 123 HZ1 LYS 13 HZ1 LYS 13 -23.080 7.702 -5.213 124 HZ2 LYS 13 HZ2 LYS 13 -23.487 6.153 -5.758 125 HZ3 LYS 13 HZ3 LYS 13 -23.248 7.406 -6.870 126 H GLY 14 H GLY 14 -18.042 3.627 -8.651 127 HA2 GLY 14 HA2 GLY 14 -17.789 0.839 -8.869 128 HA3 GLY 14 HA3 GLY 14 -17.120 1.565 -10.322 129 H GLU 15 H GLU 15 -15.345 0.192 -9.020 130 HA GLU 15 HA GLU 15 -13.655 2.225 -7.764 131 HB2 GLU 15 HB2 GLU 15 -14.895 0.619 -6.098 132 HB3 GLU 15 HB3 GLU 15 -13.670 -0.535 -6.605 133 HG2 GLU 15 HG2 GLU 15 -12.017 0.523 -5.503 134 HG3 GLU 15 HG3 GLU 15 -12.680 2.124 -5.822 135 H THR 16 H THR 16 -11.376 1.686 -7.785 136 HA THR 16 HA THR 16 -10.598 -0.492 -9.576 137 HB THR 16 HB THR 16 -8.966 1.715 -10.284 138 HG1 THR 16 HG1 THR 16 -11.720 2.292 -10.702 139 HG21 THR 16 HG21 THR 16 -11.122 0.213 -11.769 140 HG22 THR 16 HG22 THR 16 -9.397 -0.151 -11.744 141 HG23 THR 16 HG23 THR 16 -9.977 1.319 -12.527 142 H THR 17 H THR 17 -8.232 -0.844 -9.589 143 HA THR 17 HA THR 17 -6.852 0.213 -7.229 144 HB THR 17 HB THR 17 -6.021 -2.057 -6.658 145 HG1 THR 17 HG1 THR 17 -7.117 -3.845 -7.585 146 HG21 THR 17 HG21 THR 17 -7.739 -2.413 -5.228 147 HG22 THR 17 HG22 THR 17 -8.946 -2.410 -6.514 148 HG23 THR 17 HG23 THR 17 -8.327 -0.885 -5.881 149 H THR 18 H THR 18 -4.603 0.235 -7.372 150 HA THR 18 HA THR 18 -3.361 -0.782 -9.811 151 HB THR 18 HB THR 18 -3.931 1.452 -10.487 152 HG1 THR 18 HG1 THR 18 -1.766 0.685 -10.953 153 HG21 THR 18 HG21 THR 18 -2.605 2.348 -7.925 154 HG22 THR 18 HG22 THR 18 -4.319 2.471 -8.323 155 HG23 THR 18 HG23 THR 18 -3.135 3.424 -9.217 156 H GLU 19 H GLU 19 -1.219 -1.308 -9.587 157 HA GLU 19 HA GLU 19 -0.071 -0.913 -6.902 158 HB2 GLU 19 HB2 GLU 19 1.160 -3.008 -7.249 159 HB3 GLU 19 HB3 GLU 19 -0.577 -3.256 -7.348 160 HG2 GLU 19 HG2 GLU 19 -0.181 -4.338 -9.241 161 HG3 GLU 19 HG3 GLU 19 0.137 -2.760 -9.959 162 H ALA 20 H ALA 20 1.682 0.314 -6.803 163 HA ALA 20 HA ALA 20 3.594 0.312 -9.009 164 HB1 ALA 20 HB1 ALA 20 1.746 2.441 -8.555 165 HB2 ALA 20 HB2 ALA 20 3.383 3.012 -8.232 166 HB3 ALA 20 HB3 ALA 20 2.992 2.296 -9.795 167 H VAL 21 H VAL 21 5.692 0.873 -8.416 168 HA VAL 21 HA VAL 21 6.300 0.509 -5.628 169 HB VAL 21 HB VAL 21 8.629 0.553 -6.290 170 HG11 VAL 21 HG11 VAL 21 6.699 -1.245 -7.267 171 HG12 VAL 21 HG12 VAL 21 7.862 -0.999 -8.570 172 HG13 VAL 21 HG13 VAL 21 8.414 -1.544 -6.986 173 HG21 VAL 21 HG21 VAL 21 8.886 2.249 -7.842 174 HG22 VAL 21 HG22 VAL 21 9.045 0.806 -8.844 175 HG23 VAL 21 HG23 VAL 21 7.525 1.701 -8.822 176 H ASP 22 H ASP 22 5.983 3.181 -7.798 177 HA ASP 22 HA ASP 22 7.017 4.988 -5.711 178 HB2 ASP 22 HB2 ASP 22 8.142 4.826 -8.092 179 HB3 ASP 22 HB3 ASP 22 6.798 5.862 -8.562 180 H ALA 23 H ALA 23 5.877 6.917 -5.311 181 HA ALA 23 HA ALA 23 3.045 6.674 -5.526 182 HB1 ALA 23 HB1 ALA 23 3.073 8.087 -3.815 183 HB2 ALA 23 HB2 ALA 23 4.833 8.114 -3.930 184 HB3 ALA 23 HB3 ALA 23 3.875 9.324 -4.783 185 H ALA 24 H ALA 24 5.492 8.624 -7.152 186 HA ALA 24 HA ALA 24 3.755 10.354 -8.530 187 HB1 ALA 24 HB1 ALA 24 5.787 10.400 -10.184 188 HB2 ALA 24 HB2 ALA 24 5.926 11.096 -8.569 189 HB3 ALA 24 HB3 ALA 24 6.584 9.493 -8.898 190 H THR 25 H THR 25 5.059 7.175 -9.355 191 HA THR 25 HA THR 25 3.901 7.148 -11.980 192 HB THR 25 HB THR 25 5.044 4.884 -10.332 193 HG1 THR 25 HG1 THR 25 6.178 6.379 -12.481 194 HG21 THR 25 HG21 THR 25 3.684 3.844 -11.936 195 HG22 THR 25 HG22 THR 25 5.287 3.854 -12.672 196 HG23 THR 25 HG23 THR 25 4.078 5.036 -13.174 197 H ALA 26 H ALA 26 3.006 5.934 -8.805 198 HA ALA 26 HA ALA 26 0.846 4.308 -9.648 199 HB1 ALA 26 HB1 ALA 26 2.078 4.361 -7.380 200 HB2 ALA 26 HB2 ALA 26 0.931 5.636 -6.966 201 HB3 ALA 26 HB3 ALA 26 0.345 4.030 -7.399 202 H GLU 27 H GLU 27 1.084 7.697 -8.680 203 HA GLU 27 HA GLU 27 -1.699 8.213 -8.639 204 HB2 GLU 27 HB2 GLU 27 -0.180 9.702 -7.501 205 HB3 GLU 27 HB3 GLU 27 0.665 10.057 -9.002 206 HG2 GLU 27 HG2 GLU 27 -1.970 10.719 -9.536 207 HG3 GLU 27 HG3 GLU 27 -1.708 11.265 -7.881 208 H LYS 28 H LYS 28 0.756 8.390 -11.154 209 HA LYS 28 HA LYS 28 -0.828 9.707 -13.093 210 HB2 LYS 28 HB2 LYS 28 1.585 7.910 -13.353 211 HB3 LYS 28 HB3 LYS 28 0.851 8.747 -14.714 212 HG2 LYS 28 HG2 LYS 28 1.313 10.640 -12.645 213 HG3 LYS 28 HG3 LYS 28 2.789 9.705 -12.895 214 HD2 LYS 28 HD2 LYS 28 2.846 10.268 -15.210 215 HD3 LYS 28 HD3 LYS 28 1.227 10.969 -15.140 216 HE2 LYS 28 HE2 LYS 28 1.998 12.783 -13.790 217 HE3 LYS 28 HE3 LYS 28 3.577 12.028 -13.580 218 HZ1 LYS 28 HZ1 LYS 28 2.702 13.743 -15.640 219 HZ2 LYS 28 HZ2 LYS 28 3.153 12.258 -16.311 220 HZ3 LYS 28 HZ3 LYS 28 4.252 13.125 -15.363 221 H VAL 29 H VAL 29 -0.484 6.359 -12.147 222 HA VAL 29 HA VAL 29 -1.576 5.073 -14.356 223 HB VAL 29 HB VAL 29 -1.900 4.326 -11.446 224 HG11 VAL 29 HG11 VAL 29 -2.802 3.076 -13.930 225 HG12 VAL 29 HG12 VAL 29 -1.874 2.000 -12.884 226 HG13 VAL 29 HG13 VAL 29 -3.320 2.800 -12.267 227 HG21 VAL 29 HG21 VAL 29 0.413 4.485 -12.996 228 HG22 VAL 29 HG22 VAL 29 0.221 3.651 -11.453 229 HG23 VAL 29 HG23 VAL 29 -0.003 2.771 -12.965 230 H PHE 30 H PHE 30 -3.263 6.225 -11.434 231 HA PHE 30 HA PHE 30 -5.852 5.637 -12.492 232 HB2 PHE 30 HB2 PHE 30 -6.705 6.416 -10.466 233 HB3 PHE 30 HB3 PHE 30 -5.106 5.834 -10.012 234 HD1 PHE 30 HD1 PHE 30 -6.936 8.918 -10.983 235 HD2 PHE 30 HD2 PHE 30 -3.628 7.232 -8.902 236 HE1 PHE 30 HE1 PHE 30 -6.405 11.129 -10.043 237 HE2 PHE 30 HE2 PHE 30 -3.092 9.440 -7.958 238 HZ PHE 30 HZ PHE 30 -4.482 11.392 -8.527 239 H LYS 31 H LYS 31 -3.743 8.409 -12.488 240 HA LYS 31 HA LYS 31 -5.656 10.381 -13.148 241 HB2 LYS 31 HB2 LYS 31 -2.796 10.209 -12.865 242 HB3 LYS 31 HB3 LYS 31 -3.196 11.109 -14.322 243 HG2 LYS 31 HG2 LYS 31 -4.277 11.712 -11.577 244 HG3 LYS 31 HG3 LYS 31 -2.919 12.542 -12.338 245 HD2 LYS 31 HD2 LYS 31 -5.520 12.376 -13.790 246 HD3 LYS 31 HD3 LYS 31 -5.344 13.537 -12.471 247 HE2 LYS 31 HE2 LYS 31 -3.055 13.609 -14.224 248 HE3 LYS 31 HE3 LYS 31 -4.547 13.854 -15.131 249 HZ1 LYS 31 HZ1 LYS 31 -5.121 15.556 -13.386 250 HZ2 LYS 31 HZ2 LYS 31 -3.857 15.969 -14.430 251 HZ3 LYS 31 HZ3 LYS 31 -3.518 15.446 -12.858 252 H GLN 32 H GLN 32 -3.464 8.443 -15.169 253 HA GLN 32 HA GLN 32 -4.472 9.519 -17.619 254 HB2 GLN 32 HB2 GLN 32 -2.225 8.708 -17.611 255 HB3 GLN 32 HB3 GLN 32 -2.727 7.140 -16.992 256 HG2 GLN 32 HG2 GLN 32 -4.099 7.673 -19.439 257 HG3 GLN 32 HG3 GLN 32 -2.369 7.920 -19.666 258 HE21 GLN 32 HE21 GLN 32 -4.098 5.663 -17.566 259 HE22 GLN 32 HE22 GLN 32 -3.433 4.229 -18.263 260 H TYR 33 H TYR 33 -4.903 6.444 -15.897 261 HA TYR 33 HA TYR 33 -6.549 5.167 -17.739 262 HB2 TYR 33 HB2 TYR 33 -5.646 3.931 -15.891 263 HB3 TYR 33 HB3 TYR 33 -6.457 4.971 -14.725 264 HD1 TYR 33 HD1 TYR 33 -8.729 4.593 -14.107 265 HD2 TYR 33 HD2 TYR 33 -6.969 2.327 -17.248 266 HE1 TYR 33 HE1 TYR 33 -10.651 3.058 -14.068 267 HE2 TYR 33 HE2 TYR 33 -8.886 0.786 -17.219 268 HH TYR 33 HH TYR 33 -11.648 1.305 -16.198 269 H ALA 34 H ALA 34 -7.394 7.368 -15.096 270 HA ALA 34 HA ALA 34 -10.210 7.189 -15.527 271 HB1 ALA 34 HB1 ALA 34 -10.434 8.816 -13.853 272 HB2 ALA 34 HB2 ALA 34 -9.009 7.887 -13.388 273 HB3 ALA 34 HB3 ALA 34 -8.822 9.467 -14.148 274 H ASN 35 H ASN 35 -7.729 9.579 -16.398 275 HA ASN 35 HA ASN 35 -9.407 11.452 -17.611 276 HB2 ASN 35 HB2 ASN 35 -7.213 12.175 -17.206 277 HB3 ASN 35 HB3 ASN 35 -6.505 10.756 -17.971 278 HD21 ASN 35 HD21 ASN 35 -5.758 10.998 -19.948 279 HD22 ASN 35 HD22 ASN 35 -6.176 12.268 -21.042 280 H ASP 36 H ASP 36 -7.720 8.658 -19.000 281 HA ASP 36 HA ASP 36 -8.443 9.052 -21.670 282 HB2 ASP 36 HB2 ASP 36 -6.786 7.357 -20.649 283 HB3 ASP 36 HB3 ASP 36 -8.193 6.318 -20.438 284 H ASN 37 H ASN 37 -10.266 7.860 -18.972 285 HA ASN 37 HA ASN 37 -12.335 6.641 -20.552 286 HB2 ASN 37 HB2 ASN 37 -11.568 6.395 -17.945 287 HB3 ASN 37 HB3 ASN 37 -12.988 7.424 -17.787 288 HD21 ASN 37 HD21 ASN 37 -12.040 4.357 -17.634 289 HD22 ASN 37 HD22 ASN 37 -13.479 3.549 -18.147 290 H GLY 38 H GLY 38 -11.499 9.801 -19.929 291 HA2 GLY 38 HA2 GLY 38 -12.580 11.739 -20.598 292 HA3 GLY 38 HA3 GLY 38 -13.993 10.773 -20.998 293 H VAL 39 H VAL 39 -12.598 10.463 -17.849 294 HA VAL 39 HA VAL 39 -15.006 11.156 -16.546 295 HB VAL 39 HB VAL 39 -13.354 9.625 -15.556 296 HG11 VAL 39 HG11 VAL 39 -11.485 11.458 -16.270 297 HG12 VAL 39 HG12 VAL 39 -11.633 11.776 -14.540 298 HG13 VAL 39 HG13 VAL 39 -11.217 10.158 -15.109 299 HG21 VAL 39 HG21 VAL 39 -13.455 10.500 -13.259 300 HG22 VAL 39 HG22 VAL 39 -13.930 12.076 -13.892 301 HG23 VAL 39 HG23 VAL 39 -14.990 10.683 -14.108 302 H ASP 40 H ASP 40 -15.783 13.053 -15.886 303 HA ASP 40 HA ASP 40 -13.946 15.350 -15.741 304 HB2 ASP 40 HB2 ASP 40 -15.458 15.306 -17.799 305 HB3 ASP 40 HB3 ASP 40 -16.801 15.564 -16.690 306 H GLY 41 H GLY 41 -14.274 16.798 -14.085 307 HA2 GLY 41 HA2 GLY 41 -16.291 17.467 -12.523 308 HA3 GLY 41 HA3 GLY 41 -16.007 15.835 -11.935 309 H GLU 42 H GLU 42 -15.074 16.011 -10.003 310 HA GLU 42 HA GLU 42 -12.700 17.737 -9.784 311 HB2 GLU 42 HB2 GLU 42 -14.958 18.411 -8.552 312 HB3 GLU 42 HB3 GLU 42 -14.376 17.249 -7.368 313 HG2 GLU 42 HG2 GLU 42 -13.565 19.278 -6.598 314 HG3 GLU 42 HG3 GLU 42 -12.184 18.568 -7.433 315 H TRP 43 H TRP 43 -11.020 16.978 -8.480 316 HA TRP 43 HA TRP 43 -11.178 14.103 -7.870 317 HB2 TRP 43 HB2 TRP 43 -8.912 15.874 -8.742 318 HB3 TRP 43 HB3 TRP 43 -8.592 14.355 -7.911 319 HD1 TRP 43 HD1 TRP 43 -9.852 15.745 -11.232 320 HE1 TRP 43 HE1 TRP 43 -9.920 13.837 -12.958 321 HE3 TRP 43 HE3 TRP 43 -8.875 11.806 -8.124 322 HZ2 TRP 43 HZ2 TRP 43 -9.602 11.032 -12.996 323 HZ3 TRP 43 HZ3 TRP 43 -8.775 9.542 -9.084 324 HH2 TRP 43 HH2 TRP 43 -9.132 9.166 -11.470 325 H THR 44 H THR 44 -10.713 13.358 -5.864 326 HA THR 44 HA THR 44 -10.063 15.378 -3.818 327 HB THR 44 HB THR 44 -11.293 12.826 -2.956 328 HG1 THR 44 HG1 THR 44 -12.824 14.854 -4.251 329 HG21 THR 44 HG21 THR 44 -10.792 14.537 -1.328 330 HG22 THR 44 HG22 THR 44 -12.543 14.390 -1.483 331 HG23 THR 44 HG23 THR 44 -11.699 15.733 -2.253 332 H TYR 45 H TYR 45 -8.630 14.820 -2.150 333 HA TYR 45 HA TYR 45 -7.111 12.332 -2.522 334 HB2 TYR 45 HB2 TYR 45 -5.016 13.607 -2.060 335 HB3 TYR 45 HB3 TYR 45 -5.786 14.046 -3.581 336 HD1 TYR 45 HD1 TYR 45 -7.176 16.168 -3.657 337 HD2 TYR 45 HD2 TYR 45 -4.582 15.232 -0.417 338 HE1 TYR 45 HE1 TYR 45 -7.181 18.532 -2.978 339 HE2 TYR 45 HE2 TYR 45 -4.581 17.593 0.272 340 HH TYR 45 HH TYR 45 -5.088 19.955 -1.258 341 H ASP 46 H ASP 46 -7.333 11.201 -0.718 342 HA ASP 46 HA ASP 46 -7.586 12.616 1.841 343 HB2 ASP 46 HB2 ASP 46 -8.154 9.711 1.217 344 HB3 ASP 46 HB3 ASP 46 -8.518 10.549 2.723 345 H ASP 47 H ASP 47 -5.547 13.022 2.529 346 HA ASP 47 HA ASP 47 -3.344 11.292 2.190 347 HB2 ASP 47 HB2 ASP 47 -2.148 12.769 3.645 348 HB3 ASP 47 HB3 ASP 47 -3.232 13.760 2.673 349 H ALA 48 H ALA 48 -6.001 11.128 4.273 350 HA ALA 48 HA ALA 48 -4.763 9.877 6.514 351 HB1 ALA 48 HB1 ALA 48 -6.929 11.011 6.677 352 HB2 ALA 48 HB2 ALA 48 -7.646 9.784 5.631 353 HB3 ALA 48 HB3 ALA 48 -7.027 9.336 7.220 354 H THR 49 H THR 49 -6.524 8.652 3.684 355 HA THR 49 HA THR 49 -5.579 5.944 4.356 356 HB THR 49 HB THR 49 -7.399 5.164 2.790 357 HG1 THR 49 HG1 THR 49 -8.571 7.707 3.157 358 HG21 THR 49 HG21 THR 49 -8.177 6.707 5.266 359 HG22 THR 49 HG22 THR 49 -7.727 5.005 5.173 360 HG23 THR 49 HG23 THR 49 -9.227 5.562 4.433 361 H LYS 50 H LYS 50 -4.607 8.411 2.585 362 HA LYS 50 HA LYS 50 -3.472 8.723 0.630 363 HB2 LYS 50 HB2 LYS 50 -2.712 5.817 0.856 364 HB3 LYS 50 HB3 LYS 50 -1.764 7.141 0.193 365 HG2 LYS 50 HG2 LYS 50 -2.507 6.842 3.095 366 HG3 LYS 50 HG3 LYS 50 -0.958 6.376 2.389 367 HD2 LYS 50 HD2 LYS 50 -0.654 8.730 1.649 368 HD3 LYS 50 HD3 LYS 50 -2.135 9.151 2.512 369 HE2 LYS 50 HE2 LYS 50 -1.169 8.568 4.609 370 HE3 LYS 50 HE3 LYS 50 0.233 7.838 3.829 371 HZ1 LYS 50 HZ1 LYS 50 -0.018 10.514 2.990 372 HZ2 LYS 50 HZ2 LYS 50 1.247 9.790 3.849 373 HZ3 LYS 50 HZ3 LYS 50 -0.062 10.467 4.681 374 H THR 51 H THR 51 -6.172 8.123 0.224 375 HA THR 51 HA THR 51 -6.041 6.642 -2.320 376 HB THR 51 HB THR 51 -7.290 5.396 -0.531 377 HG1 THR 51 HG1 THR 51 -8.620 6.266 -2.889 378 HG21 THR 51 HG21 THR 51 -9.207 6.194 0.448 379 HG22 THR 51 HG22 THR 51 -9.562 7.290 -0.887 380 HG23 THR 51 HG23 THR 51 -8.302 7.698 0.277 381 H PHE 52 H PHE 52 -7.014 7.562 -4.064 382 HA PHE 52 HA PHE 52 -8.159 10.240 -3.653 383 HB2 PHE 52 HB2 PHE 52 -7.037 9.148 -6.234 384 HB3 PHE 52 HB3 PHE 52 -7.405 10.825 -5.843 385 HD1 PHE 52 HD1 PHE 52 -5.076 8.045 -5.261 386 HD2 PHE 52 HD2 PHE 52 -5.873 12.176 -4.611 387 HE1 PHE 52 HE1 PHE 52 -2.756 8.371 -4.509 388 HE2 PHE 52 HE2 PHE 52 -3.554 12.508 -3.858 389 HZ PHE 52 HZ PHE 52 -1.992 10.605 -3.807 390 H THR 53 H THR 53 -9.908 10.899 -5.072 391 HA THR 53 HA THR 53 -11.422 8.758 -6.349 392 HB THR 53 HB THR 53 -12.273 8.760 -4.053 393 HG1 THR 53 HG1 THR 53 -14.222 10.044 -5.664 394 HG21 THR 53 HG21 THR 53 -13.606 10.839 -3.364 395 HG22 THR 53 HG22 THR 53 -12.665 11.692 -4.588 396 HG23 THR 53 HG23 THR 53 -11.849 10.918 -3.229 397 H VAL 54 H VAL 54 -13.094 9.521 -7.761 398 HA VAL 54 HA VAL 54 -12.900 12.383 -8.430 399 HB VAL 54 HB VAL 54 -11.607 11.198 -10.088 400 HG11 VAL 54 HG11 VAL 54 -12.416 9.382 -11.383 401 HG12 VAL 54 HG12 VAL 54 -12.762 8.993 -9.697 402 HG13 VAL 54 HG13 VAL 54 -14.052 9.572 -10.752 403 HG21 VAL 54 HG21 VAL 54 -13.302 13.050 -10.703 404 HG22 VAL 54 HG22 VAL 54 -12.568 12.106 -12.000 405 HG23 VAL 54 HG23 VAL 54 -14.210 11.745 -11.466 406 H THR 55 H THR 55 -14.806 13.347 -8.300 407 HA THR 55 HA THR 55 -17.243 11.725 -8.472 408 HB THR 55 HB THR 55 -16.847 14.530 -7.414 409 HG1 THR 55 HG1 THR 55 -16.163 13.332 -5.782 410 HG21 THR 55 HG21 THR 55 -19.296 12.779 -7.577 411 HG22 THR 55 HG22 THR 55 -19.069 14.386 -8.268 412 HG23 THR 55 HG23 THR 55 -19.175 14.184 -6.519 413 H GLU 56 H GLU 56 -18.861 12.139 -9.923 414 HA GLU 56 HA GLU 56 -18.342 14.244 -11.918 415 HB2 GLU 56 HB2 GLU 56 -19.703 11.649 -12.592 416 HB3 GLU 56 HB3 GLU 56 -18.987 12.826 -13.683 417 HG2 GLU 56 HG2 GLU 56 -16.757 12.232 -12.753 418 HG3 GLU 56 HG3 GLU 56 -17.540 10.947 -11.835 Start of MODEL 13 1 H MET 1 H MET 1 3.667 1.886 -1.917 2 HA MET 1 HA MET 1 3.027 -0.718 -2.791 3 HB2 MET 1 HB2 MET 1 2.727 0.672 -0.453 4 HB3 MET 1 HB3 MET 1 1.066 0.567 -1.019 5 HG2 MET 1 HG2 MET 1 1.165 -1.353 0.177 6 HG3 MET 1 HG3 MET 1 1.723 -1.962 -1.380 7 HE1 MET 1 HE1 MET 1 3.684 -3.430 -1.564 8 HE2 MET 1 HE2 MET 1 4.471 -1.901 -1.955 9 HE3 MET 1 HE3 MET 1 5.254 -3.042 -0.860 10 H GLN 2 H GLN 2 0.340 -1.060 -2.569 11 HA GLN 2 HA GLN 2 -0.585 0.042 -5.091 12 HB2 GLN 2 HB2 GLN 2 -2.262 -1.633 -5.058 13 HB3 GLN 2 HB3 GLN 2 -0.797 -2.402 -4.462 14 HG2 GLN 2 HG2 GLN 2 -1.965 -3.097 -2.720 15 HG3 GLN 2 HG3 GLN 2 -2.056 -1.419 -2.187 16 HE21 GLN 2 HE21 GLN 2 -3.928 -0.237 -2.576 17 HE22 GLN 2 HE22 GLN 2 -5.421 -0.993 -3.000 18 H TYR 3 H TYR 3 -2.500 1.205 -5.366 19 HA TYR 3 HA TYR 3 -3.594 2.400 -2.904 20 HB2 TYR 3 HB2 TYR 3 -3.079 3.693 -5.586 21 HB3 TYR 3 HB3 TYR 3 -4.025 4.445 -4.306 22 HD1 TYR 3 HD1 TYR 3 -1.158 4.994 -5.771 23 HD2 TYR 3 HD2 TYR 3 -2.460 3.761 -1.913 24 HE1 TYR 3 HE1 TYR 3 0.905 5.906 -4.790 25 HE2 TYR 3 HE2 TYR 3 -0.401 4.670 -0.921 26 HH TYR 3 HH TYR 3 1.359 6.120 -1.337 27 H LYS 4 H LYS 4 -5.819 3.189 -3.085 28 HA LYS 4 HA LYS 4 -7.396 1.552 -4.962 29 HB2 LYS 4 HB2 LYS 4 -7.769 0.757 -2.734 30 HB3 LYS 4 HB3 LYS 4 -7.992 2.392 -2.124 31 HG2 LYS 4 HG2 LYS 4 -10.080 2.610 -3.251 32 HG3 LYS 4 HG3 LYS 4 -9.827 1.097 -4.125 33 HD2 LYS 4 HD2 LYS 4 -9.828 1.087 -1.138 34 HD3 LYS 4 HD3 LYS 4 -11.364 1.164 -2.006 35 HE2 LYS 4 HE2 LYS 4 -11.038 -0.917 -3.007 36 HE3 LYS 4 HE3 LYS 4 -9.302 -0.897 -2.700 37 HZ1 LYS 4 HZ1 LYS 4 -9.604 -1.877 -0.748 38 HZ2 LYS 4 HZ2 LYS 4 -11.220 -2.131 -1.177 39 HZ3 LYS 4 HZ3 LYS 4 -10.789 -0.765 -0.277 40 H LEU 5 H LEU 5 -8.901 2.532 -6.200 41 HA LEU 5 HA LEU 5 -9.290 5.426 -5.802 42 HB2 LEU 5 HB2 LEU 5 -8.129 4.304 -7.938 43 HB3 LEU 5 HB3 LEU 5 -9.813 4.215 -8.451 44 HG LEU 5 HG LEU 5 -9.792 6.772 -7.800 45 HD11 LEU 5 HD11 LEU 5 -7.598 6.940 -6.914 46 HD12 LEU 5 HD12 LEU 5 -7.579 7.745 -8.483 47 HD13 LEU 5 HD13 LEU 5 -6.898 6.127 -8.314 48 HD21 LEU 5 HD21 LEU 5 -8.968 5.355 -10.277 49 HD22 LEU 5 HD22 LEU 5 -8.781 7.108 -10.223 50 HD23 LEU 5 HD23 LEU 5 -10.369 6.383 -9.970 51 H ILE 6 H ILE 6 -11.313 6.186 -5.610 52 HA ILE 6 HA ILE 6 -13.521 4.270 -5.986 53 HB ILE 6 HB ILE 6 -13.369 6.613 -4.086 54 HG12 ILE 6 HG12 ILE 6 -13.785 4.474 -2.516 55 HG13 ILE 6 HG13 ILE 6 -12.899 3.691 -3.820 56 HG21 ILE 6 HG21 ILE 6 -15.622 6.368 -4.871 57 HG22 ILE 6 HG22 ILE 6 -15.572 4.626 -4.609 58 HG23 ILE 6 HG23 ILE 6 -15.530 5.725 -3.231 59 HD11 ILE 6 HD11 ILE 6 -11.060 4.311 -2.749 60 HD12 ILE 6 HD12 ILE 6 -11.413 5.951 -3.293 61 HD13 ILE 6 HD13 ILE 6 -11.949 5.415 -1.700 62 H LEU 7 H LEU 7 -15.006 4.740 -7.467 63 HA LEU 7 HA LEU 7 -14.951 7.389 -8.711 64 HB2 LEU 7 HB2 LEU 7 -16.505 5.021 -9.697 65 HB3 LEU 7 HB3 LEU 7 -15.944 6.425 -10.604 66 HG LEU 7 HG LEU 7 -14.085 4.349 -9.460 67 HD11 LEU 7 HD11 LEU 7 -15.616 3.293 -11.050 68 HD12 LEU 7 HD12 LEU 7 -13.976 3.389 -11.691 69 HD13 LEU 7 HD13 LEU 7 -15.209 4.518 -12.253 70 HD21 LEU 7 HD21 LEU 7 -13.489 6.078 -11.805 71 HD22 LEU 7 HD22 LEU 7 -12.403 5.412 -10.585 72 HD23 LEU 7 HD23 LEU 7 -13.427 6.795 -10.195 73 H ASN 8 H ASN 8 -16.406 8.842 -8.117 74 HA ASN 8 HA ASN 8 -18.992 7.900 -7.066 75 HB2 ASN 8 HB2 ASN 8 -17.286 9.309 -5.629 76 HB3 ASN 8 HB3 ASN 8 -17.973 10.661 -6.526 77 HD21 ASN 8 HD21 ASN 8 -20.503 10.404 -6.667 78 HD22 ASN 8 HD22 ASN 8 -21.265 10.151 -5.137 79 H GLY 9 H GLY 9 -19.442 7.798 -9.483 80 HA2 GLY 9 HA2 GLY 9 -19.809 10.311 -10.845 81 HA3 GLY 9 HA3 GLY 9 -20.283 8.724 -11.433 82 H LYS 10 H LYS 10 -21.934 10.850 -11.852 83 HA LYS 10 HA LYS 10 -23.928 11.034 -9.788 84 HB2 LYS 10 HB2 LYS 10 -24.256 11.899 -12.656 85 HB3 LYS 10 HB3 LYS 10 -25.070 12.532 -11.232 86 HG2 LYS 10 HG2 LYS 10 -22.126 12.818 -11.790 87 HG3 LYS 10 HG3 LYS 10 -23.345 14.047 -12.132 88 HD2 LYS 10 HD2 LYS 10 -22.697 14.776 -10.077 89 HD3 LYS 10 HD3 LYS 10 -23.920 13.611 -9.566 90 HE2 LYS 10 HE2 LYS 10 -22.395 12.208 -8.683 91 HE3 LYS 10 HE3 LYS 10 -21.233 12.494 -9.978 92 HZ1 LYS 10 HZ1 LYS 10 -20.319 14.266 -8.894 93 HZ2 LYS 10 HZ2 LYS 10 -20.768 13.323 -7.564 94 HZ3 LYS 10 HZ3 LYS 10 -21.728 14.634 -8.034 95 H THR 11 H THR 11 -23.636 9.416 -12.920 96 HA THR 11 HA THR 11 -26.068 7.881 -12.269 97 HB THR 11 HB THR 11 -26.385 9.263 -14.267 98 HG1 THR 11 HG1 THR 11 -26.073 6.573 -15.120 99 HG21 THR 11 HG21 THR 11 -23.846 9.099 -14.831 100 HG22 THR 11 HG22 THR 11 -25.021 9.212 -16.142 101 HG23 THR 11 HG23 THR 11 -24.321 7.650 -15.716 102 H LEU 12 H LEU 12 -22.806 7.669 -12.320 103 HA LEU 12 HA LEU 12 -22.905 4.765 -12.711 104 HB2 LEU 12 HB2 LEU 12 -20.536 6.321 -13.663 105 HB3 LEU 12 HB3 LEU 12 -21.037 4.686 -14.089 106 HG LEU 12 HG LEU 12 -23.099 6.203 -15.068 107 HD11 LEU 12 HD11 LEU 12 -21.684 8.226 -14.504 108 HD12 LEU 12 HD12 LEU 12 -22.252 8.105 -16.169 109 HD13 LEU 12 HD13 LEU 12 -20.584 7.689 -15.775 110 HD21 LEU 12 HD21 LEU 12 -20.660 5.609 -16.706 111 HD22 LEU 12 HD22 LEU 12 -22.361 5.503 -17.162 112 HD23 LEU 12 HD23 LEU 12 -21.666 4.311 -16.063 113 H LYS 13 H LYS 13 -21.610 3.585 -11.353 114 HA LYS 13 HA LYS 13 -19.778 5.013 -9.575 115 HB2 LYS 13 HB2 LYS 13 -22.071 3.275 -8.654 116 HB3 LYS 13 HB3 LYS 13 -20.735 3.755 -7.617 117 HG2 LYS 13 HG2 LYS 13 -22.584 5.681 -9.006 118 HG3 LYS 13 HG3 LYS 13 -22.771 5.135 -7.338 119 HD2 LYS 13 HD2 LYS 13 -20.084 6.063 -7.814 120 HD3 LYS 13 HD3 LYS 13 -21.260 7.303 -8.257 121 HE2 LYS 13 HE2 LYS 13 -21.075 5.867 -5.611 122 HE3 LYS 13 HE3 LYS 13 -20.611 7.537 -5.928 123 HZ1 LYS 13 HZ1 LYS 13 -23.167 7.449 -6.797 124 HZ2 LYS 13 HZ2 LYS 13 -22.677 8.011 -5.279 125 HZ3 LYS 13 HZ3 LYS 13 -23.218 6.418 -5.456 126 H GLY 14 H GLY 14 -18.162 3.707 -8.636 127 HA2 GLY 14 HA2 GLY 14 -18.030 0.909 -8.831 128 HA3 GLY 14 HA3 GLY 14 -17.236 1.595 -10.240 129 H GLU 15 H GLU 15 -15.616 0.145 -8.824 130 HA GLU 15 HA GLU 15 -13.850 2.092 -7.571 131 HB2 GLU 15 HB2 GLU 15 -15.320 0.926 -5.806 132 HB3 GLU 15 HB3 GLU 15 -14.372 -0.512 -6.157 133 HG2 GLU 15 HG2 GLU 15 -12.392 0.466 -5.366 134 HG3 GLU 15 HG3 GLU 15 -13.092 2.084 -5.376 135 H THR 16 H THR 16 -11.701 1.637 -7.826 136 HA THR 16 HA THR 16 -10.937 -0.965 -8.926 137 HB THR 16 HB THR 16 -9.475 1.101 -10.303 138 HG1 THR 16 HG1 THR 16 -12.253 1.077 -10.897 139 HG21 THR 16 HG21 THR 16 -10.147 -0.161 -12.265 140 HG22 THR 16 HG22 THR 16 -11.380 -1.006 -11.330 141 HG23 THR 16 HG23 THR 16 -9.672 -1.268 -10.978 142 H THR 17 H THR 17 -8.565 -1.266 -8.969 143 HA THR 17 HA THR 17 -7.091 0.475 -7.134 144 HB THR 17 HB THR 17 -6.183 -1.500 -5.924 145 HG1 THR 17 HG1 THR 17 -8.347 -3.026 -6.877 146 HG21 THR 17 HG21 THR 17 -8.498 -0.144 -5.454 147 HG22 THR 17 HG22 THR 17 -7.787 -1.322 -4.350 148 HG23 THR 17 HG23 THR 17 -9.067 -1.813 -5.459 149 H THR 18 H THR 18 -4.818 0.347 -7.327 150 HA THR 18 HA THR 18 -3.734 -1.326 -9.461 151 HB THR 18 HB THR 18 -4.372 0.780 -10.573 152 HG1 THR 18 HG1 THR 18 -2.466 -0.361 -11.241 153 HG21 THR 18 HG21 THR 18 -2.263 2.342 -9.236 154 HG22 THR 18 HG22 THR 18 -3.698 2.023 -8.261 155 HG23 THR 18 HG23 THR 18 -3.852 2.843 -9.815 156 H GLU 19 H GLU 19 -1.554 -1.780 -9.259 157 HA GLU 19 HA GLU 19 -0.352 -0.948 -6.710 158 HB2 GLU 19 HB2 GLU 19 1.059 -2.948 -6.914 159 HB3 GLU 19 HB3 GLU 19 -0.651 -3.355 -6.955 160 HG2 GLU 19 HG2 GLU 19 0.085 -2.968 -9.620 161 HG3 GLU 19 HG3 GLU 19 1.402 -3.885 -8.890 162 H ALA 20 H ALA 20 1.517 0.157 -6.649 163 HA ALA 20 HA ALA 20 3.172 0.335 -9.052 164 HB1 ALA 20 HB1 ALA 20 2.459 2.367 -9.586 165 HB2 ALA 20 HB2 ALA 20 1.420 2.425 -8.161 166 HB3 ALA 20 HB3 ALA 20 3.099 2.955 -8.051 167 H VAL 21 H VAL 21 5.329 0.884 -8.662 168 HA VAL 21 HA VAL 21 6.260 0.259 -6.011 169 HB VAL 21 HB VAL 21 7.453 -0.569 -7.997 170 HG11 VAL 21 HG11 VAL 21 8.249 0.729 -9.654 171 HG12 VAL 21 HG12 VAL 21 7.063 1.891 -9.056 172 HG13 VAL 21 HG13 VAL 21 8.749 2.011 -8.552 173 HG21 VAL 21 HG21 VAL 21 9.500 1.198 -6.854 174 HG22 VAL 21 HG22 VAL 21 8.531 0.323 -5.669 175 HG23 VAL 21 HG23 VAL 21 9.421 -0.563 -6.907 176 H ASP 22 H ASP 22 5.686 3.117 -7.864 177 HA ASP 22 HA ASP 22 6.863 4.728 -5.696 178 HB2 ASP 22 HB2 ASP 22 6.821 5.351 -8.656 179 HB3 ASP 22 HB3 ASP 22 7.326 6.484 -7.406 180 H ALA 23 H ALA 23 5.766 6.639 -5.128 181 HA ALA 23 HA ALA 23 2.928 6.473 -5.342 182 HB1 ALA 23 HB1 ALA 23 3.137 8.801 -4.190 183 HB2 ALA 23 HB2 ALA 23 3.595 7.340 -3.313 184 HB3 ALA 23 HB3 ALA 23 4.838 8.361 -4.037 185 H ALA 24 H ALA 24 5.407 8.513 -6.805 186 HA ALA 24 HA ALA 24 3.714 10.396 -8.016 187 HB1 ALA 24 HB1 ALA 24 6.151 10.672 -7.782 188 HB2 ALA 24 HB2 ALA 24 6.392 9.430 -9.011 189 HB3 ALA 24 HB3 ALA 24 5.595 10.946 -9.433 190 H THR 25 H THR 25 4.914 7.265 -9.141 191 HA THR 25 HA THR 25 3.696 7.499 -11.729 192 HB THR 25 HB THR 25 4.821 5.070 -10.321 193 HG1 THR 25 HG1 THR 25 6.648 5.980 -10.859 194 HG21 THR 25 HG21 THR 25 3.931 5.499 -13.171 195 HG22 THR 25 HG22 THR 25 3.315 4.316 -12.017 196 HG23 THR 25 HG23 THR 25 4.950 4.155 -12.657 197 H ALA 26 H ALA 26 2.844 6.033 -8.651 198 HA ALA 26 HA ALA 26 0.667 4.483 -9.527 199 HB1 ALA 26 HB1 ALA 26 1.872 4.455 -7.262 200 HB2 ALA 26 HB2 ALA 26 0.776 5.765 -6.819 201 HB3 ALA 26 HB3 ALA 26 0.128 4.189 -7.277 202 H GLU 27 H GLU 27 0.889 7.846 -8.462 203 HA GLU 27 HA GLU 27 -1.896 8.355 -8.453 204 HB2 GLU 27 HB2 GLU 27 -0.393 9.809 -7.245 205 HB3 GLU 27 HB3 GLU 27 0.466 10.219 -8.723 206 HG2 GLU 27 HG2 GLU 27 -2.172 10.882 -9.257 207 HG3 GLU 27 HG3 GLU 27 -1.919 11.383 -7.586 208 H LYS 28 H LYS 28 0.608 8.654 -10.913 209 HA LYS 28 HA LYS 28 -0.966 10.007 -12.837 210 HB2 LYS 28 HB2 LYS 28 1.433 8.208 -13.232 211 HB3 LYS 28 HB3 LYS 28 0.763 9.289 -14.446 212 HG2 LYS 28 HG2 LYS 28 1.302 10.744 -12.035 213 HG3 LYS 28 HG3 LYS 28 2.739 9.855 -12.547 214 HD2 LYS 28 HD2 LYS 28 2.815 10.941 -14.617 215 HD3 LYS 28 HD3 LYS 28 1.140 11.482 -14.496 216 HE2 LYS 28 HE2 LYS 28 1.669 13.267 -13.199 217 HE3 LYS 28 HE3 LYS 28 2.990 12.424 -12.391 218 HZ1 LYS 28 HZ1 LYS 28 3.816 14.207 -13.785 219 HZ2 LYS 28 HZ2 LYS 28 3.069 13.535 -15.145 220 HZ3 LYS 28 HZ3 LYS 28 4.336 12.712 -14.383 221 H VAL 29 H VAL 29 -0.577 6.637 -11.995 222 HA VAL 29 HA VAL 29 -1.596 5.409 -14.274 223 HB VAL 29 HB VAL 29 -1.939 4.555 -11.396 224 HG11 VAL 29 HG11 VAL 29 -2.534 3.209 -13.996 225 HG12 VAL 29 HG12 VAL 29 -2.021 2.249 -12.607 226 HG13 VAL 29 HG13 VAL 29 -3.477 3.239 -12.506 227 HG21 VAL 29 HG21 VAL 29 0.266 4.245 -11.471 228 HG22 VAL 29 HG22 VAL 29 -0.043 2.951 -12.629 229 HG23 VAL 29 HG23 VAL 29 0.327 4.577 -13.202 230 H PHE 30 H PHE 30 -3.358 6.425 -11.347 231 HA PHE 30 HA PHE 30 -5.915 5.811 -12.463 232 HB2 PHE 30 HB2 PHE 30 -6.817 6.519 -10.431 233 HB3 PHE 30 HB3 PHE 30 -5.214 5.959 -9.967 234 HD1 PHE 30 HD1 PHE 30 -3.793 7.354 -8.785 235 HD2 PHE 30 HD2 PHE 30 -7.086 9.032 -10.896 236 HE1 PHE 30 HE1 PHE 30 -3.320 9.547 -7.773 237 HE2 PHE 30 HE2 PHE 30 -6.618 11.227 -9.889 238 HZ PHE 30 HZ PHE 30 -4.732 11.487 -8.326 239 H LYS 31 H LYS 31 -3.874 8.632 -12.347 240 HA LYS 31 HA LYS 31 -5.826 10.572 -12.994 241 HB2 LYS 31 HB2 LYS 31 -3.745 11.320 -12.100 242 HB3 LYS 31 HB3 LYS 31 -2.832 10.497 -13.357 243 HG2 LYS 31 HG2 LYS 31 -2.952 12.954 -13.642 244 HG3 LYS 31 HG3 LYS 31 -3.589 12.045 -15.015 245 HD2 LYS 31 HD2 LYS 31 -5.843 12.474 -14.340 246 HD3 LYS 31 HD3 LYS 31 -5.309 13.167 -12.807 247 HE2 LYS 31 HE2 LYS 31 -3.964 14.669 -14.685 248 HE3 LYS 31 HE3 LYS 31 -5.531 14.391 -15.442 249 HZ1 LYS 31 HZ1 LYS 31 -5.927 16.273 -14.223 250 HZ2 LYS 31 HZ2 LYS 31 -4.899 15.825 -12.957 251 HZ3 LYS 31 HZ3 LYS 31 -6.414 15.088 -13.118 252 H GLN 32 H GLN 32 -3.456 8.865 -15.037 253 HA GLN 32 HA GLN 32 -4.465 9.943 -17.468 254 HB2 GLN 32 HB2 GLN 32 -2.192 9.198 -17.416 255 HB3 GLN 32 HB3 GLN 32 -2.668 7.593 -16.877 256 HG2 GLN 32 HG2 GLN 32 -3.983 8.184 -19.340 257 HG3 GLN 32 HG3 GLN 32 -2.256 8.497 -19.506 258 HE21 GLN 32 HE21 GLN 32 -3.972 6.098 -17.557 259 HE22 GLN 32 HE22 GLN 32 -3.237 4.717 -18.290 260 H TYR 33 H TYR 33 -4.841 6.799 -15.860 261 HA TYR 33 HA TYR 33 -6.382 5.518 -17.778 262 HB2 TYR 33 HB2 TYR 33 -5.490 4.316 -15.876 263 HB3 TYR 33 HB3 TYR 33 -6.473 5.265 -14.766 264 HD1 TYR 33 HD1 TYR 33 -6.415 2.462 -17.082 265 HD2 TYR 33 HD2 TYR 33 -8.911 4.904 -14.651 266 HE1 TYR 33 HE1 TYR 33 -8.207 0.786 -17.249 267 HE2 TYR 33 HE2 TYR 33 -10.710 3.235 -14.811 268 HH TYR 33 HH TYR 33 -10.345 0.207 -15.601 269 H ALA 34 H ALA 34 -7.374 7.710 -15.191 270 HA ALA 34 HA ALA 34 -10.172 7.429 -15.677 271 HB1 ALA 34 HB1 ALA 34 -9.411 8.120 -13.502 272 HB2 ALA 34 HB2 ALA 34 -8.623 9.542 -14.186 273 HB3 ALA 34 HB3 ALA 34 -10.382 9.413 -14.207 274 H ASN 35 H ASN 35 -7.751 9.879 -16.550 275 HA ASN 35 HA ASN 35 -9.470 11.662 -17.845 276 HB2 ASN 35 HB2 ASN 35 -7.320 12.485 -17.394 277 HB3 ASN 35 HB3 ASN 35 -6.532 11.078 -18.104 278 HD21 ASN 35 HD21 ASN 35 -6.256 10.963 -20.311 279 HD22 ASN 35 HD22 ASN 35 -6.489 12.322 -21.351 280 H ASP 36 H ASP 36 -7.624 8.917 -19.128 281 HA ASP 36 HA ASP 36 -8.279 9.220 -21.823 282 HB2 ASP 36 HB2 ASP 36 -6.550 7.682 -21.195 283 HB3 ASP 36 HB3 ASP 36 -7.666 6.743 -20.207 284 H ASN 37 H ASN 37 -10.078 7.803 -19.171 285 HA ASN 37 HA ASN 37 -12.098 6.646 -20.858 286 HB2 ASN 37 HB2 ASN 37 -11.475 5.765 -18.585 287 HB3 ASN 37 HB3 ASN 37 -12.247 7.186 -17.887 288 HD21 ASN 37 HD21 ASN 37 -12.984 4.708 -20.323 289 HD22 ASN 37 HD22 ASN 37 -14.594 4.408 -19.774 290 H GLY 38 H GLY 38 -11.395 9.768 -19.944 291 HA2 GLY 38 HA2 GLY 38 -12.579 11.688 -20.538 292 HA3 GLY 38 HA3 GLY 38 -13.992 10.690 -20.850 293 H VAL 39 H VAL 39 -12.328 10.314 -17.844 294 HA VAL 39 HA VAL 39 -14.636 10.896 -16.322 295 HB VAL 39 HB VAL 39 -11.761 10.694 -15.417 296 HG11 VAL 39 HG11 VAL 39 -12.869 11.785 -13.674 297 HG12 VAL 39 HG12 VAL 39 -14.351 10.855 -13.911 298 HG13 VAL 39 HG13 VAL 39 -12.925 10.083 -13.215 299 HG21 VAL 39 HG21 VAL 39 -12.135 8.418 -15.006 300 HG22 VAL 39 HG22 VAL 39 -13.884 8.586 -15.161 301 HG23 VAL 39 HG23 VAL 39 -12.857 8.702 -16.590 302 H ASP 40 H ASP 40 -15.463 12.811 -15.843 303 HA ASP 40 HA ASP 40 -13.637 15.093 -15.489 304 HB2 ASP 40 HB2 ASP 40 -14.977 15.106 -17.665 305 HB3 ASP 40 HB3 ASP 40 -16.403 15.352 -16.660 306 H GLY 41 H GLY 41 -14.086 16.489 -13.821 307 HA2 GLY 41 HA2 GLY 41 -16.237 17.122 -12.418 308 HA3 GLY 41 HA3 GLY 41 -15.983 15.481 -11.841 309 H GLU 42 H GLU 42 -15.412 15.879 -9.762 310 HA GLU 42 HA GLU 42 -13.097 17.643 -9.319 311 HB2 GLU 42 HB2 GLU 42 -15.024 16.715 -7.197 312 HB3 GLU 42 HB3 GLU 42 -13.871 18.039 -7.111 313 HG2 GLU 42 HG2 GLU 42 -15.164 19.317 -8.701 314 HG3 GLU 42 HG3 GLU 42 -16.285 17.973 -8.907 315 H TRP 43 H TRP 43 -11.301 16.881 -8.313 316 HA TRP 43 HA TRP 43 -11.235 13.987 -7.795 317 HB2 TRP 43 HB2 TRP 43 -9.167 15.956 -8.713 318 HB3 TRP 43 HB3 TRP 43 -8.667 14.468 -7.916 319 HD1 TRP 43 HD1 TRP 43 -9.936 15.801 -11.208 320 HE1 TRP 43 HE1 TRP 43 -10.009 13.891 -12.933 321 HE3 TRP 43 HE3 TRP 43 -9.092 11.847 -8.079 322 HZ2 TRP 43 HZ2 TRP 43 -9.745 11.081 -12.963 323 HZ3 TRP 43 HZ3 TRP 43 -9.018 9.581 -9.035 324 HH2 TRP 43 HH2 TRP 43 -9.339 9.208 -11.427 325 H THR 44 H THR 44 -10.623 13.189 -5.850 326 HA THR 44 HA THR 44 -10.045 15.159 -3.735 327 HB THR 44 HB THR 44 -11.020 12.459 -2.981 328 HG1 THR 44 HG1 THR 44 -12.503 12.849 -4.580 329 HG21 THR 44 HG21 THR 44 -10.556 14.061 -1.246 330 HG22 THR 44 HG22 THR 44 -12.303 13.834 -1.340 331 HG23 THR 44 HG23 THR 44 -11.561 15.274 -2.037 332 H TYR 45 H TYR 45 -8.405 14.763 -2.277 333 HA TYR 45 HA TYR 45 -6.770 12.361 -2.709 334 HB2 TYR 45 HB2 TYR 45 -4.742 13.896 -2.377 335 HB3 TYR 45 HB3 TYR 45 -5.551 13.956 -3.939 336 HD1 TYR 45 HD1 TYR 45 -4.687 15.800 -0.937 337 HD2 TYR 45 HD2 TYR 45 -7.004 15.885 -4.504 338 HE1 TYR 45 HE1 TYR 45 -4.965 18.231 -0.691 339 HE2 TYR 45 HE2 TYR 45 -7.287 18.317 -4.269 340 HH TYR 45 HH TYR 45 -5.541 20.148 -1.874 341 H ASP 46 H ASP 46 -6.752 11.304 -0.846 342 HA ASP 46 HA ASP 46 -6.672 12.853 1.658 343 HB2 ASP 46 HB2 ASP 46 -7.605 10.002 1.272 344 HB3 ASP 46 HB3 ASP 46 -7.701 10.947 2.756 345 H ASP 47 H ASP 47 -4.526 13.062 2.055 346 HA ASP 47 HA ASP 47 -2.583 11.077 1.551 347 HB2 ASP 47 HB2 ASP 47 -2.659 13.739 2.664 348 HB3 ASP 47 HB3 ASP 47 -1.617 12.702 3.633 349 H ALA 48 H ALA 48 -4.944 11.323 3.954 350 HA ALA 48 HA ALA 48 -3.563 10.063 6.104 351 HB1 ALA 48 HB1 ALA 48 -5.364 10.811 7.160 352 HB2 ALA 48 HB2 ALA 48 -6.177 11.134 5.628 353 HB3 ALA 48 HB3 ALA 48 -6.309 9.543 6.378 354 H THR 49 H THR 49 -5.792 8.890 3.601 355 HA THR 49 HA THR 49 -5.049 6.134 4.330 356 HB THR 49 HB THR 49 -7.126 5.464 3.082 357 HG1 THR 49 HG1 THR 49 -7.735 8.244 3.252 358 HG21 THR 49 HG21 THR 49 -7.112 7.053 5.599 359 HG22 THR 49 HG22 THR 49 -7.500 5.352 5.340 360 HG23 THR 49 HG23 THR 49 -8.670 6.600 4.909 361 H LYS 50 H LYS 50 -4.104 8.397 2.273 362 HA LYS 50 HA LYS 50 -3.220 8.478 0.171 363 HB2 LYS 50 HB2 LYS 50 -2.668 5.538 0.523 364 HB3 LYS 50 HB3 LYS 50 -1.714 6.727 -0.354 365 HG2 LYS 50 HG2 LYS 50 -2.085 6.665 2.634 366 HG3 LYS 50 HG3 LYS 50 -0.676 6.053 1.765 367 HD2 LYS 50 HD2 LYS 50 -0.339 8.340 0.835 368 HD3 LYS 50 HD3 LYS 50 -1.652 8.906 1.871 369 HE2 LYS 50 HE2 LYS 50 0.567 9.325 2.851 370 HE3 LYS 50 HE3 LYS 50 -0.417 8.255 3.848 371 HZ1 LYS 50 HZ1 LYS 50 0.825 6.396 3.180 372 HZ2 LYS 50 HZ2 LYS 50 1.974 7.591 3.516 373 HZ3 LYS 50 HZ3 LYS 50 1.574 7.229 1.912 374 H THR 51 H THR 51 -5.968 8.148 0.113 375 HA THR 51 HA THR 51 -6.306 6.448 -2.270 376 HB THR 51 HB THR 51 -7.454 5.512 -0.244 377 HG1 THR 51 HG1 THR 51 -8.714 4.735 -1.745 378 HG21 THR 51 HG21 THR 51 -8.147 8.066 0.320 379 HG22 THR 51 HG22 THR 51 -8.997 6.655 0.951 380 HG23 THR 51 HG23 THR 51 -9.620 7.500 -0.466 381 H PHE 52 H PHE 52 -7.374 7.322 -3.981 382 HA PHE 52 HA PHE 52 -8.255 10.117 -3.687 383 HB2 PHE 52 HB2 PHE 52 -7.346 8.817 -6.254 384 HB3 PHE 52 HB3 PHE 52 -7.569 10.533 -5.933 385 HD1 PHE 52 HD1 PHE 52 -5.371 7.656 -5.527 386 HD2 PHE 52 HD2 PHE 52 -5.929 11.783 -4.649 387 HE1 PHE 52 HE1 PHE 52 -2.996 7.842 -4.910 388 HE2 PHE 52 HE2 PHE 52 -3.555 11.976 -4.031 389 HZ PHE 52 HZ PHE 52 -2.085 10.005 -4.162 390 H THR 53 H THR 53 -10.044 10.812 -5.013 391 HA THR 53 HA THR 53 -11.746 8.715 -6.118 392 HB THR 53 HB THR 53 -13.677 9.256 -4.845 393 HG1 THR 53 HG1 THR 53 -13.601 10.956 -3.266 394 HG21 THR 53 HG21 THR 53 -13.081 8.545 -2.672 395 HG22 THR 53 HG22 THR 53 -11.477 9.268 -2.790 396 HG23 THR 53 HG23 THR 53 -11.872 7.839 -3.744 397 H VAL 54 H VAL 54 -13.446 9.520 -7.473 398 HA VAL 54 HA VAL 54 -13.097 12.327 -8.298 399 HB VAL 54 HB VAL 54 -12.032 10.950 -9.973 400 HG11 VAL 54 HG11 VAL 54 -13.203 9.206 -11.181 401 HG12 VAL 54 HG12 VAL 54 -13.212 8.850 -9.453 402 HG13 VAL 54 HG13 VAL 54 -14.660 9.492 -10.229 403 HG21 VAL 54 HG21 VAL 54 -12.875 12.135 -11.678 404 HG22 VAL 54 HG22 VAL 54 -14.492 11.464 -11.470 405 HG23 VAL 54 HG23 VAL 54 -13.964 12.818 -10.472 406 H THR 55 H THR 55 -14.915 13.486 -8.569 407 HA THR 55 HA THR 55 -17.486 12.045 -8.498 408 HB THR 55 HB THR 55 -18.456 13.795 -7.150 409 HG1 THR 55 HG1 THR 55 -16.061 15.091 -7.762 410 HG21 THR 55 HG21 THR 55 -17.664 12.972 -5.215 411 HG22 THR 55 HG22 THR 55 -16.017 13.502 -5.557 412 HG23 THR 55 HG23 THR 55 -16.614 11.986 -6.232 413 H GLU 56 H GLU 56 -18.641 12.358 -10.275 414 HA GLU 56 HA GLU 56 -18.201 14.819 -11.829 415 HB2 GLU 56 HB2 GLU 56 -18.840 13.625 -13.789 416 HB3 GLU 56 HB3 GLU 56 -17.691 12.612 -12.926 417 HG2 GLU 56 HG2 GLU 56 -19.147 10.956 -13.003 418 HG3 GLU 56 HG3 GLU 56 -20.233 11.895 -11.979 Start of MODEL 14 1 H MET 1 H MET 1 1.039 -1.288 1.633 2 HA MET 1 HA MET 1 2.002 0.340 0.043 3 HB2 MET 1 HB2 MET 1 2.746 -2.128 0.134 4 HB3 MET 1 HB3 MET 1 1.831 -2.317 -1.356 5 HG2 MET 1 HG2 MET 1 3.515 -0.033 -1.596 6 HG3 MET 1 HG3 MET 1 4.474 -1.396 -1.023 7 HE1 MET 1 HE1 MET 1 4.389 -3.666 -1.986 8 HE2 MET 1 HE2 MET 1 4.363 -3.978 -3.721 9 HE3 MET 1 HE3 MET 1 5.652 -2.998 -3.020 10 H GLN 2 H GLN 2 -0.580 -1.704 -1.283 11 HA GLN 2 HA GLN 2 -0.793 -0.024 -3.640 12 HB2 GLN 2 HB2 GLN 2 -2.492 -1.615 -4.377 13 HB3 GLN 2 HB3 GLN 2 -1.033 -2.454 -3.868 14 HG2 GLN 2 HG2 GLN 2 -2.247 -3.699 -2.510 15 HG3 GLN 2 HG3 GLN 2 -2.688 -2.255 -1.600 16 HE21 GLN 2 HE21 GLN 2 -4.569 -1.056 -2.353 17 HE22 GLN 2 HE22 GLN 2 -5.878 -1.921 -3.076 18 H TYR 3 H TYR 3 -2.644 1.157 -4.218 19 HA TYR 3 HA TYR 3 -4.304 1.952 -1.922 20 HB2 TYR 3 HB2 TYR 3 -4.732 4.005 -3.472 21 HB3 TYR 3 HB3 TYR 3 -3.212 3.890 -2.593 22 HD1 TYR 3 HD1 TYR 3 -4.796 3.893 -5.863 23 HD2 TYR 3 HD2 TYR 3 -1.137 3.271 -3.784 24 HE1 TYR 3 HE1 TYR 3 -3.565 4.093 -7.983 25 HE2 TYR 3 HE2 TYR 3 0.105 3.470 -5.897 26 HH TYR 3 HH TYR 3 -1.457 4.459 -8.861 27 H LYS 4 H LYS 4 -6.533 2.634 -2.439 28 HA LYS 4 HA LYS 4 -7.671 0.959 -4.580 29 HB2 LYS 4 HB2 LYS 4 -8.218 0.295 -2.217 30 HB3 LYS 4 HB3 LYS 4 -9.050 1.835 -2.039 31 HG2 LYS 4 HG2 LYS 4 -10.572 1.208 -3.859 32 HG3 LYS 4 HG3 LYS 4 -9.753 -0.350 -3.990 33 HD2 LYS 4 HD2 LYS 4 -10.878 0.543 -1.364 34 HD3 LYS 4 HD3 LYS 4 -11.937 -0.158 -2.590 35 HE2 LYS 4 HE2 LYS 4 -9.939 -1.957 -2.618 36 HE3 LYS 4 HE3 LYS 4 -9.831 -1.417 -0.943 37 HZ1 LYS 4 HZ1 LYS 4 -12.268 -2.477 -2.271 38 HZ2 LYS 4 HZ2 LYS 4 -12.179 -1.943 -0.669 39 HZ3 LYS 4 HZ3 LYS 4 -11.308 -3.309 -1.154 40 H LEU 5 H LEU 5 -9.059 1.853 -6.019 41 HA LEU 5 HA LEU 5 -9.369 4.759 -5.904 42 HB2 LEU 5 HB2 LEU 5 -8.461 3.436 -7.924 43 HB3 LEU 5 HB3 LEU 5 -10.149 3.020 -8.217 44 HG LEU 5 HG LEU 5 -9.311 4.920 -9.585 45 HD11 LEU 5 HD11 LEU 5 -11.376 6.108 -7.829 46 HD12 LEU 5 HD12 LEU 5 -11.743 4.547 -8.562 47 HD13 LEU 5 HD13 LEU 5 -11.340 5.928 -9.583 48 HD21 LEU 5 HD21 LEU 5 -8.299 6.700 -8.706 49 HD22 LEU 5 HD22 LEU 5 -8.168 5.764 -7.217 50 HD23 LEU 5 HD23 LEU 5 -9.521 6.873 -7.446 51 H ILE 6 H ILE 6 -11.285 5.753 -5.658 52 HA ILE 6 HA ILE 6 -13.688 4.051 -5.530 53 HB ILE 6 HB ILE 6 -13.069 6.544 -3.943 54 HG12 ILE 6 HG12 ILE 6 -13.569 4.677 -2.095 55 HG13 ILE 6 HG13 ILE 6 -12.978 3.623 -3.376 56 HG21 ILE 6 HG21 ILE 6 -15.559 4.868 -4.123 57 HG22 ILE 6 HG22 ILE 6 -15.231 5.960 -2.779 58 HG23 ILE 6 HG23 ILE 6 -15.387 6.598 -4.415 59 HD11 ILE 6 HD11 ILE 6 -10.910 4.099 -2.771 60 HD12 ILE 6 HD12 ILE 6 -11.186 5.790 -3.189 61 HD13 ILE 6 HD13 ILE 6 -11.504 5.224 -1.550 62 H LEU 7 H LEU 7 -15.100 4.433 -7.092 63 HA LEU 7 HA LEU 7 -15.040 7.007 -8.485 64 HB2 LEU 7 HB2 LEU 7 -16.584 4.546 -9.262 65 HB3 LEU 7 HB3 LEU 7 -16.191 5.938 -10.269 66 HG LEU 7 HG LEU 7 -14.063 4.120 -9.174 67 HD11 LEU 7 HD11 LEU 7 -14.589 2.499 -10.590 68 HD12 LEU 7 HD12 LEU 7 -14.619 3.635 -11.938 69 HD13 LEU 7 HD13 LEU 7 -16.076 3.361 -10.984 70 HD21 LEU 7 HD21 LEU 7 -12.769 5.005 -11.027 71 HD22 LEU 7 HD22 LEU 7 -13.385 6.321 -10.027 72 HD23 LEU 7 HD23 LEU 7 -14.156 5.951 -11.570 73 H ASN 8 H ASN 8 -16.612 8.471 -8.291 74 HA ASN 8 HA ASN 8 -19.170 7.638 -7.099 75 HB2 ASN 8 HB2 ASN 8 -17.419 8.970 -5.613 76 HB3 ASN 8 HB3 ASN 8 -18.092 10.351 -6.476 77 HD21 ASN 8 HD21 ASN 8 -20.654 10.000 -6.662 78 HD22 ASN 8 HD22 ASN 8 -21.409 9.761 -5.127 79 H GLY 9 H GLY 9 -19.564 7.601 -9.526 80 HA2 GLY 9 HA2 GLY 9 -19.873 10.216 -10.758 81 HA3 GLY 9 HA3 GLY 9 -20.195 8.661 -11.512 82 H LYS 10 H LYS 10 -21.938 10.716 -11.903 83 HA LYS 10 HA LYS 10 -24.111 10.561 -10.010 84 HB2 LYS 10 HB2 LYS 10 -24.171 11.806 -12.758 85 HB3 LYS 10 HB3 LYS 10 -25.223 12.163 -11.394 86 HG2 LYS 10 HG2 LYS 10 -22.274 12.758 -11.544 87 HG3 LYS 10 HG3 LYS 10 -23.581 13.926 -11.749 88 HD2 LYS 10 HD2 LYS 10 -23.216 14.283 -9.545 89 HD3 LYS 10 HD3 LYS 10 -24.274 12.881 -9.372 90 HE2 LYS 10 HE2 LYS 10 -22.489 11.436 -8.960 91 HE3 LYS 10 HE3 LYS 10 -21.308 12.550 -9.645 92 HZ1 LYS 10 HZ1 LYS 10 -21.158 12.493 -7.242 93 HZ2 LYS 10 HZ2 LYS 10 -22.783 12.939 -7.097 94 HZ3 LYS 10 HZ3 LYS 10 -21.664 14.023 -7.757 95 H THR 11 H THR 11 -23.439 9.400 -13.284 96 HA THR 11 HA THR 11 -25.826 7.680 -13.082 97 HB THR 11 HB THR 11 -26.096 7.742 -15.443 98 HG1 THR 11 HG1 THR 11 -24.481 8.165 -16.754 99 HG21 THR 11 HG21 THR 11 -25.411 10.583 -15.254 100 HG22 THR 11 HG22 THR 11 -26.369 9.986 -13.898 101 HG23 THR 11 HG23 THR 11 -26.968 9.810 -15.547 102 H LEU 12 H LEU 12 -22.642 7.550 -12.677 103 HA LEU 12 HA LEU 12 -22.512 4.754 -13.510 104 HB2 LEU 12 HB2 LEU 12 -20.144 6.503 -14.021 105 HB3 LEU 12 HB3 LEU 12 -20.539 4.931 -14.712 106 HG LEU 12 HG LEU 12 -22.539 6.357 -15.761 107 HD11 LEU 12 HD11 LEU 12 -21.335 8.524 -16.543 108 HD12 LEU 12 HD12 LEU 12 -20.399 8.319 -15.062 109 HD13 LEU 12 HD13 LEU 12 -22.152 8.491 -14.980 110 HD21 LEU 12 HD21 LEU 12 -20.533 5.017 -16.776 111 HD22 LEU 12 HD22 LEU 12 -19.875 6.626 -17.075 112 HD23 LEU 12 HD23 LEU 12 -21.432 6.167 -17.765 113 H LYS 13 H LYS 13 -21.374 3.465 -12.139 114 HA LYS 13 HA LYS 13 -19.713 4.705 -10.077 115 HB2 LYS 13 HB2 LYS 13 -22.073 2.900 -9.531 116 HB3 LYS 13 HB3 LYS 13 -20.831 3.267 -8.341 117 HG2 LYS 13 HG2 LYS 13 -22.579 5.318 -9.683 118 HG3 LYS 13 HG3 LYS 13 -22.867 4.632 -8.082 119 HD2 LYS 13 HD2 LYS 13 -20.176 5.542 -8.189 120 HD3 LYS 13 HD3 LYS 13 -21.217 6.831 -8.798 121 HE2 LYS 13 HE2 LYS 13 -21.445 5.403 -6.152 122 HE3 LYS 13 HE3 LYS 13 -20.960 7.077 -6.416 123 HZ1 LYS 13 HZ1 LYS 13 -23.121 7.446 -5.971 124 HZ2 LYS 13 HZ2 LYS 13 -23.613 5.892 -6.425 125 HZ3 LYS 13 HZ3 LYS 13 -23.331 7.068 -7.607 126 H GLY 14 H GLY 14 -18.198 3.291 -9.109 127 HA2 GLY 14 HA2 GLY 14 -18.042 0.526 -9.585 128 HA3 GLY 14 HA3 GLY 14 -17.109 1.352 -10.825 129 H GLU 15 H GLU 15 -15.673 -0.281 -9.370 130 HA GLU 15 HA GLU 15 -13.987 1.505 -7.820 131 HB2 GLU 15 HB2 GLU 15 -15.629 0.454 -6.217 132 HB3 GLU 15 HB3 GLU 15 -14.914 -1.102 -6.615 133 HG2 GLU 15 HG2 GLU 15 -12.714 -0.189 -5.858 134 HG3 GLU 15 HG3 GLU 15 -13.577 1.236 -5.282 135 H THR 16 H THR 16 -11.854 0.988 -7.933 136 HA THR 16 HA THR 16 -11.062 -1.639 -8.929 137 HB THR 16 HB THR 16 -9.540 0.408 -10.307 138 HG1 THR 16 HG1 THR 16 -11.292 0.993 -11.733 139 HG21 THR 16 HG21 THR 16 -11.283 -1.802 -11.397 140 HG22 THR 16 HG22 THR 16 -9.632 -2.034 -10.822 141 HG23 THR 16 HG23 THR 16 -9.944 -0.997 -12.214 142 H THR 17 H THR 17 -8.739 -2.017 -8.756 143 HA THR 17 HA THR 17 -7.391 -0.221 -6.855 144 HB THR 17 HB THR 17 -6.603 -2.028 -5.520 145 HG1 THR 17 HG1 THR 17 -7.964 -3.888 -7.177 146 HG21 THR 17 HG21 THR 17 -9.307 -1.421 -5.740 147 HG22 THR 17 HG22 THR 17 -8.520 -2.241 -4.392 148 HG23 THR 17 HG23 THR 17 -9.256 -3.183 -5.688 149 H THR 18 H THR 18 -5.153 -0.103 -7.021 150 HA THR 18 HA THR 18 -3.818 -1.695 -9.070 151 HB THR 18 HB THR 18 -4.482 0.161 -10.405 152 HG1 THR 18 HG1 THR 18 -2.300 -0.392 -10.698 153 HG21 THR 18 HG21 THR 18 -4.008 1.669 -7.939 154 HG22 THR 18 HG22 THR 18 -5.109 2.001 -9.276 155 HG23 THR 18 HG23 THR 18 -3.413 2.469 -9.393 156 H GLU 19 H GLU 19 -1.600 -1.881 -8.792 157 HA GLU 19 HA GLU 19 -0.608 -0.901 -6.207 158 HB2 GLU 19 HB2 GLU 19 0.966 -2.721 -6.246 159 HB3 GLU 19 HB3 GLU 19 -0.635 -3.361 -6.590 160 HG2 GLU 19 HG2 GLU 19 -0.058 -3.292 -9.016 161 HG3 GLU 19 HG3 GLU 19 1.587 -2.858 -8.552 162 H ALA 20 H ALA 20 1.132 0.400 -6.065 163 HA ALA 20 HA ALA 20 2.711 0.903 -8.491 164 HB1 ALA 20 HB1 ALA 20 2.157 3.058 -8.641 165 HB2 ALA 20 HB2 ALA 20 0.809 2.671 -7.571 166 HB3 ALA 20 HB3 ALA 20 2.313 3.305 -6.901 167 H VAL 21 H VAL 21 4.770 2.033 -8.029 168 HA VAL 21 HA VAL 21 5.848 1.145 -5.440 169 HB VAL 21 HB VAL 21 6.905 0.163 -7.447 170 HG11 VAL 21 HG11 VAL 21 7.478 1.369 -9.225 171 HG12 VAL 21 HG12 VAL 21 6.705 2.756 -8.457 172 HG13 VAL 21 HG13 VAL 21 8.432 2.476 -8.239 173 HG21 VAL 21 HG21 VAL 21 9.098 0.335 -6.663 174 HG22 VAL 21 HG22 VAL 21 8.887 2.012 -6.158 175 HG23 VAL 21 HG23 VAL 21 8.116 0.713 -5.248 176 H ASP 22 H ASP 22 5.064 3.904 -7.264 177 HA ASP 22 HA ASP 22 6.432 5.600 -5.296 178 HB2 ASP 22 HB2 ASP 22 6.585 5.777 -8.285 179 HB3 ASP 22 HB3 ASP 22 6.694 7.246 -7.318 180 H ALA 23 H ALA 23 5.400 7.565 -4.824 181 HA ALA 23 HA ALA 23 2.555 7.493 -5.050 182 HB1 ALA 23 HB1 ALA 23 2.758 9.781 -3.929 183 HB2 ALA 23 HB2 ALA 23 3.360 8.382 -3.040 184 HB3 ALA 23 HB3 ALA 23 4.490 9.456 -3.864 185 H ALA 24 H ALA 24 5.116 9.436 -6.521 186 HA ALA 24 HA ALA 24 3.481 11.296 -7.842 187 HB1 ALA 24 HB1 ALA 24 6.277 10.501 -7.906 188 HB2 ALA 24 HB2 ALA 24 5.676 11.014 -9.483 189 HB3 ALA 24 HB3 ALA 24 5.548 12.096 -8.095 190 H THR 25 H THR 25 4.703 8.130 -8.848 191 HA THR 25 HA THR 25 3.536 8.297 -11.467 192 HB THR 25 HB THR 25 4.673 5.922 -9.978 193 HG1 THR 25 HG1 THR 25 6.517 6.356 -11.155 194 HG21 THR 25 HG21 THR 25 3.500 4.804 -11.571 195 HG22 THR 25 HG22 THR 25 4.886 5.250 -12.566 196 HG23 THR 25 HG23 THR 25 3.405 6.204 -12.638 197 H ALA 26 H ALA 26 2.604 6.990 -8.356 198 HA ALA 26 HA ALA 26 0.521 5.305 -9.150 199 HB1 ALA 26 HB1 ALA 26 1.285 6.690 -6.654 200 HB2 ALA 26 HB2 ALA 26 -0.387 6.141 -6.775 201 HB3 ALA 26 HB3 ALA 26 0.934 4.986 -6.948 202 H GLU 27 H GLU 27 0.484 8.764 -8.341 203 HA GLU 27 HA GLU 27 -2.296 9.123 -8.671 204 HB2 GLU 27 HB2 GLU 27 -1.007 10.752 -7.451 205 HB3 GLU 27 HB3 GLU 27 -0.001 11.077 -8.855 206 HG2 GLU 27 HG2 GLU 27 -1.934 12.005 -10.026 207 HG3 GLU 27 HG3 GLU 27 -2.938 11.687 -8.613 208 H LYS 28 H LYS 28 0.420 9.310 -10.899 209 HA LYS 28 HA LYS 28 -0.897 10.489 -13.074 210 HB2 LYS 28 HB2 LYS 28 1.639 9.291 -12.560 211 HB3 LYS 28 HB3 LYS 28 1.000 8.597 -14.044 212 HG2 LYS 28 HG2 LYS 28 2.136 10.409 -14.855 213 HG3 LYS 28 HG3 LYS 28 0.519 11.089 -14.659 214 HD2 LYS 28 HD2 LYS 28 1.122 12.210 -12.673 215 HD3 LYS 28 HD3 LYS 28 2.611 11.277 -12.506 216 HE2 LYS 28 HE2 LYS 28 3.542 12.364 -14.464 217 HE3 LYS 28 HE3 LYS 28 2.034 13.238 -14.725 218 HZ1 LYS 28 HZ1 LYS 28 4.196 13.825 -12.935 219 HZ2 LYS 28 HZ2 LYS 28 2.690 13.854 -12.165 220 HZ3 LYS 28 HZ3 LYS 28 2.968 14.836 -13.513 221 H VAL 29 H VAL 29 -0.731 7.154 -11.977 222 HA VAL 29 HA VAL 29 -1.737 5.847 -14.217 223 HB VAL 29 HB VAL 29 -2.234 5.169 -11.315 224 HG11 VAL 29 HG11 VAL 29 -3.052 3.903 -13.809 225 HG12 VAL 29 HG12 VAL 29 -2.169 2.818 -12.734 226 HG13 VAL 29 HG13 VAL 29 -3.624 3.636 -12.162 227 HG21 VAL 29 HG21 VAL 29 -0.353 3.436 -12.100 228 HG22 VAL 29 HG22 VAL 29 0.068 4.800 -13.136 229 HG23 VAL 29 HG23 VAL 29 0.027 5.003 -11.384 230 H PHE 30 H PHE 30 -3.522 7.188 -11.442 231 HA PHE 30 HA PHE 30 -6.086 6.557 -12.478 232 HB2 PHE 30 HB2 PHE 30 -5.160 8.471 -10.338 233 HB3 PHE 30 HB3 PHE 30 -6.859 8.260 -10.748 234 HD1 PHE 30 HD1 PHE 30 -6.832 5.303 -11.258 235 HD2 PHE 30 HD2 PHE 30 -5.118 7.648 -8.147 236 HE1 PHE 30 HE1 PHE 30 -6.958 3.372 -9.738 237 HE2 PHE 30 HE2 PHE 30 -5.241 5.721 -6.623 238 HZ PHE 30 HZ PHE 30 -6.161 3.579 -7.417 239 H LYS 31 H LYS 31 -4.033 9.416 -12.638 240 HA LYS 31 HA LYS 31 -5.873 11.218 -13.718 241 HB2 LYS 31 HB2 LYS 31 -3.005 11.070 -13.359 242 HB3 LYS 31 HB3 LYS 31 -3.406 11.826 -14.896 243 HG2 LYS 31 HG2 LYS 31 -4.492 12.680 -12.220 244 HG3 LYS 31 HG3 LYS 31 -3.142 13.445 -13.062 245 HD2 LYS 31 HD2 LYS 31 -5.787 13.122 -14.427 246 HD3 LYS 31 HD3 LYS 31 -5.527 14.449 -13.293 247 HE2 LYS 31 HE2 LYS 31 -3.543 13.948 -15.468 248 HE3 LYS 31 HE3 LYS 31 -5.054 14.776 -15.842 249 HZ1 LYS 31 HZ1 LYS 31 -2.832 15.654 -14.131 250 HZ2 LYS 31 HZ2 LYS 31 -4.392 16.222 -13.811 251 HZ3 LYS 31 HZ3 LYS 31 -3.678 16.516 -15.316 252 H GLN 32 H GLN 32 -3.601 9.038 -15.373 253 HA GLN 32 HA GLN 32 -4.553 9.745 -17.979 254 HB2 GLN 32 HB2 GLN 32 -2.288 9.010 -17.803 255 HB3 GLN 32 HB3 GLN 32 -2.765 7.532 -16.978 256 HG2 GLN 32 HG2 GLN 32 -4.079 7.671 -19.511 257 HG3 GLN 32 HG3 GLN 32 -2.349 7.929 -19.725 258 HE21 GLN 32 HE21 GLN 32 -4.084 5.952 -17.366 259 HE22 GLN 32 HE22 GLN 32 -3.368 4.451 -17.833 260 H TYR 33 H TYR 33 -4.953 6.923 -15.860 261 HA TYR 33 HA TYR 33 -6.518 5.363 -17.552 262 HB2 TYR 33 HB2 TYR 33 -5.581 4.482 -15.486 263 HB3 TYR 33 HB3 TYR 33 -6.593 5.562 -14.534 264 HD1 TYR 33 HD1 TYR 33 -6.515 2.505 -16.546 265 HD2 TYR 33 HD2 TYR 33 -8.964 5.114 -14.244 266 HE1 TYR 33 HE1 TYR 33 -8.271 0.783 -16.474 267 HE2 TYR 33 HE2 TYR 33 -10.726 3.399 -14.164 268 HH TYR 33 HH TYR 33 -10.539 0.483 -16.062 269 H ALA 34 H ALA 34 -7.504 7.827 -15.197 270 HA ALA 34 HA ALA 34 -10.296 7.523 -15.703 271 HB1 ALA 34 HB1 ALA 34 -10.628 9.202 -14.152 272 HB2 ALA 34 HB2 ALA 34 -9.083 8.525 -13.635 273 HB3 ALA 34 HB3 ALA 34 -9.122 10.024 -14.563 274 H ASN 35 H ASN 35 -7.859 9.907 -16.712 275 HA ASN 35 HA ASN 35 -9.571 11.550 -18.202 276 HB2 ASN 35 HB2 ASN 35 -7.420 12.401 -17.659 277 HB3 ASN 35 HB3 ASN 35 -6.608 11.020 -18.389 278 HD21 ASN 35 HD21 ASN 35 -6.250 10.982 -20.563 279 HD22 ASN 35 HD22 ASN 35 -6.561 12.328 -21.602 280 H ASP 36 H ASP 36 -7.948 8.555 -18.995 281 HA ASP 36 HA ASP 36 -8.155 8.601 -21.775 282 HB2 ASP 36 HB2 ASP 36 -6.866 6.905 -20.561 283 HB3 ASP 36 HB3 ASP 36 -8.357 6.222 -19.915 284 H ASN 37 H ASN 37 -10.592 8.297 -19.380 285 HA ASN 37 HA ASN 37 -12.533 7.278 -21.327 286 HB2 ASN 37 HB2 ASN 37 -12.190 6.492 -18.791 287 HB3 ASN 37 HB3 ASN 37 -13.323 7.810 -18.509 288 HD21 ASN 37 HD21 ASN 37 -12.970 4.588 -19.374 289 HD22 ASN 37 HD22 ASN 37 -14.592 4.282 -19.886 290 H GLY 38 H GLY 38 -11.353 10.176 -20.291 291 HA2 GLY 38 HA2 GLY 38 -12.073 12.321 -20.747 292 HA3 GLY 38 HA3 GLY 38 -13.522 11.634 -21.465 293 H VAL 39 H VAL 39 -12.642 10.763 -18.228 294 HA VAL 39 HA VAL 39 -15.117 11.594 -17.161 295 HB VAL 39 HB VAL 39 -13.744 9.780 -16.186 296 HG11 VAL 39 HG11 VAL 39 -11.722 11.716 -16.228 297 HG12 VAL 39 HG12 VAL 39 -12.058 11.409 -14.523 298 HG13 VAL 39 HG13 VAL 39 -11.624 10.074 -15.592 299 HG21 VAL 39 HG21 VAL 39 -15.409 11.494 -14.914 300 HG22 VAL 39 HG22 VAL 39 -14.705 10.060 -14.167 301 HG23 VAL 39 HG23 VAL 39 -13.962 11.639 -13.917 302 H ASP 40 H ASP 40 -15.737 13.385 -16.057 303 HA ASP 40 HA ASP 40 -13.728 15.496 -15.642 304 HB2 ASP 40 HB2 ASP 40 -15.255 15.843 -17.666 305 HB3 ASP 40 HB3 ASP 40 -16.560 16.069 -16.504 306 H GLY 41 H GLY 41 -13.910 16.691 -13.785 307 HA2 GLY 41 HA2 GLY 41 -15.979 17.206 -12.143 308 HA3 GLY 41 HA3 GLY 41 -15.585 15.548 -11.715 309 H GLU 42 H GLU 42 -14.865 15.945 -9.657 310 HA GLU 42 HA GLU 42 -12.422 17.581 -9.452 311 HB2 GLU 42 HB2 GLU 42 -14.538 18.429 -8.264 312 HB3 GLU 42 HB3 GLU 42 -14.304 17.083 -7.157 313 HG2 GLU 42 HG2 GLU 42 -13.079 18.518 -5.976 314 HG3 GLU 42 HG3 GLU 42 -11.828 18.212 -7.179 315 H TRP 43 H TRP 43 -10.752 16.812 -8.136 316 HA TRP 43 HA TRP 43 -10.949 13.946 -7.482 317 HB2 TRP 43 HB2 TRP 43 -8.602 15.612 -8.394 318 HB3 TRP 43 HB3 TRP 43 -8.413 14.004 -7.699 319 HD1 TRP 43 HD1 TRP 43 -9.867 15.760 -10.798 320 HE1 TRP 43 HE1 TRP 43 -10.069 14.027 -12.690 321 HE3 TRP 43 HE3 TRP 43 -8.601 11.553 -8.184 322 HZ2 TRP 43 HZ2 TRP 43 -9.737 11.245 -13.030 323 HZ3 TRP 43 HZ3 TRP 43 -8.567 9.395 -9.367 324 HH2 TRP 43 HH2 TRP 43 -9.124 9.246 -11.739 325 H THR 44 H THR 44 -9.926 13.187 -5.579 326 HA THR 44 HA THR 44 -9.558 15.277 -3.534 327 HB THR 44 HB THR 44 -10.143 12.447 -2.776 328 HG1 THR 44 HG1 THR 44 -11.706 13.130 -4.415 329 HG21 THR 44 HG21 THR 44 -11.304 13.556 -0.915 330 HG22 THR 44 HG22 THR 44 -10.926 15.127 -1.622 331 HG23 THR 44 HG23 THR 44 -9.627 14.085 -1.042 332 H TYR 45 H TYR 45 -7.821 15.166 -2.140 333 HA TYR 45 HA TYR 45 -5.854 13.034 -2.615 334 HB2 TYR 45 HB2 TYR 45 -4.078 14.863 -2.362 335 HB3 TYR 45 HB3 TYR 45 -4.949 14.798 -3.890 336 HD1 TYR 45 HD1 TYR 45 -6.692 16.486 -4.392 337 HD2 TYR 45 HD2 TYR 45 -4.262 16.752 -0.910 338 HE1 TYR 45 HE1 TYR 45 -7.334 18.845 -4.132 339 HE2 TYR 45 HE2 TYR 45 -4.898 19.112 -0.639 340 HH TYR 45 HH TYR 45 -7.280 20.629 -2.766 341 H ASP 46 H ASP 46 -5.573 12.010 -0.758 342 HA ASP 46 HA ASP 46 -5.358 13.601 1.709 343 HB2 ASP 46 HB2 ASP 46 -6.666 10.881 1.539 344 HB3 ASP 46 HB3 ASP 46 -6.574 11.930 2.951 345 H ASP 47 H ASP 47 -3.185 13.522 1.963 346 HA ASP 47 HA ASP 47 -1.565 11.284 1.381 347 HB2 ASP 47 HB2 ASP 47 0.134 12.507 2.824 348 HB3 ASP 47 HB3 ASP 47 -0.501 13.405 1.448 349 H ALA 48 H ALA 48 -3.707 11.869 3.919 350 HA ALA 48 HA ALA 48 -2.360 10.496 6.018 351 HB1 ALA 48 HB1 ALA 48 -4.417 12.131 6.063 352 HB2 ALA 48 HB2 ALA 48 -5.333 10.630 5.921 353 HB3 ALA 48 HB3 ALA 48 -4.234 10.868 7.280 354 H THR 49 H THR 49 -4.840 9.538 3.665 355 HA THR 49 HA THR 49 -4.374 6.730 4.425 356 HB THR 49 HB THR 49 -6.637 6.981 4.782 357 HG1 THR 49 HG1 THR 49 -7.634 5.895 3.102 358 HG21 THR 49 HG21 THR 49 -6.815 9.301 4.064 359 HG22 THR 49 HG22 THR 49 -8.132 8.349 3.379 360 HG23 THR 49 HG23 THR 49 -6.755 8.801 2.375 361 H LYS 50 H LYS 50 -3.637 8.970 2.111 362 HA LYS 50 HA LYS 50 -2.853 8.883 -0.024 363 HB2 LYS 50 HB2 LYS 50 -2.406 5.941 0.467 364 HB3 LYS 50 HB3 LYS 50 -1.512 7.002 -0.614 365 HG2 LYS 50 HG2 LYS 50 -1.519 7.178 2.392 366 HG3 LYS 50 HG3 LYS 50 -0.245 6.460 1.404 367 HD2 LYS 50 HD2 LYS 50 -0.059 8.707 0.251 368 HD3 LYS 50 HD3 LYS 50 -1.096 9.345 1.529 369 HE2 LYS 50 HE2 LYS 50 1.280 9.710 2.012 370 HE3 LYS 50 HE3 LYS 50 0.519 8.663 3.210 371 HZ1 LYS 50 HZ1 LYS 50 2.815 8.053 2.149 372 HZ2 LYS 50 HZ2 LYS 50 1.848 7.417 0.915 373 HZ3 LYS 50 HZ3 LYS 50 1.678 6.850 2.500 374 H THR 51 H THR 51 -5.710 8.139 0.580 375 HA THR 51 HA THR 51 -6.373 6.345 -1.614 376 HB THR 51 HB THR 51 -7.558 6.300 0.641 377 HG1 THR 51 HG1 THR 51 -8.361 5.607 -1.632 378 HG21 THR 51 HG21 THR 51 -9.206 8.553 -0.456 379 HG22 THR 51 HG22 THR 51 -7.813 8.874 0.576 380 HG23 THR 51 HG23 THR 51 -9.157 7.908 1.183 381 H PHE 52 H PHE 52 -7.360 6.932 -3.493 382 HA PHE 52 HA PHE 52 -7.724 9.822 -3.940 383 HB2 PHE 52 HB2 PHE 52 -6.784 7.682 -5.857 384 HB3 PHE 52 HB3 PHE 52 -7.209 9.319 -6.348 385 HD1 PHE 52 HD1 PHE 52 -5.841 11.227 -5.609 386 HD2 PHE 52 HD2 PHE 52 -4.715 7.205 -4.793 387 HE1 PHE 52 HE1 PHE 52 -3.549 11.973 -5.112 388 HE2 PHE 52 HE2 PHE 52 -2.422 7.944 -4.293 389 HZ PHE 52 HZ PHE 52 -1.837 10.331 -4.452 390 H THR 53 H THR 53 -9.544 10.521 -4.998 391 HA THR 53 HA THR 53 -11.454 8.551 -5.992 392 HB THR 53 HB THR 53 -13.281 9.268 -4.664 393 HG1 THR 53 HG1 THR 53 -13.019 11.443 -4.460 394 HG21 THR 53 HG21 THR 53 -12.667 8.561 -2.506 395 HG22 THR 53 HG22 THR 53 -11.034 9.206 -2.667 396 HG23 THR 53 HG23 THR 53 -11.510 7.774 -3.578 397 H VAL 54 H VAL 54 -13.131 9.465 -7.307 398 HA VAL 54 HA VAL 54 -12.783 12.269 -8.078 399 HB VAL 54 HB VAL 54 -11.398 11.097 -9.667 400 HG11 VAL 54 HG11 VAL 54 -13.285 9.038 -9.371 401 HG12 VAL 54 HG12 VAL 54 -13.354 9.534 -11.064 402 HG13 VAL 54 HG13 VAL 54 -11.820 9.028 -10.353 403 HG21 VAL 54 HG21 VAL 54 -12.233 12.052 -11.589 404 HG22 VAL 54 HG22 VAL 54 -13.894 11.577 -11.234 405 HG23 VAL 54 HG23 VAL 54 -13.152 12.914 -10.354 406 H THR 55 H THR 55 -14.706 13.201 -7.974 407 HA THR 55 HA THR 55 -17.112 11.566 -8.373 408 HB THR 55 HB THR 55 -16.770 14.265 -7.054 409 HG1 THR 55 HG1 THR 55 -16.100 12.539 -5.750 410 HG21 THR 55 HG21 THR 55 -18.912 14.358 -8.019 411 HG22 THR 55 HG22 THR 55 -19.195 13.817 -6.364 412 HG23 THR 55 HG23 THR 55 -19.228 12.655 -7.690 413 H GLU 56 H GLU 56 -18.653 12.075 -9.876 414 HA GLU 56 HA GLU 56 -18.001 14.279 -11.721 415 HB2 GLU 56 HB2 GLU 56 -19.506 11.815 -12.555 416 HB3 GLU 56 HB3 GLU 56 -18.666 12.984 -13.565 417 HG2 GLU 56 HG2 GLU 56 -16.524 12.181 -12.751 418 HG3 GLU 56 HG3 GLU 56 -17.343 11.039 -11.687 Start of MODEL 15 1 H MET 1 H MET 1 2.229 0.829 0.752 2 HA MET 1 HA MET 1 3.123 1.365 -1.361 3 HB2 MET 1 HB2 MET 1 3.168 -1.235 -0.579 4 HB3 MET 1 HB3 MET 1 2.409 -1.385 -2.157 5 HG2 MET 1 HG2 MET 1 4.304 -0.149 -3.144 6 HG3 MET 1 HG3 MET 1 5.074 -0.125 -1.560 7 HE1 MET 1 HE1 MET 1 5.964 -2.998 -4.651 8 HE2 MET 1 HE2 MET 1 4.283 -2.473 -4.753 9 HE3 MET 1 HE3 MET 1 5.576 -1.277 -4.640 10 H GLN 2 H GLN 2 0.144 -0.546 -1.762 11 HA GLN 2 HA GLN 2 -0.278 0.687 -4.378 12 HB2 GLN 2 HB2 GLN 2 -2.052 -0.970 -4.666 13 HB3 GLN 2 HB3 GLN 2 -0.539 -1.744 -4.212 14 HG2 GLN 2 HG2 GLN 2 -1.488 -2.686 -2.454 15 HG3 GLN 2 HG3 GLN 2 -2.046 -1.123 -1.861 16 HE21 GLN 2 HE21 GLN 2 -3.882 -0.302 -3.546 17 HE22 GLN 2 HE22 GLN 2 -5.187 -1.426 -3.685 18 H TYR 3 H TYR 3 -2.091 1.896 -4.896 19 HA TYR 3 HA TYR 3 -3.563 2.962 -2.581 20 HB2 TYR 3 HB2 TYR 3 -3.846 5.009 -3.807 21 HB3 TYR 3 HB3 TYR 3 -2.145 4.566 -3.881 22 HD1 TYR 3 HD1 TYR 3 -5.202 5.076 -5.784 23 HD2 TYR 3 HD2 TYR 3 -1.179 3.704 -5.981 24 HE1 TYR 3 HE1 TYR 3 -5.280 5.218 -8.238 25 HE2 TYR 3 HE2 TYR 3 -1.246 3.843 -8.436 26 HH TYR 3 HH TYR 3 -4.155 4.293 -10.173 27 H LYS 4 H LYS 4 -5.808 3.608 -2.961 28 HA LYS 4 HA LYS 4 -7.130 1.834 -4.909 29 HB2 LYS 4 HB2 LYS 4 -7.486 1.238 -2.509 30 HB3 LYS 4 HB3 LYS 4 -8.244 2.807 -2.273 31 HG2 LYS 4 HG2 LYS 4 -9.605 1.754 -4.429 32 HG3 LYS 4 HG3 LYS 4 -9.336 0.360 -3.380 33 HD2 LYS 4 HD2 LYS 4 -10.237 2.838 -2.050 34 HD3 LYS 4 HD3 LYS 4 -11.412 2.051 -3.107 35 HE2 LYS 4 HE2 LYS 4 -11.855 0.971 -1.141 36 HE3 LYS 4 HE3 LYS 4 -10.629 -0.103 -1.811 37 HZ1 LYS 4 HZ1 LYS 4 -9.960 0.245 0.372 38 HZ2 LYS 4 HZ2 LYS 4 -10.344 1.892 0.347 39 HZ3 LYS 4 HZ3 LYS 4 -8.994 1.326 -0.500 40 H LEU 5 H LEU 5 -8.591 2.689 -6.286 41 HA LEU 5 HA LEU 5 -9.062 5.586 -6.091 42 HB2 LEU 5 HB2 LEU 5 -8.026 4.145 -8.162 43 HB3 LEU 5 HB3 LEU 5 -9.727 4.243 -8.610 44 HG LEU 5 HG LEU 5 -8.370 6.013 -9.643 45 HD11 LEU 5 HD11 LEU 5 -9.810 7.887 -8.199 46 HD12 LEU 5 HD12 LEU 5 -10.735 6.396 -8.020 47 HD13 LEU 5 HD13 LEU 5 -10.357 7.010 -9.629 48 HD21 LEU 5 HD21 LEU 5 -6.895 6.118 -7.474 49 HD22 LEU 5 HD22 LEU 5 -8.066 7.348 -6.996 50 HD23 LEU 5 HD23 LEU 5 -7.130 7.549 -8.478 51 H ILE 6 H ILE 6 -11.039 6.265 -5.617 52 HA ILE 6 HA ILE 6 -13.277 4.376 -5.911 53 HB ILE 6 HB ILE 6 -13.056 6.785 -4.102 54 HG12 ILE 6 HG12 ILE 6 -13.398 4.609 -2.490 55 HG13 ILE 6 HG13 ILE 6 -12.415 3.927 -3.780 56 HG21 ILE 6 HG21 ILE 6 -15.144 5.636 -3.094 57 HG22 ILE 6 HG22 ILE 6 -15.323 6.617 -4.547 58 HG23 ILE 6 HG23 ILE 6 -15.272 4.859 -4.671 59 HD11 ILE 6 HD11 ILE 6 -11.608 5.519 -1.580 60 HD12 ILE 6 HD12 ILE 6 -10.615 4.793 -2.844 61 HD13 ILE 6 HD13 ILE 6 -11.277 6.412 -3.063 62 H LEU 7 H LEU 7 -14.589 4.754 -7.559 63 HA LEU 7 HA LEU 7 -14.739 7.450 -8.691 64 HB2 LEU 7 HB2 LEU 7 -15.941 4.945 -9.837 65 HB3 LEU 7 HB3 LEU 7 -15.588 6.460 -10.665 66 HG LEU 7 HG LEU 7 -13.924 5.070 -11.450 67 HD11 LEU 7 HD11 LEU 7 -13.160 7.164 -9.981 68 HD12 LEU 7 HD12 LEU 7 -12.018 6.110 -10.814 69 HD13 LEU 7 HD13 LEU 7 -12.333 5.883 -9.094 70 HD21 LEU 7 HD21 LEU 7 -14.580 3.288 -9.692 71 HD22 LEU 7 HD22 LEU 7 -13.256 3.970 -8.747 72 HD23 LEU 7 HD23 LEU 7 -12.941 3.286 -10.342 73 H ASN 8 H ASN 8 -16.382 8.723 -8.182 74 HA ASN 8 HA ASN 8 -18.891 7.484 -7.262 75 HB2 ASN 8 HB2 ASN 8 -17.511 8.966 -5.664 76 HB3 ASN 8 HB3 ASN 8 -18.067 10.314 -6.651 77 HD21 ASN 8 HD21 ASN 8 -20.496 10.301 -7.035 78 HD22 ASN 8 HD22 ASN 8 -21.480 9.967 -5.654 79 H GLY 9 H GLY 9 -19.195 7.368 -9.710 80 HA2 GLY 9 HA2 GLY 9 -19.697 9.762 -11.164 81 HA3 GLY 9 HA3 GLY 9 -20.186 8.142 -11.637 82 H LYS 10 H LYS 10 -21.841 10.228 -12.178 83 HA LYS 10 HA LYS 10 -23.812 10.515 -10.087 84 HB2 LYS 10 HB2 LYS 10 -23.944 11.369 -12.985 85 HB3 LYS 10 HB3 LYS 10 -25.027 11.886 -11.700 86 HG2 LYS 10 HG2 LYS 10 -22.109 12.370 -11.388 87 HG3 LYS 10 HG3 LYS 10 -23.035 13.395 -12.486 88 HD2 LYS 10 HD2 LYS 10 -23.781 14.577 -10.758 89 HD3 LYS 10 HD3 LYS 10 -24.514 13.124 -10.075 90 HE2 LYS 10 HE2 LYS 10 -22.027 12.659 -9.315 91 HE3 LYS 10 HE3 LYS 10 -21.901 14.411 -9.464 92 HZ1 LYS 10 HZ1 LYS 10 -24.011 14.433 -8.041 93 HZ2 LYS 10 HZ2 LYS 10 -22.543 14.085 -7.276 94 HZ3 LYS 10 HZ3 LYS 10 -23.616 12.834 -7.654 95 H THR 11 H THR 11 -23.545 8.830 -13.186 96 HA THR 11 HA THR 11 -25.997 7.342 -12.504 97 HB THR 11 HB THR 11 -26.484 7.053 -14.815 98 HG1 THR 11 HG1 THR 11 -24.118 8.451 -15.527 99 HG21 THR 11 HG21 THR 11 -26.965 9.247 -15.490 100 HG22 THR 11 HG22 THR 11 -25.520 9.897 -14.716 101 HG23 THR 11 HG23 THR 11 -26.877 9.349 -13.732 102 H LEU 12 H LEU 12 -22.777 7.055 -12.423 103 HA LEU 12 HA LEU 12 -22.904 4.155 -12.760 104 HB2 LEU 12 HB2 LEU 12 -20.523 5.623 -13.813 105 HB3 LEU 12 HB3 LEU 12 -21.070 3.987 -14.171 106 HG LEU 12 HG LEU 12 -23.109 5.368 -15.230 107 HD11 LEU 12 HD11 LEU 12 -22.474 7.396 -16.202 108 HD12 LEU 12 HD12 LEU 12 -20.765 7.133 -15.856 109 HD13 LEU 12 HD13 LEU 12 -21.883 7.503 -14.543 110 HD21 LEU 12 HD21 LEU 12 -21.991 5.093 -17.395 111 HD22 LEU 12 HD22 LEU 12 -21.791 3.673 -16.369 112 HD23 LEU 12 HD23 LEU 12 -20.460 4.815 -16.565 113 H LYS 13 H LYS 13 -21.645 3.021 -11.346 114 HA LYS 13 HA LYS 13 -19.820 4.537 -9.615 115 HB2 LYS 13 HB2 LYS 13 -22.072 2.730 -8.759 116 HB3 LYS 13 HB3 LYS 13 -20.703 3.065 -7.707 117 HG2 LYS 13 HG2 LYS 13 -22.506 5.170 -8.882 118 HG3 LYS 13 HG3 LYS 13 -22.673 4.489 -7.262 119 HD2 LYS 13 HD2 LYS 13 -19.967 5.373 -7.746 120 HD3 LYS 13 HD3 LYS 13 -21.121 6.681 -8.018 121 HE2 LYS 13 HE2 LYS 13 -20.266 6.522 -5.676 122 HE3 LYS 13 HE3 LYS 13 -22.021 6.440 -5.821 123 HZ1 LYS 13 HZ1 LYS 13 -20.796 4.768 -4.310 124 HZ2 LYS 13 HZ2 LYS 13 -20.437 3.960 -5.752 125 HZ3 LYS 13 HZ3 LYS 13 -22.048 4.211 -5.302 126 H GLY 14 H GLY 14 -18.114 3.335 -8.702 127 HA2 GLY 14 HA2 GLY 14 -17.794 0.554 -8.923 128 HA3 GLY 14 HA3 GLY 14 -17.057 1.304 -10.331 129 H GLU 15 H GLU 15 -15.326 -0.039 -8.953 130 HA GLU 15 HA GLU 15 -13.679 2.007 -7.705 131 HB2 GLU 15 HB2 GLU 15 -15.132 0.603 -5.989 132 HB3 GLU 15 HB3 GLU 15 -13.856 -0.582 -6.234 133 HG2 GLU 15 HG2 GLU 15 -12.234 0.775 -5.301 134 HG3 GLU 15 HG3 GLU 15 -13.172 2.245 -5.558 135 H THR 16 H THR 16 -11.493 1.638 -7.899 136 HA THR 16 HA THR 16 -10.612 -0.909 -9.042 137 HB THR 16 HB THR 16 -9.204 1.243 -10.343 138 HG1 THR 16 HG1 THR 16 -10.798 2.420 -11.104 139 HG21 THR 16 HG21 THR 16 -9.293 -1.110 -11.083 140 HG22 THR 16 HG22 THR 16 -9.806 0.006 -12.349 141 HG23 THR 16 HG23 THR 16 -11.007 -0.915 -11.445 142 H THR 17 H THR 17 -8.375 -1.337 -8.789 143 HA THR 17 HA THR 17 -6.850 0.530 -7.129 144 HB THR 17 HB THR 17 -6.246 -1.107 -5.497 145 HG1 THR 17 HG1 THR 17 -7.937 -3.036 -6.688 146 HG21 THR 17 HG21 THR 17 -9.165 -1.673 -5.708 147 HG22 THR 17 HG22 THR 17 -8.641 0.000 -5.521 148 HG23 THR 17 HG23 THR 17 -8.207 -1.201 -4.306 149 H THR 18 H THR 18 -4.616 0.336 -7.303 150 HA THR 18 HA THR 18 -3.530 -1.749 -9.033 151 HB THR 18 HB THR 18 -4.135 0.159 -10.525 152 HG1 THR 18 HG1 THR 18 -2.391 -1.205 -11.083 153 HG21 THR 18 HG21 THR 18 -3.196 2.270 -10.332 154 HG22 THR 18 HG22 THR 18 -1.872 1.700 -9.315 155 HG23 THR 18 HG23 THR 18 -3.497 1.850 -8.647 156 H GLU 19 H GLU 19 -1.350 -2.169 -8.715 157 HA GLU 19 HA GLU 19 -0.193 -0.882 -6.341 158 HB2 GLU 19 HB2 GLU 19 -0.446 -3.259 -6.076 159 HB3 GLU 19 HB3 GLU 19 0.335 -3.565 -7.621 160 HG2 GLU 19 HG2 GLU 19 2.448 -2.875 -6.783 161 HG3 GLU 19 HG3 GLU 19 1.724 -2.260 -5.298 162 H ALA 20 H ALA 20 1.497 0.422 -6.556 163 HA ALA 20 HA ALA 20 3.142 0.205 -8.992 164 HB1 ALA 20 HB1 ALA 20 3.007 2.415 -9.425 165 HB2 ALA 20 HB2 ALA 20 1.491 2.275 -8.535 166 HB3 ALA 20 HB3 ALA 20 2.942 2.857 -7.719 167 H VAL 21 H VAL 21 5.350 0.979 -8.771 168 HA VAL 21 HA VAL 21 6.458 0.234 -6.191 169 HB VAL 21 HB VAL 21 8.657 0.443 -7.347 170 HG11 VAL 21 HG11 VAL 21 8.503 -1.633 -8.308 171 HG12 VAL 21 HG12 VAL 21 7.022 -1.614 -7.350 172 HG13 VAL 21 HG13 VAL 21 6.958 -1.282 -9.081 173 HG21 VAL 21 HG21 VAL 21 7.164 1.926 -9.197 174 HG22 VAL 21 HG22 VAL 21 8.869 1.488 -9.299 175 HG23 VAL 21 HG23 VAL 21 7.648 0.453 -10.037 176 H ASP 22 H ASP 22 5.604 3.074 -7.839 177 HA ASP 22 HA ASP 22 7.035 4.676 -5.839 178 HB2 ASP 22 HB2 ASP 22 7.311 4.812 -8.773 179 HB3 ASP 22 HB3 ASP 22 7.070 6.363 -7.975 180 H ALA 23 H ALA 23 6.026 6.636 -5.272 181 HA ALA 23 HA ALA 23 3.183 6.572 -5.377 182 HB1 ALA 23 HB1 ALA 23 5.196 8.475 -4.247 183 HB2 ALA 23 HB2 ALA 23 3.486 8.906 -4.300 184 HB3 ALA 23 HB3 ALA 23 4.007 7.476 -3.410 185 H ALA 24 H ALA 24 5.657 8.526 -6.976 186 HA ALA 24 HA ALA 24 3.900 10.348 -8.226 187 HB1 ALA 24 HB1 ALA 24 6.017 11.165 -8.297 188 HB2 ALA 24 HB2 ALA 24 6.742 9.576 -8.546 189 HB3 ALA 24 HB3 ALA 24 5.974 10.416 -9.894 190 H THR 25 H THR 25 5.131 7.188 -9.164 191 HA THR 25 HA THR 25 4.069 7.305 -11.827 192 HB THR 25 HB THR 25 5.055 4.935 -10.227 193 HG1 THR 25 HG1 THR 25 6.406 6.186 -12.373 194 HG21 THR 25 HG21 THR 25 5.377 4.111 -12.711 195 HG22 THR 25 HG22 THR 25 4.043 5.224 -13.016 196 HG23 THR 25 HG23 THR 25 3.839 3.894 -11.876 197 H ALA 26 H ALA 26 2.966 6.140 -8.718 198 HA ALA 26 HA ALA 26 0.781 4.600 -9.697 199 HB1 ALA 26 HB1 ALA 26 0.185 5.477 -7.088 200 HB2 ALA 26 HB2 ALA 26 0.834 3.914 -7.589 201 HB3 ALA 26 HB3 ALA 26 1.930 5.227 -7.157 202 H GLU 27 H GLU 27 1.182 7.952 -8.705 203 HA GLU 27 HA GLU 27 -1.557 8.638 -8.637 204 HB2 GLU 27 HB2 GLU 27 0.158 10.029 -7.589 205 HB3 GLU 27 HB3 GLU 27 0.861 10.374 -9.162 206 HG2 GLU 27 HG2 GLU 27 -1.761 11.130 -9.478 207 HG3 GLU 27 HG3 GLU 27 -1.403 11.600 -7.818 208 H LYS 28 H LYS 28 0.905 8.998 -11.177 209 HA LYS 28 HA LYS 28 -0.731 10.204 -13.099 210 HB2 LYS 28 HB2 LYS 28 0.937 9.448 -14.738 211 HB3 LYS 28 HB3 LYS 28 1.699 10.135 -13.309 212 HG2 LYS 28 HG2 LYS 28 2.341 8.009 -12.509 213 HG3 LYS 28 HG3 LYS 28 1.305 7.179 -13.672 214 HD2 LYS 28 HD2 LYS 28 3.221 8.958 -14.948 215 HD3 LYS 28 HD3 LYS 28 3.999 7.709 -13.972 216 HE2 LYS 28 HE2 LYS 28 3.789 6.617 -15.980 217 HE3 LYS 28 HE3 LYS 28 2.290 6.135 -15.186 218 HZ1 LYS 28 HZ1 LYS 28 2.180 8.584 -16.747 219 HZ2 LYS 28 HZ2 LYS 28 1.047 7.337 -16.607 220 HZ3 LYS 28 HZ3 LYS 28 2.381 7.156 -17.631 221 H VAL 29 H VAL 29 -0.363 6.863 -12.156 222 HA VAL 29 HA VAL 29 -1.460 5.572 -14.364 223 HB VAL 29 HB VAL 29 -1.659 4.841 -11.441 224 HG11 VAL 29 HG11 VAL 29 -2.434 3.324 -13.916 225 HG12 VAL 29 HG12 VAL 29 -2.040 2.512 -12.400 226 HG13 VAL 29 HG13 VAL 29 -3.396 3.638 -12.472 227 HG21 VAL 29 HG21 VAL 29 0.037 3.188 -13.085 228 HG22 VAL 29 HG22 VAL 29 0.522 4.881 -13.183 229 HG23 VAL 29 HG23 VAL 29 0.425 4.080 -11.614 230 H PHE 30 H PHE 30 -3.128 6.688 -11.416 231 HA PHE 30 HA PHE 30 -5.721 6.086 -12.453 232 HB2 PHE 30 HB2 PHE 30 -6.560 6.841 -10.412 233 HB3 PHE 30 HB3 PHE 30 -4.951 6.273 -9.979 234 HD1 PHE 30 HD1 PHE 30 -3.464 7.681 -8.890 235 HD2 PHE 30 HD2 PHE 30 -6.834 9.341 -10.892 236 HE1 PHE 30 HE1 PHE 30 -2.941 9.888 -7.935 237 HE2 PHE 30 HE2 PHE 30 -6.315 11.550 -9.941 238 HZ PHE 30 HZ PHE 30 -4.366 11.826 -8.461 239 H LYS 31 H LYS 31 -3.637 8.876 -12.450 240 HA LYS 31 HA LYS 31 -5.577 10.834 -13.078 241 HB2 LYS 31 HB2 LYS 31 -2.710 10.689 -12.822 242 HB3 LYS 31 HB3 LYS 31 -3.139 11.608 -14.259 243 HG2 LYS 31 HG2 LYS 31 -4.189 12.152 -11.490 244 HG3 LYS 31 HG3 LYS 31 -2.857 13.016 -12.261 245 HD2 LYS 31 HD2 LYS 31 -5.488 12.827 -13.661 246 HD3 LYS 31 HD3 LYS 31 -5.292 13.980 -12.339 247 HE2 LYS 31 HE2 LYS 31 -3.043 14.105 -14.128 248 HE3 LYS 31 HE3 LYS 31 -4.549 14.307 -15.022 249 HZ1 LYS 31 HZ1 LYS 31 -3.225 16.176 -13.413 250 HZ2 LYS 31 HZ2 LYS 31 -4.710 15.829 -12.681 251 HZ3 LYS 31 HZ3 LYS 31 -4.663 16.374 -14.282 252 H GLN 32 H GLN 32 -3.358 8.961 -15.134 253 HA GLN 32 HA GLN 32 -4.415 10.036 -17.564 254 HB2 GLN 32 HB2 GLN 32 -2.147 9.289 -17.586 255 HB3 GLN 32 HB3 GLN 32 -2.597 7.703 -16.975 256 HG2 GLN 32 HG2 GLN 32 -4.007 8.217 -19.406 257 HG3 GLN 32 HG3 GLN 32 -2.285 8.511 -19.646 258 HE21 GLN 32 HE21 GLN 32 -3.932 6.194 -17.546 259 HE22 GLN 32 HE22 GLN 32 -3.239 4.783 -18.261 260 H TYR 33 H TYR 33 -4.746 6.933 -15.869 261 HA TYR 33 HA TYR 33 -6.365 5.622 -17.708 262 HB2 TYR 33 HB2 TYR 33 -5.376 4.473 -15.803 263 HB3 TYR 33 HB3 TYR 33 -6.367 5.410 -14.690 264 HD1 TYR 33 HD1 TYR 33 -8.796 4.993 -14.543 265 HD2 TYR 33 HD2 TYR 33 -6.266 2.577 -16.965 266 HE1 TYR 33 HE1 TYR 33 -10.555 3.278 -14.658 267 HE2 TYR 33 HE2 TYR 33 -8.019 0.856 -17.088 268 HH TYR 33 HH TYR 33 -10.110 0.317 -16.566 269 H ALA 34 H ALA 34 -7.271 7.772 -15.040 270 HA ALA 34 HA ALA 34 -10.080 7.525 -15.481 271 HB1 ALA 34 HB1 ALA 34 -8.899 8.224 -13.331 272 HB2 ALA 34 HB2 ALA 34 -8.759 9.821 -14.068 273 HB3 ALA 34 HB3 ALA 34 -10.351 9.118 -13.783 274 H ASN 35 H ASN 35 -7.661 9.991 -16.314 275 HA ASN 35 HA ASN 35 -9.382 11.839 -17.501 276 HB2 ASN 35 HB2 ASN 35 -7.204 12.606 -17.090 277 HB3 ASN 35 HB3 ASN 35 -6.466 11.213 -17.875 278 HD21 ASN 35 HD21 ASN 35 -6.056 11.272 -20.016 279 HD22 ASN 35 HD22 ASN 35 -6.378 12.634 -21.029 280 H ASP 36 H ASP 36 -7.637 9.102 -18.931 281 HA ASP 36 HA ASP 36 -8.374 9.515 -21.594 282 HB2 ASP 36 HB2 ASP 36 -6.648 7.934 -21.096 283 HB3 ASP 36 HB3 ASP 36 -7.728 6.982 -20.081 284 H ASN 37 H ASN 37 -10.162 8.233 -18.910 285 HA ASN 37 HA ASN 37 -12.211 7.004 -20.508 286 HB2 ASN 37 HB2 ASN 37 -11.456 6.548 -18.004 287 HB3 ASN 37 HB3 ASN 37 -12.690 7.757 -17.660 288 HD21 ASN 37 HD21 ASN 37 -12.099 4.528 -18.130 289 HD22 ASN 37 HD22 ASN 37 -13.718 3.992 -18.409 290 H GLY 38 H GLY 38 -11.433 10.159 -19.915 291 HA2 GLY 38 HA2 GLY 38 -12.559 12.091 -20.494 292 HA3 GLY 38 HA3 GLY 38 -13.946 11.103 -20.928 293 H VAL 39 H VAL 39 -12.558 10.757 -17.777 294 HA VAL 39 HA VAL 39 -14.991 11.349 -16.472 295 HB VAL 39 HB VAL 39 -13.293 9.852 -15.506 296 HG11 VAL 39 HG11 VAL 39 -11.479 11.747 -16.178 297 HG12 VAL 39 HG12 VAL 39 -11.650 12.047 -14.447 298 HG13 VAL 39 HG13 VAL 39 -11.178 10.448 -15.024 299 HG21 VAL 39 HG21 VAL 39 -13.889 12.239 -13.759 300 HG22 VAL 39 HG22 VAL 39 -14.990 10.896 -14.068 301 HG23 VAL 39 HG23 VAL 39 -13.479 10.616 -13.203 302 H ASP 40 H ASP 40 -15.839 13.212 -15.814 303 HA ASP 40 HA ASP 40 -14.075 15.559 -15.579 304 HB2 ASP 40 HB2 ASP 40 -15.534 15.506 -17.678 305 HB3 ASP 40 HB3 ASP 40 -16.909 15.714 -16.597 306 H GLY 41 H GLY 41 -14.478 16.953 -13.898 307 HA2 GLY 41 HA2 GLY 41 -16.555 17.541 -12.381 308 HA3 GLY 41 HA3 GLY 41 -16.247 15.905 -11.820 309 H GLU 42 H GLU 42 -15.477 16.179 -9.811 310 HA GLU 42 HA GLU 42 -13.138 17.945 -9.496 311 HB2 GLU 42 HB2 GLU 42 -15.321 18.627 -8.322 312 HB3 GLU 42 HB3 GLU 42 -15.029 17.259 -7.257 313 HG2 GLU 42 HG2 GLU 42 -12.775 18.269 -6.769 314 HG3 GLU 42 HG3 GLU 42 -13.330 19.709 -7.621 315 H TRP 43 H TRP 43 -11.449 17.219 -8.186 316 HA TRP 43 HA TRP 43 -11.453 14.314 -7.725 317 HB2 TRP 43 HB2 TRP 43 -9.291 16.275 -8.417 318 HB3 TRP 43 HB3 TRP 43 -8.881 14.767 -7.606 319 HD1 TRP 43 HD1 TRP 43 -10.018 16.149 -10.960 320 HE1 TRP 43 HE1 TRP 43 -9.881 14.280 -12.725 321 HE3 TRP 43 HE3 TRP 43 -9.058 12.187 -7.875 322 HZ2 TRP 43 HZ2 TRP 43 -9.427 11.495 -12.799 323 HZ3 TRP 43 HZ3 TRP 43 -8.786 9.954 -8.872 324 HH2 TRP 43 HH2 TRP 43 -8.968 9.617 -11.284 325 H THR 44 H THR 44 -10.139 13.554 -5.865 326 HA THR 44 HA THR 44 -10.031 15.459 -3.639 327 HB THR 44 HB THR 44 -11.006 12.777 -2.893 328 HG1 THR 44 HG1 THR 44 -12.688 14.631 -4.262 329 HG21 THR 44 HG21 THR 44 -11.595 15.625 -2.126 330 HG22 THR 44 HG22 THR 44 -10.837 14.360 -1.158 331 HG23 THR 44 HG23 THR 44 -12.559 14.276 -1.527 332 H TYR 45 H TYR 45 -8.465 15.036 -2.107 333 HA TYR 45 HA TYR 45 -6.801 12.649 -2.515 334 HB2 TYR 45 HB2 TYR 45 -4.805 14.183 -2.021 335 HB3 TYR 45 HB3 TYR 45 -5.527 14.289 -3.623 336 HD1 TYR 45 HD1 TYR 45 -4.847 16.039 -0.518 337 HD2 TYR 45 HD2 TYR 45 -6.954 16.229 -4.210 338 HE1 TYR 45 HE1 TYR 45 -5.155 18.460 -0.211 339 HE2 TYR 45 HE2 TYR 45 -7.267 18.650 -3.913 340 HH TYR 45 HH TYR 45 -6.157 20.513 -2.682 341 H ASP 46 H ASP 46 -6.882 11.533 -0.689 342 HA ASP 46 HA ASP 46 -6.966 12.998 1.864 343 HB2 ASP 46 HB2 ASP 46 -7.792 10.135 1.350 344 HB3 ASP 46 HB3 ASP 46 -8.018 11.047 2.840 345 H ASP 47 H ASP 47 -4.852 13.245 2.391 346 HA ASP 47 HA ASP 47 -2.831 11.327 1.934 347 HB2 ASP 47 HB2 ASP 47 -1.408 12.727 3.249 348 HB3 ASP 47 HB3 ASP 47 -2.486 13.791 2.348 349 H ALA 48 H ALA 48 -5.329 11.437 4.212 350 HA ALA 48 HA ALA 48 -4.034 10.123 6.385 351 HB1 ALA 48 HB1 ALA 48 -6.882 9.644 6.264 352 HB2 ALA 48 HB2 ALA 48 -5.940 10.547 7.450 353 HB3 ALA 48 HB3 ALA 48 -6.495 11.340 5.976 354 H THR 49 H THR 49 -6.114 9.012 3.730 355 HA THR 49 HA THR 49 -5.368 6.241 4.398 356 HB THR 49 HB THR 49 -7.368 5.609 2.984 357 HG1 THR 49 HG1 THR 49 -8.942 7.434 2.898 358 HG21 THR 49 HG21 THR 49 -7.513 5.498 5.389 359 HG22 THR 49 HG22 THR 49 -9.014 6.179 4.763 360 HG23 THR 49 HG23 THR 49 -7.803 7.234 5.491 361 H LYS 50 H LYS 50 -4.304 8.567 2.503 362 HA LYS 50 HA LYS 50 -3.306 8.738 0.456 363 HB2 LYS 50 HB2 LYS 50 -2.793 5.780 0.688 364 HB3 LYS 50 HB3 LYS 50 -1.778 7.009 -0.056 365 HG2 LYS 50 HG2 LYS 50 -0.616 6.858 1.851 366 HG3 LYS 50 HG3 LYS 50 -1.876 7.917 2.489 367 HD2 LYS 50 HD2 LYS 50 -3.031 5.481 2.805 368 HD3 LYS 50 HD3 LYS 50 -1.328 5.079 3.035 369 HE2 LYS 50 HE2 LYS 50 -2.233 7.503 4.427 370 HE3 LYS 50 HE3 LYS 50 -2.977 6.006 4.985 371 HZ1 LYS 50 HZ1 LYS 50 -0.449 5.247 4.885 372 HZ2 LYS 50 HZ2 LYS 50 -1.132 5.959 6.259 373 HZ3 LYS 50 HZ3 LYS 50 -0.213 6.894 5.191 374 H THR 51 H THR 51 -6.133 8.181 0.399 375 HA THR 51 HA THR 51 -6.312 6.710 -2.150 376 HB THR 51 HB THR 51 -7.510 5.651 -0.189 377 HG1 THR 51 HG1 THR 51 -8.893 4.899 -1.625 378 HG21 THR 51 HG21 THR 51 -9.292 6.647 0.849 379 HG22 THR 51 HG22 THR 51 -9.677 7.660 -0.542 380 HG23 THR 51 HG23 THR 51 -8.320 8.076 0.504 381 H PHE 52 H PHE 52 -7.342 7.663 -3.842 382 HA PHE 52 HA PHE 52 -8.172 10.454 -3.448 383 HB2 PHE 52 HB2 PHE 52 -7.388 9.058 -6.015 384 HB3 PHE 52 HB3 PHE 52 -7.727 10.775 -5.824 385 HD1 PHE 52 HD1 PHE 52 -6.133 12.251 -4.766 386 HD2 PHE 52 HD2 PHE 52 -5.316 8.099 -5.224 387 HE1 PHE 52 HE1 PHE 52 -3.760 12.665 -4.263 388 HE2 PHE 52 HE2 PHE 52 -2.943 8.506 -4.720 389 HZ PHE 52 HZ PHE 52 -2.162 10.792 -4.238 390 H THR 53 H THR 53 -9.921 11.219 -4.945 391 HA THR 53 HA THR 53 -11.854 9.171 -5.702 392 HB THR 53 HB THR 53 -12.868 11.469 -4.065 393 HG1 THR 53 HG1 THR 53 -12.756 9.990 -2.242 394 HG21 THR 53 HG21 THR 53 -13.864 8.655 -4.530 395 HG22 THR 53 HG22 THR 53 -14.461 10.107 -5.333 396 HG23 THR 53 HG23 THR 53 -14.690 9.902 -3.596 397 H VAL 54 H VAL 54 -13.527 9.950 -7.105 398 HA VAL 54 HA VAL 54 -13.244 12.665 -8.133 399 HB VAL 54 HB VAL 54 -11.710 11.453 -9.547 400 HG11 VAL 54 HG11 VAL 54 -12.244 9.485 -10.745 401 HG12 VAL 54 HG12 VAL 54 -12.782 9.209 -9.087 402 HG13 VAL 54 HG13 VAL 54 -13.956 9.615 -10.340 403 HG21 VAL 54 HG21 VAL 54 -14.297 11.887 -11.036 404 HG22 VAL 54 HG22 VAL 54 -13.176 13.166 -10.571 405 HG23 VAL 54 HG23 VAL 54 -12.669 11.922 -11.713 406 H THR 55 H THR 55 -15.217 13.487 -8.211 407 HA THR 55 HA THR 55 -17.486 11.682 -8.728 408 HB THR 55 HB THR 55 -17.426 14.325 -7.262 409 HG1 THR 55 HG1 THR 55 -17.599 13.115 -5.475 410 HG21 THR 55 HG21 THR 55 -19.721 12.539 -8.051 411 HG22 THR 55 HG22 THR 55 -19.509 14.257 -8.392 412 HG23 THR 55 HG23 THR 55 -19.833 13.718 -6.745 413 H GLU 56 H GLU 56 -18.718 11.991 -10.479 414 HA GLU 56 HA GLU 56 -18.162 14.354 -12.137 415 HB2 GLU 56 HB2 GLU 56 -18.753 13.085 -14.043 416 HB3 GLU 56 HB3 GLU 56 -17.750 12.027 -13.061 417 HG2 GLU 56 HG2 GLU 56 -19.357 10.519 -13.356 418 HG3 GLU 56 HG3 GLU 56 -20.256 11.440 -12.152 Start of MODEL 16 1 H MET 1 H MET 1 2.918 -0.889 -4.678 2 HA MET 1 HA MET 1 1.567 -0.760 -2.282 3 HB2 MET 1 HB2 MET 1 1.624 1.727 -1.844 4 HB3 MET 1 HB3 MET 1 3.088 0.850 -1.420 5 HG2 MET 1 HG2 MET 1 3.337 1.725 -4.105 6 HG3 MET 1 HG3 MET 1 2.791 3.086 -3.129 7 HE1 MET 1 HE1 MET 1 5.729 0.117 -2.741 8 HE2 MET 1 HE2 MET 1 5.377 0.869 -4.297 9 HE3 MET 1 HE3 MET 1 6.861 1.278 -3.435 10 H GLN 2 H GLN 2 -0.361 -1.064 -3.191 11 HA GLN 2 HA GLN 2 -1.090 0.417 -5.596 12 HB2 GLN 2 HB2 GLN 2 -2.858 -1.141 -5.875 13 HB3 GLN 2 HB3 GLN 2 -1.457 -2.075 -5.368 14 HG2 GLN 2 HG2 GLN 2 -2.745 -2.974 -3.811 15 HG3 GLN 2 HG3 GLN 2 -2.724 -1.411 -2.997 16 HE21 GLN 2 HE21 GLN 2 -4.506 -0.084 -3.112 17 HE22 GLN 2 HE22 GLN 2 -6.033 -0.616 -3.719 18 H TYR 3 H TYR 3 -2.939 1.707 -5.756 19 HA TYR 3 HA TYR 3 -3.900 2.745 -3.176 20 HB2 TYR 3 HB2 TYR 3 -4.086 4.851 -4.118 21 HB3 TYR 3 HB3 TYR 3 -2.688 4.216 -4.977 22 HD1 TYR 3 HD1 TYR 3 -5.104 6.324 -5.604 23 HD2 TYR 3 HD2 TYR 3 -3.943 2.468 -6.979 24 HE1 TYR 3 HE1 TYR 3 -6.232 6.755 -7.747 25 HE2 TYR 3 HE2 TYR 3 -5.067 2.889 -9.126 26 HH TYR 3 HH TYR 3 -7.005 4.403 -9.922 27 H LYS 4 H LYS 4 -6.153 3.540 -3.144 28 HA LYS 4 HA LYS 4 -7.903 1.863 -4.823 29 HB2 LYS 4 HB2 LYS 4 -7.945 1.040 -2.554 30 HB3 LYS 4 HB3 LYS 4 -8.222 2.659 -1.925 31 HG2 LYS 4 HG2 LYS 4 -10.428 2.621 -2.411 32 HG3 LYS 4 HG3 LYS 4 -10.205 1.643 -3.864 33 HD2 LYS 4 HD2 LYS 4 -9.834 0.516 -1.101 34 HD3 LYS 4 HD3 LYS 4 -11.409 0.552 -1.897 35 HE2 LYS 4 HE2 LYS 4 -10.725 -0.916 -3.575 36 HE3 LYS 4 HE3 LYS 4 -9.015 -0.622 -3.266 37 HZ1 LYS 4 HZ1 LYS 4 -9.305 -1.752 -1.107 38 HZ2 LYS 4 HZ2 LYS 4 -9.600 -2.767 -2.427 39 HZ3 LYS 4 HZ3 LYS 4 -10.895 -2.137 -1.539 40 H LEU 5 H LEU 5 -8.853 3.134 -6.276 41 HA LEU 5 HA LEU 5 -9.601 5.866 -5.529 42 HB2 LEU 5 HB2 LEU 5 -8.266 5.268 -7.636 43 HB3 LEU 5 HB3 LEU 5 -9.797 4.674 -8.276 44 HG LEU 5 HG LEU 5 -9.936 7.403 -7.229 45 HD11 LEU 5 HD11 LEU 5 -7.848 7.889 -8.039 46 HD12 LEU 5 HD12 LEU 5 -8.828 8.164 -9.479 47 HD13 LEU 5 HD13 LEU 5 -7.928 6.657 -9.299 48 HD21 LEU 5 HD21 LEU 5 -11.487 5.887 -8.791 49 HD22 LEU 5 HD22 LEU 5 -10.543 6.703 -10.038 50 HD23 LEU 5 HD23 LEU 5 -11.473 7.648 -8.874 51 H ILE 6 H ILE 6 -11.665 6.509 -5.332 52 HA ILE 6 HA ILE 6 -13.756 4.503 -5.849 53 HB ILE 6 HB ILE 6 -13.810 6.853 -3.952 54 HG12 ILE 6 HG12 ILE 6 -14.139 4.655 -2.409 55 HG13 ILE 6 HG13 ILE 6 -13.102 3.991 -3.667 56 HG21 ILE 6 HG21 ILE 6 -15.860 5.028 -3.367 57 HG22 ILE 6 HG22 ILE 6 -16.020 6.664 -4.005 58 HG23 ILE 6 HG23 ILE 6 -15.918 5.293 -5.110 59 HD11 ILE 6 HD11 ILE 6 -12.111 6.536 -2.764 60 HD12 ILE 6 HD12 ILE 6 -12.320 5.417 -1.416 61 HD13 ILE 6 HD13 ILE 6 -11.317 4.961 -2.793 62 H LEU 7 H LEU 7 -15.359 4.932 -7.243 63 HA LEU 7 HA LEU 7 -15.349 7.557 -8.553 64 HB2 LEU 7 HB2 LEU 7 -16.730 5.057 -9.495 65 HB3 LEU 7 HB3 LEU 7 -16.390 6.517 -10.422 66 HG LEU 7 HG LEU 7 -14.196 4.763 -9.351 67 HD11 LEU 7 HD11 LEU 7 -14.308 3.333 -11.100 68 HD12 LEU 7 HD12 LEU 7 -14.992 4.540 -12.189 69 HD13 LEU 7 HD13 LEU 7 -16.024 3.735 -11.007 70 HD21 LEU 7 HD21 LEU 7 -13.583 7.022 -10.045 71 HD22 LEU 7 HD22 LEU 7 -14.329 6.748 -11.620 72 HD23 LEU 7 HD23 LEU 7 -12.910 5.815 -11.141 73 H ASN 8 H ASN 8 -16.938 8.951 -8.183 74 HA ASN 8 HA ASN 8 -19.467 7.927 -7.068 75 HB2 ASN 8 HB2 ASN 8 -17.846 9.440 -5.642 76 HB3 ASN 8 HB3 ASN 8 -18.570 10.741 -6.583 77 HD21 ASN 8 HD21 ASN 8 -21.084 10.389 -6.753 78 HD22 ASN 8 HD22 ASN 8 -21.861 10.139 -5.230 79 H GLY 9 H GLY 9 -19.895 7.746 -9.479 80 HA2 GLY 9 HA2 GLY 9 -20.377 10.233 -10.877 81 HA3 GLY 9 HA3 GLY 9 -20.701 8.614 -11.480 82 H LYS 10 H LYS 10 -22.494 10.637 -11.928 83 HA LYS 10 HA LYS 10 -24.580 10.548 -9.930 84 HB2 LYS 10 HB2 LYS 10 -24.825 11.660 -12.720 85 HB3 LYS 10 HB3 LYS 10 -25.751 12.101 -11.291 86 HG2 LYS 10 HG2 LYS 10 -22.820 12.650 -11.717 87 HG3 LYS 10 HG3 LYS 10 -24.129 13.822 -11.896 88 HD2 LYS 10 HD2 LYS 10 -23.629 14.316 -9.753 89 HD3 LYS 10 HD3 LYS 10 -24.630 12.905 -9.405 90 HE2 LYS 10 HE2 LYS 10 -22.890 11.763 -8.606 91 HE3 LYS 10 HE3 LYS 10 -21.897 12.162 -10.007 92 HZ1 LYS 10 HZ1 LYS 10 -21.670 13.158 -7.424 93 HZ2 LYS 10 HZ2 LYS 10 -22.193 14.446 -8.387 94 HZ3 LYS 10 HZ3 LYS 10 -20.778 13.611 -8.788 95 H THR 11 H THR 11 -24.039 9.267 -13.185 96 HA THR 11 HA THR 11 -26.383 7.519 -12.803 97 HB THR 11 HB THR 11 -26.679 9.100 -14.673 98 HG1 THR 11 HG1 THR 11 -27.397 7.537 -16.074 99 HG21 THR 11 HG21 THR 11 -25.266 9.210 -16.524 100 HG22 THR 11 HG22 THR 11 -24.495 7.668 -16.149 101 HG23 THR 11 HG23 THR 11 -24.141 9.093 -15.172 102 H LEU 12 H LEU 12 -23.302 7.333 -12.313 103 HA LEU 12 HA LEU 12 -23.133 4.543 -13.018 104 HB2 LEU 12 HB2 LEU 12 -20.682 5.333 -13.942 105 HB3 LEU 12 HB3 LEU 12 -22.058 4.868 -14.940 106 HG LEU 12 HG LEU 12 -22.690 7.270 -15.086 107 HD11 LEU 12 HD11 LEU 12 -20.315 7.509 -13.327 108 HD12 LEU 12 HD12 LEU 12 -21.810 8.443 -13.349 109 HD13 LEU 12 HD13 LEU 12 -20.559 8.754 -14.552 110 HD21 LEU 12 HD21 LEU 12 -20.426 5.944 -16.293 111 HD22 LEU 12 HD22 LEU 12 -20.196 7.693 -16.246 112 HD23 LEU 12 HD23 LEU 12 -21.627 7.011 -17.022 113 H LYS 13 H LYS 13 -21.677 3.415 -11.759 114 HA LYS 13 HA LYS 13 -19.940 4.931 -9.958 115 HB2 LYS 13 HB2 LYS 13 -21.998 2.910 -9.053 116 HB3 LYS 13 HB3 LYS 13 -20.721 3.552 -8.029 117 HG2 LYS 13 HG2 LYS 13 -22.814 5.251 -9.366 118 HG3 LYS 13 HG3 LYS 13 -22.945 4.627 -7.720 119 HD2 LYS 13 HD2 LYS 13 -20.408 5.823 -7.910 120 HD3 LYS 13 HD3 LYS 13 -21.537 6.937 -8.683 121 HE2 LYS 13 HE2 LYS 13 -21.678 5.817 -5.890 122 HE3 LYS 13 HE3 LYS 13 -21.416 7.496 -6.361 123 HZ1 LYS 13 HZ1 LYS 13 -23.630 7.523 -5.871 124 HZ2 LYS 13 HZ2 LYS 13 -23.894 5.928 -6.371 125 HZ3 LYS 13 HZ3 LYS 13 -23.715 7.156 -7.521 126 H GLY 14 H GLY 14 -18.206 3.720 -9.075 127 HA2 GLY 14 HA2 GLY 14 -17.818 0.963 -9.444 128 HA3 GLY 14 HA3 GLY 14 -17.095 1.807 -10.805 129 H GLU 15 H GLU 15 -15.342 0.427 -9.482 130 HA GLU 15 HA GLU 15 -13.867 2.431 -7.926 131 HB2 GLU 15 HB2 GLU 15 -14.969 0.724 -6.425 132 HB3 GLU 15 HB3 GLU 15 -13.949 -0.493 -7.179 133 HG2 GLU 15 HG2 GLU 15 -12.513 -0.056 -5.541 134 HG3 GLU 15 HG3 GLU 15 -12.128 1.406 -6.448 135 H THR 16 H THR 16 -11.772 2.621 -8.464 136 HA THR 16 HA THR 16 -10.611 0.558 -10.221 137 HB THR 16 HB THR 16 -9.251 2.579 -11.155 138 HG1 THR 16 HG1 THR 16 -10.905 4.423 -11.175 139 HG21 THR 16 HG21 THR 16 -11.080 1.138 -12.270 140 HG22 THR 16 HG22 THR 16 -10.703 2.708 -12.981 141 HG23 THR 16 HG23 THR 16 -12.138 2.518 -11.974 142 H THR 17 H THR 17 -8.620 -0.156 -9.713 143 HA THR 17 HA THR 17 -6.977 1.376 -7.837 144 HB THR 17 HB THR 17 -6.578 -0.474 -6.376 145 HG1 THR 17 HG1 THR 17 -6.802 -2.428 -7.134 146 HG21 THR 17 HG21 THR 17 -8.564 -0.474 -5.231 147 HG22 THR 17 HG22 THR 17 -9.528 -0.731 -6.685 148 HG23 THR 17 HG23 THR 17 -8.860 0.864 -6.340 149 H THR 18 H THR 18 -4.765 0.972 -7.973 150 HA THR 18 HA THR 18 -3.835 -1.007 -9.908 151 HB THR 18 HB THR 18 -4.208 1.201 -11.105 152 HG1 THR 18 HG1 THR 18 -2.504 -0.573 -11.522 153 HG21 THR 18 HG21 THR 18 -3.180 3.091 -10.467 154 HG22 THR 18 HG22 THR 18 -1.657 2.260 -10.151 155 HG23 THR 18 HG23 THR 18 -2.925 2.274 -8.926 156 H GLU 19 H GLU 19 -1.689 -1.646 -9.626 157 HA GLU 19 HA GLU 19 -0.537 -0.859 -7.045 158 HB2 GLU 19 HB2 GLU 19 0.797 -2.950 -7.263 159 HB3 GLU 19 HB3 GLU 19 -0.939 -3.223 -7.228 160 HG2 GLU 19 HG2 GLU 19 -0.185 -2.914 -9.934 161 HG3 GLU 19 HG3 GLU 19 0.956 -4.028 -9.183 162 H ALA 20 H ALA 20 1.153 0.453 -7.020 163 HA ALA 20 HA ALA 20 2.929 0.511 -9.372 164 HB1 ALA 20 HB1 ALA 20 3.160 2.987 -8.093 165 HB2 ALA 20 HB2 ALA 20 2.386 2.648 -9.641 166 HB3 ALA 20 HB3 ALA 20 1.431 2.645 -8.159 167 H VAL 21 H VAL 21 5.131 0.704 -9.008 168 HA VAL 21 HA VAL 21 6.007 -0.123 -6.363 169 HB VAL 21 HB VAL 21 7.673 0.264 -8.851 170 HG11 VAL 21 HG11 VAL 21 8.243 -0.558 -6.106 171 HG12 VAL 21 HG12 VAL 21 8.857 -1.674 -7.327 172 HG13 VAL 21 HG13 VAL 21 9.331 0.025 -7.365 173 HG21 VAL 21 HG21 VAL 21 5.917 -1.371 -9.263 174 HG22 VAL 21 HG22 VAL 21 7.488 -2.164 -9.149 175 HG23 VAL 21 HG23 VAL 21 6.362 -2.240 -7.794 176 H ASP 22 H ASP 22 6.100 2.674 -8.429 177 HA ASP 22 HA ASP 22 7.699 4.087 -6.395 178 HB2 ASP 22 HB2 ASP 22 7.485 4.813 -9.322 179 HB3 ASP 22 HB3 ASP 22 8.556 5.534 -8.123 180 H ALA 23 H ALA 23 7.083 6.200 -5.837 181 HA ALA 23 HA ALA 23 4.268 6.653 -5.843 182 HB1 ALA 23 HB1 ALA 23 5.353 7.369 -3.907 183 HB2 ALA 23 HB2 ALA 23 6.621 8.198 -4.811 184 HB3 ALA 23 HB3 ALA 23 4.990 8.867 -4.764 185 H ALA 24 H ALA 24 7.004 8.037 -7.582 186 HA ALA 24 HA ALA 24 5.658 10.212 -8.753 187 HB1 ALA 24 HB1 ALA 24 8.244 9.089 -8.860 188 HB2 ALA 24 HB2 ALA 24 7.671 9.232 -10.522 189 HB3 ALA 24 HB3 ALA 24 7.707 10.652 -9.477 190 H THR 25 H THR 25 6.079 6.862 -9.791 191 HA THR 25 HA THR 25 4.787 7.258 -12.321 192 HB THR 25 HB THR 25 5.395 4.685 -10.851 193 HG1 THR 25 HG1 THR 25 6.812 6.118 -12.868 194 HG21 THR 25 HG21 THR 25 3.647 4.394 -12.536 195 HG22 THR 25 HG22 THR 25 5.148 3.623 -13.050 196 HG23 THR 25 HG23 THR 25 4.669 5.173 -13.742 197 H ALA 26 H ALA 26 3.804 6.241 -9.117 198 HA ALA 26 HA ALA 26 1.314 5.115 -9.751 199 HB1 ALA 26 HB1 ALA 26 1.543 6.620 -7.215 200 HB2 ALA 26 HB2 ALA 26 0.983 4.974 -7.514 201 HB3 ALA 26 HB3 ALA 26 2.711 5.326 -7.483 202 H GLU 27 H GLU 27 2.207 8.451 -8.919 203 HA GLU 27 HA GLU 27 -0.328 9.578 -8.869 204 HB2 GLU 27 HB2 GLU 27 1.554 10.862 -8.134 205 HB3 GLU 27 HB3 GLU 27 2.324 10.747 -9.710 206 HG2 GLU 27 HG2 GLU 27 1.295 12.570 -10.423 207 HG3 GLU 27 HG3 GLU 27 -0.281 11.934 -9.953 208 H LYS 28 H LYS 28 1.849 9.088 -11.623 209 HA LYS 28 HA LYS 28 0.184 10.330 -13.545 210 HB2 LYS 28 HB2 LYS 28 2.282 8.190 -13.950 211 HB3 LYS 28 HB3 LYS 28 1.603 9.216 -15.207 212 HG2 LYS 28 HG2 LYS 28 2.650 11.142 -14.340 213 HG3 LYS 28 HG3 LYS 28 3.062 10.327 -12.829 214 HD2 LYS 28 HD2 LYS 28 4.584 8.844 -14.050 215 HD3 LYS 28 HD3 LYS 28 4.173 9.666 -15.557 216 HE2 LYS 28 HE2 LYS 28 5.050 11.441 -13.391 217 HE3 LYS 28 HE3 LYS 28 6.278 10.307 -13.953 218 HZ1 LYS 28 HZ1 LYS 28 5.137 12.597 -15.289 219 HZ2 LYS 28 HZ2 LYS 28 5.261 11.221 -16.263 220 HZ3 LYS 28 HZ3 LYS 28 6.639 11.851 -15.511 221 H VAL 29 H VAL 29 0.462 7.016 -12.377 222 HA VAL 29 HA VAL 29 -1.203 5.805 -14.306 223 HB VAL 29 HB VAL 29 -0.654 4.962 -11.457 224 HG11 VAL 29 HG11 VAL 29 -1.354 2.720 -12.219 225 HG12 VAL 29 HG12 VAL 29 -2.668 3.897 -12.266 226 HG13 VAL 29 HG13 VAL 29 -1.854 3.424 -13.757 227 HG21 VAL 29 HG21 VAL 29 0.622 3.311 -13.368 228 HG22 VAL 29 HG22 VAL 29 0.979 4.985 -13.792 229 HG23 VAL 29 HG23 VAL 29 1.364 4.382 -12.180 230 H PHE 30 H PHE 30 -1.875 7.388 -11.235 231 HA PHE 30 HA PHE 30 -4.573 6.608 -10.995 232 HB2 PHE 30 HB2 PHE 30 -3.349 9.176 -9.976 233 HB3 PHE 30 HB3 PHE 30 -4.770 8.350 -9.344 234 HD1 PHE 30 HD1 PHE 30 -2.269 9.205 -7.813 235 HD2 PHE 30 HD2 PHE 30 -3.405 5.541 -9.658 236 HE1 PHE 30 HE1 PHE 30 -0.842 7.970 -6.233 237 HE2 PHE 30 HE2 PHE 30 -1.981 4.301 -8.081 238 HZ PHE 30 HZ PHE 30 -0.698 5.515 -6.365 239 H LYS 31 H LYS 31 -3.122 9.595 -12.278 240 HA LYS 31 HA LYS 31 -5.604 10.694 -13.132 241 HB2 LYS 31 HB2 LYS 31 -3.478 11.977 -12.634 242 HB3 LYS 31 HB3 LYS 31 -2.863 11.405 -14.180 243 HG2 LYS 31 HG2 LYS 31 -3.763 13.660 -14.354 244 HG3 LYS 31 HG3 LYS 31 -4.686 12.523 -15.339 245 HD2 LYS 31 HD2 LYS 31 -5.753 12.739 -12.653 246 HD3 LYS 31 HD3 LYS 31 -5.702 14.305 -13.467 247 HE2 LYS 31 HE2 LYS 31 -6.824 13.196 -15.427 248 HE3 LYS 31 HE3 LYS 31 -7.055 11.781 -14.401 249 HZ1 LYS 31 HZ1 LYS 31 -8.444 14.316 -14.389 250 HZ2 LYS 31 HZ2 LYS 31 -8.026 13.742 -12.854 251 HZ3 LYS 31 HZ3 LYS 31 -8.971 12.789 -13.884 252 H GLN 32 H GLN 32 -3.124 8.735 -14.669 253 HA GLN 32 HA GLN 32 -4.098 8.995 -17.320 254 HB2 GLN 32 HB2 GLN 32 -1.835 8.272 -16.976 255 HB3 GLN 32 HB3 GLN 32 -2.363 6.904 -16.004 256 HG2 GLN 32 HG2 GLN 32 -3.616 6.758 -18.558 257 HG3 GLN 32 HG3 GLN 32 -1.884 7.001 -18.778 258 HE21 GLN 32 HE21 GLN 32 -3.671 5.278 -16.258 259 HE22 GLN 32 HE22 GLN 32 -2.931 3.742 -16.537 260 H TYR 33 H TYR 33 -4.540 6.500 -14.829 261 HA TYR 33 HA TYR 33 -6.197 4.821 -16.374 262 HB2 TYR 33 HB2 TYR 33 -4.971 4.305 -14.168 263 HB3 TYR 33 HB3 TYR 33 -6.362 5.037 -13.376 264 HD1 TYR 33 HD1 TYR 33 -7.540 3.318 -12.361 265 HD2 TYR 33 HD2 TYR 33 -6.152 2.789 -16.348 266 HE1 TYR 33 HE1 TYR 33 -8.743 1.176 -12.489 267 HE2 TYR 33 HE2 TYR 33 -7.352 0.646 -16.487 268 HH TYR 33 HH TYR 33 -8.261 -1.107 -14.166 269 H ALA 34 H ALA 34 -6.892 7.508 -14.197 270 HA ALA 34 HA ALA 34 -9.728 7.185 -14.281 271 HB1 ALA 34 HB1 ALA 34 -8.480 9.813 -13.645 272 HB2 ALA 34 HB2 ALA 34 -9.841 8.993 -12.878 273 HB3 ALA 34 HB3 ALA 34 -8.193 8.448 -12.564 274 H ASN 35 H ASN 35 -7.447 9.382 -15.897 275 HA ASN 35 HA ASN 35 -9.404 10.789 -17.373 276 HB2 ASN 35 HB2 ASN 35 -7.271 11.817 -17.098 277 HB3 ASN 35 HB3 ASN 35 -6.434 10.418 -17.766 278 HD21 ASN 35 HD21 ASN 35 -6.478 10.062 -19.994 279 HD22 ASN 35 HD22 ASN 35 -6.888 11.320 -21.106 280 H ASP 36 H ASP 36 -7.618 7.836 -17.964 281 HA ASP 36 HA ASP 36 -8.055 7.540 -20.701 282 HB2 ASP 36 HB2 ASP 36 -6.529 6.085 -19.500 283 HB3 ASP 36 HB3 ASP 36 -7.856 5.428 -18.545 284 H ASN 37 H ASN 37 -10.248 7.320 -18.066 285 HA ASN 37 HA ASN 37 -12.246 5.916 -19.678 286 HB2 ASN 37 HB2 ASN 37 -11.625 5.823 -16.968 287 HB3 ASN 37 HB3 ASN 37 -13.117 6.756 -17.030 288 HD21 ASN 37 HD21 ASN 37 -11.629 3.749 -18.114 289 HD22 ASN 37 HD22 ASN 37 -13.089 2.826 -18.138 290 H GLY 38 H GLY 38 -11.253 9.035 -19.070 291 HA2 GLY 38 HA2 GLY 38 -12.175 11.017 -19.841 292 HA3 GLY 38 HA3 GLY 38 -13.621 10.128 -20.298 293 H VAL 39 H VAL 39 -12.390 9.849 -17.069 294 HA VAL 39 HA VAL 39 -14.824 10.674 -15.904 295 HB VAL 39 HB VAL 39 -13.230 9.129 -14.806 296 HG11 VAL 39 HG11 VAL 39 -11.329 10.988 -15.417 297 HG12 VAL 39 HG12 VAL 39 -11.576 11.273 -13.693 298 HG13 VAL 39 HG13 VAL 39 -11.122 9.668 -14.267 299 HG21 VAL 39 HG21 VAL 39 -13.480 10.047 -12.536 300 HG22 VAL 39 HG22 VAL 39 -13.916 11.609 -13.229 301 HG23 VAL 39 HG23 VAL 39 -14.957 10.209 -13.486 302 H ASP 40 H ASP 40 -15.580 12.632 -15.459 303 HA ASP 40 HA ASP 40 -13.674 14.860 -15.198 304 HB2 ASP 40 HB2 ASP 40 -14.919 14.779 -17.428 305 HB3 ASP 40 HB3 ASP 40 -16.375 15.149 -16.508 306 H GLY 41 H GLY 41 -14.132 16.385 -13.648 307 HA2 GLY 41 HA2 GLY 41 -16.291 17.218 -12.387 308 HA3 GLY 41 HA3 GLY 41 -16.175 15.601 -11.709 309 H GLU 42 H GLU 42 -15.677 16.071 -9.628 310 HA GLU 42 HA GLU 42 -13.371 17.818 -9.124 311 HB2 GLU 42 HB2 GLU 42 -15.652 18.159 -7.979 312 HB3 GLU 42 HB3 GLU 42 -15.237 16.743 -7.024 313 HG2 GLU 42 HG2 GLU 42 -13.280 17.848 -6.155 314 HG3 GLU 42 HG3 GLU 42 -13.570 19.242 -7.193 315 H TRP 43 H TRP 43 -11.660 17.149 -7.806 316 HA TRP 43 HA TRP 43 -11.442 14.227 -7.484 317 HB2 TRP 43 HB2 TRP 43 -9.479 16.297 -8.371 318 HB3 TRP 43 HB3 TRP 43 -8.879 14.895 -7.489 319 HD1 TRP 43 HD1 TRP 43 -10.464 15.883 -10.823 320 HE1 TRP 43 HE1 TRP 43 -10.200 13.927 -12.474 321 HE3 TRP 43 HE3 TRP 43 -8.642 12.349 -7.609 322 HZ2 TRP 43 HZ2 TRP 43 -9.334 11.241 -12.422 323 HZ3 TRP 43 HZ3 TRP 43 -8.121 10.111 -8.490 324 HH2 TRP 43 HH2 TRP 43 -8.461 9.570 -10.846 325 H THR 44 H THR 44 -10.850 13.407 -5.543 326 HA THR 44 HA THR 44 -10.413 15.345 -3.366 327 HB THR 44 HB THR 44 -11.283 12.598 -2.679 328 HG1 THR 44 HG1 THR 44 -13.453 13.088 -3.214 329 HG21 THR 44 HG21 THR 44 -12.785 13.998 -1.161 330 HG22 THR 44 HG22 THR 44 -11.870 15.393 -1.732 331 HG23 THR 44 HG23 THR 44 -11.049 14.092 -0.871 332 H TYR 45 H TYR 45 -8.798 14.980 -1.872 333 HA TYR 45 HA TYR 45 -7.065 12.649 -2.293 334 HB2 TYR 45 HB2 TYR 45 -5.097 14.251 -1.922 335 HB3 TYR 45 HB3 TYR 45 -5.880 14.288 -3.498 336 HD1 TYR 45 HD1 TYR 45 -5.136 16.150 -0.474 337 HD2 TYR 45 HD2 TYR 45 -7.381 16.170 -4.088 338 HE1 TYR 45 HE1 TYR 45 -5.500 18.570 -0.228 339 HE2 TYR 45 HE2 TYR 45 -7.751 18.590 -3.852 340 HH TYR 45 HH TYR 45 -7.570 20.234 -1.270 341 H ASP 46 H ASP 46 -7.036 11.590 -0.432 342 HA ASP 46 HA ASP 46 -6.988 13.143 2.073 343 HB2 ASP 46 HB2 ASP 46 -8.009 10.320 1.700 344 HB3 ASP 46 HB3 ASP 46 -8.104 11.291 3.166 345 H ASP 47 H ASP 47 -4.834 13.278 2.475 346 HA ASP 47 HA ASP 47 -2.968 11.210 2.001 347 HB2 ASP 47 HB2 ASP 47 -1.438 12.562 3.403 348 HB3 ASP 47 HB3 ASP 47 -2.253 13.527 2.176 349 H ALA 48 H ALA 48 -5.324 11.582 4.391 350 HA ALA 48 HA ALA 48 -4.002 10.312 6.569 351 HB1 ALA 48 HB1 ALA 48 -5.860 10.806 7.703 352 HB2 ALA 48 HB2 ALA 48 -6.374 11.662 6.249 353 HB3 ALA 48 HB3 ALA 48 -6.896 10.000 6.525 354 H THR 49 H THR 49 -6.246 9.166 4.067 355 HA THR 49 HA THR 49 -5.599 6.401 4.851 356 HB THR 49 HB THR 49 -7.682 5.782 3.580 357 HG1 THR 49 HG1 THR 49 -9.165 7.701 3.428 358 HG21 THR 49 HG21 THR 49 -7.992 7.642 5.939 359 HG22 THR 49 HG22 THR 49 -7.712 5.902 6.004 360 HG23 THR 49 HG23 THR 49 -9.228 6.528 5.358 361 H LYS 50 H LYS 50 -4.626 8.627 2.728 362 HA LYS 50 HA LYS 50 -3.732 8.639 0.628 363 HB2 LYS 50 HB2 LYS 50 -3.165 5.716 1.084 364 HB3 LYS 50 HB3 LYS 50 -2.212 6.881 0.174 365 HG2 LYS 50 HG2 LYS 50 -2.607 6.938 3.159 366 HG3 LYS 50 HG3 LYS 50 -1.197 6.272 2.333 367 HD2 LYS 50 HD2 LYS 50 -0.851 8.522 1.291 368 HD3 LYS 50 HD3 LYS 50 -2.138 9.137 2.330 369 HE2 LYS 50 HE2 LYS 50 0.047 9.590 3.301 370 HE3 LYS 50 HE3 LYS 50 -0.861 8.461 4.306 371 HZ1 LYS 50 HZ1 LYS 50 1.588 7.965 3.813 372 HZ2 LYS 50 HZ2 LYS 50 1.049 7.475 2.287 373 HZ3 LYS 50 HZ3 LYS 50 0.476 6.698 3.675 374 H THR 51 H THR 51 -6.433 8.391 0.473 375 HA THR 51 HA THR 51 -6.780 6.514 -1.772 376 HB THR 51 HB THR 51 -8.030 5.801 0.282 377 HG1 THR 51 HG1 THR 51 -9.197 4.959 -1.265 378 HG21 THR 51 HG21 THR 51 -9.723 7.056 1.224 379 HG22 THR 51 HG22 THR 51 -9.960 8.023 -0.232 380 HG23 THR 51 HG23 THR 51 -8.562 8.314 0.803 381 H PHE 52 H PHE 52 -7.751 7.289 -3.584 382 HA PHE 52 HA PHE 52 -8.373 10.161 -3.597 383 HB2 PHE 52 HB2 PHE 52 -7.497 8.279 -5.788 384 HB3 PHE 52 HB3 PHE 52 -8.096 9.902 -6.112 385 HD1 PHE 52 HD1 PHE 52 -5.506 8.081 -4.163 386 HD2 PHE 52 HD2 PHE 52 -6.632 11.694 -6.111 387 HE1 PHE 52 HE1 PHE 52 -3.246 8.981 -3.793 388 HE2 PHE 52 HE2 PHE 52 -4.374 12.599 -5.745 389 HZ PHE 52 HZ PHE 52 -2.677 11.242 -4.586 390 H THR 53 H THR 53 -10.180 10.915 -4.840 391 HA THR 53 HA THR 53 -12.199 8.943 -5.576 392 HB THR 53 HB THR 53 -12.961 11.213 -3.744 393 HG1 THR 53 HG1 THR 53 -11.551 9.773 -2.627 394 HG21 THR 53 HG21 THR 53 -14.820 10.378 -4.968 395 HG22 THR 53 HG22 THR 53 -14.928 9.672 -3.356 396 HG23 THR 53 HG23 THR 53 -14.329 8.705 -4.703 397 H VAL 54 H VAL 54 -13.898 9.803 -6.892 398 HA VAL 54 HA VAL 54 -13.475 12.519 -7.915 399 HB VAL 54 HB VAL 54 -12.269 10.998 -9.431 400 HG11 VAL 54 HG11 VAL 54 -13.990 9.107 -8.925 401 HG12 VAL 54 HG12 VAL 54 -14.864 9.797 -10.294 402 HG13 VAL 54 HG13 VAL 54 -13.220 9.195 -10.509 403 HG21 VAL 54 HG21 VAL 54 -12.866 12.210 -11.227 404 HG22 VAL 54 HG22 VAL 54 -14.557 11.721 -11.123 405 HG23 VAL 54 HG23 VAL 54 -13.952 13.025 -10.101 406 H THR 55 H THR 55 -15.318 13.606 -8.194 407 HA THR 55 HA THR 55 -17.840 12.087 -8.093 408 HB THR 55 HB THR 55 -18.898 14.090 -7.184 409 HG1 THR 55 HG1 THR 55 -17.621 15.704 -8.112 410 HG21 THR 55 HG21 THR 55 -17.930 14.053 -5.000 411 HG22 THR 55 HG22 THR 55 -16.367 13.540 -5.638 412 HG23 THR 55 HG23 THR 55 -17.742 12.437 -5.681 413 H GLU 56 H GLU 56 -18.986 12.029 -9.903 414 HA GLU 56 HA GLU 56 -18.546 14.127 -11.917 415 HB2 GLU 56 HB2 GLU 56 -19.858 11.484 -12.479 416 HB3 GLU 56 HB3 GLU 56 -19.053 12.573 -13.600 417 HG2 GLU 56 HG2 GLU 56 -16.901 12.038 -12.491 418 HG3 GLU 56 HG3 GLU 56 -17.752 10.848 -11.508 Start of MODEL 17 1 H MET 1 H MET 1 2.176 1.579 0.756 2 HA MET 1 HA MET 1 2.763 2.522 -1.303 3 HB2 MET 1 HB2 MET 1 3.753 0.730 -2.695 4 HB3 MET 1 HB3 MET 1 4.170 0.576 -0.993 5 HG2 MET 1 HG2 MET 1 2.242 -1.069 -0.829 6 HG3 MET 1 HG3 MET 1 2.237 -1.064 -2.591 7 HE1 MET 1 HE1 MET 1 5.489 -2.356 -3.688 8 HE2 MET 1 HE2 MET 1 4.624 -0.820 -3.645 9 HE3 MET 1 HE3 MET 1 6.067 -1.048 -2.655 10 H GLN 2 H GLN 2 0.344 -0.037 -1.641 11 HA GLN 2 HA GLN 2 -0.508 1.128 -4.195 12 HB2 GLN 2 HB2 GLN 2 -1.745 -0.938 -4.549 13 HB3 GLN 2 HB3 GLN 2 -0.064 -1.292 -4.171 14 HG2 GLN 2 HG2 GLN 2 -0.711 -2.619 -2.532 15 HG3 GLN 2 HG3 GLN 2 -1.496 -1.258 -1.734 16 HE21 GLN 2 HE21 GLN 2 -3.698 -0.729 -2.539 17 HE22 GLN 2 HE22 GLN 2 -4.738 -2.045 -2.951 18 H TYR 3 H TYR 3 -2.481 2.038 -4.474 19 HA TYR 3 HA TYR 3 -4.318 2.037 -2.173 20 HB2 TYR 3 HB2 TYR 3 -4.820 4.389 -2.584 21 HB3 TYR 3 HB3 TYR 3 -3.100 4.177 -2.279 22 HD1 TYR 3 HD1 TYR 3 -5.597 4.649 -4.985 23 HD2 TYR 3 HD2 TYR 3 -1.503 4.895 -3.850 24 HE1 TYR 3 HE1 TYR 3 -5.088 5.810 -7.093 25 HE2 TYR 3 HE2 TYR 3 -0.984 6.058 -5.955 26 HH TYR 3 HH TYR 3 -1.937 7.201 -7.711 27 H LYS 4 H LYS 4 -6.557 2.635 -2.756 28 HA LYS 4 HA LYS 4 -7.224 1.679 -5.463 29 HB2 LYS 4 HB2 LYS 4 -8.016 0.079 -3.891 30 HB3 LYS 4 HB3 LYS 4 -8.660 1.329 -2.835 31 HG2 LYS 4 HG2 LYS 4 -10.364 1.869 -4.484 32 HG3 LYS 4 HG3 LYS 4 -9.705 0.651 -5.578 33 HD2 LYS 4 HD2 LYS 4 -11.632 -0.252 -4.433 34 HD3 LYS 4 HD3 LYS 4 -10.176 -1.081 -3.876 35 HE2 LYS 4 HE2 LYS 4 -10.176 0.087 -1.828 36 HE3 LYS 4 HE3 LYS 4 -11.340 1.274 -2.414 37 HZ1 LYS 4 HZ1 LYS 4 -12.948 -0.630 -2.584 38 HZ2 LYS 4 HZ2 LYS 4 -12.518 -0.180 -1.012 39 HZ3 LYS 4 HZ3 LYS 4 -11.836 -1.561 -1.713 40 H LEU 5 H LEU 5 -8.537 2.885 -6.724 41 HA LEU 5 HA LEU 5 -9.309 5.513 -5.693 42 HB2 LEU 5 HB2 LEU 5 -8.045 4.835 -7.981 43 HB3 LEU 5 HB3 LEU 5 -9.715 4.876 -8.542 44 HG LEU 5 HG LEU 5 -9.159 7.238 -7.017 45 HD11 LEU 5 HD11 LEU 5 -7.272 8.113 -7.893 46 HD12 LEU 5 HD12 LEU 5 -7.466 7.279 -9.434 47 HD13 LEU 5 HD13 LEU 5 -6.822 6.414 -8.038 48 HD21 LEU 5 HD21 LEU 5 -9.825 6.689 -9.904 49 HD22 LEU 5 HD22 LEU 5 -9.768 8.302 -9.193 50 HD23 LEU 5 HD23 LEU 5 -10.940 7.120 -8.606 51 H ILE 6 H ILE 6 -11.373 6.140 -5.454 52 HA ILE 6 HA ILE 6 -13.460 4.187 -6.142 53 HB ILE 6 HB ILE 6 -13.546 6.450 -4.143 54 HG12 ILE 6 HG12 ILE 6 -13.937 4.069 -2.800 55 HG13 ILE 6 HG13 ILE 6 -12.708 3.649 -3.988 56 HG21 ILE 6 HG21 ILE 6 -15.756 6.274 -4.593 57 HG22 ILE 6 HG22 ILE 6 -15.606 4.642 -5.242 58 HG23 ILE 6 HG23 ILE 6 -15.634 4.898 -3.497 59 HD11 ILE 6 HD11 ILE 6 -11.301 4.384 -2.411 60 HD12 ILE 6 HD12 ILE 6 -11.720 5.977 -3.043 61 HD13 ILE 6 HD13 ILE 6 -12.537 5.353 -1.611 62 H LEU 7 H LEU 7 -14.930 4.654 -7.644 63 HA LEU 7 HA LEU 7 -14.944 7.354 -8.780 64 HB2 LEU 7 HB2 LEU 7 -15.613 4.642 -9.803 65 HB3 LEU 7 HB3 LEU 7 -16.432 6.030 -10.517 66 HG LEU 7 HG LEU 7 -14.345 5.149 -11.691 67 HD11 LEU 7 HD11 LEU 7 -14.675 7.106 -12.685 68 HD12 LEU 7 HD12 LEU 7 -13.536 7.806 -11.535 69 HD13 LEU 7 HD13 LEU 7 -15.266 7.837 -11.193 70 HD21 LEU 7 HD21 LEU 7 -12.980 4.873 -9.671 71 HD22 LEU 7 HD22 LEU 7 -13.009 6.618 -9.420 72 HD23 LEU 7 HD23 LEU 7 -12.213 5.945 -10.843 73 H ASN 8 H ASN 8 -16.500 8.702 -8.196 74 HA ASN 8 HA ASN 8 -19.069 7.582 -7.290 75 HB2 ASN 8 HB2 ASN 8 -17.509 9.050 -5.751 76 HB3 ASN 8 HB3 ASN 8 -18.238 10.382 -6.642 77 HD21 ASN 8 HD21 ASN 8 -20.740 9.987 -6.891 78 HD22 ASN 8 HD22 ASN 8 -21.546 9.648 -5.401 79 H GLY 9 H GLY 9 -19.350 7.536 -9.761 80 HA2 GLY 9 HA2 GLY 9 -19.858 10.067 -11.038 81 HA3 GLY 9 HA3 GLY 9 -20.163 8.474 -11.716 82 H LYS 10 H LYS 10 -21.953 10.514 -12.114 83 HA LYS 10 HA LYS 10 -24.079 10.348 -10.168 84 HB2 LYS 10 HB2 LYS 10 -24.231 11.549 -12.932 85 HB3 LYS 10 HB3 LYS 10 -25.249 11.911 -11.544 86 HG2 LYS 10 HG2 LYS 10 -22.303 12.511 -11.704 87 HG3 LYS 10 HG3 LYS 10 -23.590 13.671 -12.044 88 HD2 LYS 10 HD2 LYS 10 -23.543 14.184 -9.874 89 HD3 LYS 10 HD3 LYS 10 -24.272 12.604 -9.576 90 HE2 LYS 10 HE2 LYS 10 -21.670 11.913 -9.814 91 HE3 LYS 10 HE3 LYS 10 -21.509 13.537 -9.145 92 HZ1 LYS 10 HZ1 LYS 10 -23.430 11.724 -7.888 93 HZ2 LYS 10 HZ2 LYS 10 -22.471 12.930 -7.193 94 HZ3 LYS 10 HZ3 LYS 10 -21.785 11.441 -7.610 95 H THR 11 H THR 11 -23.457 9.148 -13.437 96 HA THR 11 HA THR 11 -25.812 7.395 -13.161 97 HB THR 11 HB THR 11 -26.004 9.037 -15.015 98 HG1 THR 11 HG1 THR 11 -27.036 7.526 -16.087 99 HG21 THR 11 HG21 THR 11 -24.595 8.807 -16.987 100 HG22 THR 11 HG22 THR 11 -23.668 7.530 -16.198 101 HG23 THR 11 HG23 THR 11 -23.608 9.178 -15.574 102 H LEU 12 H LEU 12 -22.745 7.195 -12.580 103 HA LEU 12 HA LEU 12 -22.560 4.417 -13.329 104 HB2 LEU 12 HB2 LEU 12 -20.444 4.607 -14.503 105 HB3 LEU 12 HB3 LEU 12 -21.712 5.503 -15.337 106 HG LEU 12 HG LEU 12 -20.047 7.072 -13.474 107 HD11 LEU 12 HD11 LEU 12 -18.229 7.274 -15.139 108 HD12 LEU 12 HD12 LEU 12 -18.936 5.927 -16.031 109 HD13 LEU 12 HD13 LEU 12 -18.320 5.675 -14.398 110 HD21 LEU 12 HD21 LEU 12 -20.110 8.598 -15.498 111 HD22 LEU 12 HD22 LEU 12 -21.658 8.250 -14.726 112 HD23 LEU 12 HD23 LEU 12 -21.213 7.427 -16.222 113 H LYS 13 H LYS 13 -21.213 3.262 -12.002 114 HA LYS 13 HA LYS 13 -19.494 4.730 -10.141 115 HB2 LYS 13 HB2 LYS 13 -21.632 2.756 -9.324 116 HB3 LYS 13 HB3 LYS 13 -20.369 3.346 -8.252 117 HG2 LYS 13 HG2 LYS 13 -22.331 5.153 -9.639 118 HG3 LYS 13 HG3 LYS 13 -22.596 4.475 -8.031 119 HD2 LYS 13 HD2 LYS 13 -19.989 5.600 -8.093 120 HD3 LYS 13 HD3 LYS 13 -21.111 6.787 -8.762 121 HE2 LYS 13 HE2 LYS 13 -21.302 5.406 -6.088 122 HE3 LYS 13 HE3 LYS 13 -20.940 7.107 -6.380 123 HZ1 LYS 13 HZ1 LYS 13 -23.112 7.442 -6.162 124 HZ2 LYS 13 HZ2 LYS 13 -23.472 5.792 -6.240 125 HZ3 LYS 13 HZ3 LYS 13 -23.312 6.690 -7.665 126 H GLY 14 H GLY 14 -17.791 3.506 -9.253 127 HA2 GLY 14 HA2 GLY 14 -17.464 0.727 -9.637 128 HA3 GLY 14 HA3 GLY 14 -16.652 1.589 -10.935 129 H GLU 15 H GLU 15 -15.001 0.138 -9.560 130 HA GLU 15 HA GLU 15 -13.417 2.080 -8.096 131 HB2 GLU 15 HB2 GLU 15 -14.958 0.098 -6.740 132 HB3 GLU 15 HB3 GLU 15 -13.258 -0.319 -6.573 133 HG2 GLU 15 HG2 GLU 15 -12.765 1.813 -5.604 134 HG3 GLU 15 HG3 GLU 15 -14.400 2.387 -5.927 135 H THR 16 H THR 16 -11.299 1.841 -8.492 136 HA THR 16 HA THR 16 -10.385 -0.705 -9.660 137 HB THR 16 HB THR 16 -8.727 1.328 -10.684 138 HG1 THR 16 HG1 THR 16 -11.472 2.007 -10.671 139 HG21 THR 16 HG21 THR 16 -9.083 -0.603 -11.961 140 HG22 THR 16 HG22 THR 16 -9.939 0.655 -12.853 141 HG23 THR 16 HG23 THR 16 -10.836 -0.472 -11.836 142 H THR 17 H THR 17 -8.214 -1.280 -9.265 143 HA THR 17 HA THR 17 -6.885 0.258 -7.132 144 HB THR 17 HB THR 17 -6.236 -1.727 -5.990 145 HG1 THR 17 HG1 THR 17 -7.023 -2.961 -8.376 146 HG21 THR 17 HG21 THR 17 -8.922 -1.020 -6.325 147 HG22 THR 17 HG22 THR 17 -8.223 -1.952 -5.001 148 HG23 THR 17 HG23 THR 17 -8.888 -2.781 -6.408 149 H THR 18 H THR 18 -4.633 0.290 -7.152 150 HA THR 18 HA THR 18 -3.269 -1.036 -9.376 151 HB THR 18 HB THR 18 -3.849 1.202 -10.212 152 HG1 THR 18 HG1 THR 18 -1.068 1.046 -9.617 153 HG21 THR 18 HG21 THR 18 -2.001 2.460 -8.235 154 HG22 THR 18 HG22 THR 18 -3.672 2.149 -7.764 155 HG23 THR 18 HG23 THR 18 -3.324 3.178 -9.154 156 H GLU 19 H GLU 19 -1.131 -1.524 -8.997 157 HA GLU 19 HA GLU 19 -0.214 -1.067 -6.243 158 HB2 GLU 19 HB2 GLU 19 1.262 -3.004 -6.602 159 HB3 GLU 19 HB3 GLU 19 -0.429 -3.412 -6.857 160 HG2 GLU 19 HG2 GLU 19 -0.038 -3.116 -9.311 161 HG3 GLU 19 HG3 GLU 19 1.681 -2.963 -8.950 162 H ALA 20 H ALA 20 1.366 0.338 -5.913 163 HA ALA 20 HA ALA 20 3.540 0.601 -7.816 164 HB1 ALA 20 HB1 ALA 20 1.837 2.983 -7.094 165 HB2 ALA 20 HB2 ALA 20 3.319 3.015 -8.052 166 HB3 ALA 20 HB3 ALA 20 1.888 2.190 -8.669 167 H VAL 21 H VAL 21 5.413 1.504 -6.931 168 HA VAL 21 HA VAL 21 5.615 1.281 -4.074 169 HB VAL 21 HB VAL 21 7.990 1.755 -4.380 170 HG11 VAL 21 HG11 VAL 21 8.540 -0.243 -5.406 171 HG12 VAL 21 HG12 VAL 21 6.847 -0.503 -4.980 172 HG13 VAL 21 HG13 VAL 21 7.285 -0.078 -6.635 173 HG21 VAL 21 HG21 VAL 21 7.054 2.676 -7.038 174 HG22 VAL 21 HG22 VAL 21 8.321 3.324 -5.996 175 HG23 VAL 21 HG23 VAL 21 8.626 1.879 -6.961 176 H ASP 22 H ASP 22 5.185 3.844 -6.344 177 HA ASP 22 HA ASP 22 5.402 5.790 -4.147 178 HB2 ASP 22 HB2 ASP 22 6.930 5.713 -6.571 179 HB3 ASP 22 HB3 ASP 22 5.903 7.144 -6.586 180 H ALA 23 H ALA 23 3.947 7.534 -4.205 181 HA ALA 23 HA ALA 23 1.405 6.916 -5.346 182 HB1 ALA 23 HB1 ALA 23 2.486 8.861 -3.462 183 HB2 ALA 23 HB2 ALA 23 1.203 9.512 -4.482 184 HB3 ALA 23 HB3 ALA 23 0.907 8.076 -3.502 185 H ALA 24 H ALA 24 4.113 8.833 -6.325 186 HA ALA 24 HA ALA 24 2.772 10.578 -8.110 187 HB1 ALA 24 HB1 ALA 24 5.034 11.005 -7.247 188 HB2 ALA 24 HB2 ALA 24 5.639 9.648 -8.198 189 HB3 ALA 24 HB3 ALA 24 4.969 11.064 -9.009 190 H THR 25 H THR 25 4.302 7.415 -8.510 191 HA THR 25 HA THR 25 3.961 7.300 -11.332 192 HB THR 25 HB THR 25 4.360 5.044 -9.357 193 HG1 THR 25 HG1 THR 25 6.164 6.610 -10.906 194 HG21 THR 25 HG21 THR 25 5.435 4.267 -11.765 195 HG22 THR 25 HG22 THR 25 3.956 5.097 -12.250 196 HG23 THR 25 HG23 THR 25 3.879 3.745 -11.122 197 H ALA 26 H ALA 26 2.097 6.069 -8.587 198 HA ALA 26 HA ALA 26 0.160 4.717 -10.186 199 HB1 ALA 26 HB1 ALA 26 0.323 5.483 -7.296 200 HB2 ALA 26 HB2 ALA 26 -1.165 4.819 -7.972 201 HB3 ALA 26 HB3 ALA 26 0.326 3.878 -8.028 202 H GLU 27 H GLU 27 0.362 7.913 -8.707 203 HA GLU 27 HA GLU 27 -2.264 8.758 -9.066 204 HB2 GLU 27 HB2 GLU 27 -0.720 10.067 -7.759 205 HB3 GLU 27 HB3 GLU 27 0.313 10.329 -9.158 206 HG2 GLU 27 HG2 GLU 27 -1.191 11.814 -10.141 207 HG3 GLU 27 HG3 GLU 27 -2.526 11.279 -9.123 208 H LYS 28 H LYS 28 0.512 9.178 -11.256 209 HA LYS 28 HA LYS 28 -0.885 10.451 -13.324 210 HB2 LYS 28 HB2 LYS 28 1.004 9.712 -14.769 211 HB3 LYS 28 HB3 LYS 28 1.523 10.489 -13.279 212 HG2 LYS 28 HG2 LYS 28 2.039 8.348 -12.293 213 HG3 LYS 28 HG3 LYS 28 1.413 7.512 -13.717 214 HD2 LYS 28 HD2 LYS 28 3.253 9.268 -14.776 215 HD3 LYS 28 HD3 LYS 28 4.011 8.755 -13.266 216 HE2 LYS 28 HE2 LYS 28 4.730 7.217 -14.903 217 HE3 LYS 28 HE3 LYS 28 3.489 6.380 -13.971 218 HZ1 LYS 28 HZ1 LYS 28 2.092 6.319 -15.719 219 HZ2 LYS 28 HZ2 LYS 28 3.517 6.455 -16.620 220 HZ3 LYS 28 HZ3 LYS 28 2.572 7.826 -16.321 221 H VAL 29 H VAL 29 -0.374 7.038 -12.616 222 HA VAL 29 HA VAL 29 -1.324 5.954 -15.015 223 HB VAL 29 HB VAL 29 -1.455 4.820 -12.219 224 HG11 VAL 29 HG11 VAL 29 -2.111 3.620 -14.887 225 HG12 VAL 29 HG12 VAL 29 -1.566 2.618 -13.541 226 HG13 VAL 29 HG13 VAL 29 -3.041 3.574 -13.390 227 HG21 VAL 29 HG21 VAL 29 0.638 4.008 -12.520 228 HG22 VAL 29 HG22 VAL 29 0.420 3.783 -14.256 229 HG23 VAL 29 HG23 VAL 29 0.766 5.388 -13.611 230 H PHE 30 H PHE 30 -3.056 6.668 -11.991 231 HA PHE 30 HA PHE 30 -5.594 5.861 -13.005 232 HB2 PHE 30 HB2 PHE 30 -4.538 7.010 -10.519 233 HB3 PHE 30 HB3 PHE 30 -6.170 7.541 -10.911 234 HD1 PHE 30 HD1 PHE 30 -7.584 5.378 -11.937 235 HD2 PHE 30 HD2 PHE 30 -4.498 5.300 -9.007 236 HE1 PHE 30 HE1 PHE 30 -8.485 3.267 -11.050 237 HE2 PHE 30 HE2 PHE 30 -5.393 3.188 -8.115 238 HZ PHE 30 HZ PHE 30 -7.388 2.169 -9.137 239 H LYS 31 H LYS 31 -3.962 8.974 -12.624 240 HA LYS 31 HA LYS 31 -6.045 10.680 -13.293 241 HB2 LYS 31 HB2 LYS 31 -3.161 10.831 -13.119 242 HB3 LYS 31 HB3 LYS 31 -3.755 11.791 -14.467 243 HG2 LYS 31 HG2 LYS 31 -4.718 12.017 -11.623 244 HG3 LYS 31 HG3 LYS 31 -3.549 13.090 -12.396 245 HD2 LYS 31 HD2 LYS 31 -6.254 12.651 -13.607 246 HD3 LYS 31 HD3 LYS 31 -6.035 13.805 -12.290 247 HE2 LYS 31 HE2 LYS 31 -4.214 13.914 -14.651 248 HE3 LYS 31 HE3 LYS 31 -5.844 14.572 -14.790 249 HZ1 LYS 31 HZ1 LYS 31 -3.803 15.376 -12.787 250 HZ2 LYS 31 HZ2 LYS 31 -5.379 15.986 -12.871 251 HZ3 LYS 31 HZ3 LYS 31 -4.290 16.281 -14.131 252 H GLN 32 H GLN 32 -3.788 8.960 -15.411 253 HA GLN 32 HA GLN 32 -4.832 10.089 -17.817 254 HB2 GLN 32 HB2 GLN 32 -2.575 9.299 -17.842 255 HB3 GLN 32 HB3 GLN 32 -3.062 7.706 -17.278 256 HG2 GLN 32 HG2 GLN 32 -4.449 8.314 -19.699 257 HG3 GLN 32 HG3 GLN 32 -2.722 8.588 -19.925 258 HE21 GLN 32 HE21 GLN 32 -4.418 6.237 -17.903 259 HE22 GLN 32 HE22 GLN 32 -3.741 4.836 -18.654 260 H TYR 33 H TYR 33 -5.217 6.955 -16.192 261 HA TYR 33 HA TYR 33 -6.878 5.737 -18.069 262 HB2 TYR 33 HB2 TYR 33 -5.848 4.517 -16.210 263 HB3 TYR 33 HB3 TYR 33 -6.863 5.386 -15.063 264 HD1 TYR 33 HD1 TYR 33 -8.904 4.479 -14.417 265 HD2 TYR 33 HD2 TYR 33 -7.085 3.118 -18.014 266 HE1 TYR 33 HE1 TYR 33 -10.636 2.746 -14.631 267 HE2 TYR 33 HE2 TYR 33 -8.813 1.383 -18.239 268 HH TYR 33 HH TYR 33 -11.611 1.387 -16.886 269 H ALA 34 H ALA 34 -7.685 7.812 -15.317 270 HA ALA 34 HA ALA 34 -10.504 7.604 -15.645 271 HB1 ALA 34 HB1 ALA 34 -10.674 9.307 -13.993 272 HB2 ALA 34 HB2 ALA 34 -9.323 8.268 -13.534 273 HB3 ALA 34 HB3 ALA 34 -9.017 9.837 -14.280 274 H ASN 35 H ASN 35 -8.061 9.897 -16.761 275 HA ASN 35 HA ASN 35 -9.852 11.795 -17.843 276 HB2 ASN 35 HB2 ASN 35 -7.669 12.583 -17.513 277 HB3 ASN 35 HB3 ASN 35 -6.944 11.178 -18.291 278 HD21 ASN 35 HD21 ASN 35 -6.844 11.079 -20.525 279 HD22 ASN 35 HD22 ASN 35 -7.104 12.466 -21.522 280 H ASP 36 H ASP 36 -8.137 9.045 -19.285 281 HA ASP 36 HA ASP 36 -8.943 9.411 -21.931 282 HB2 ASP 36 HB2 ASP 36 -7.213 7.777 -21.068 283 HB3 ASP 36 HB3 ASP 36 -8.549 6.728 -20.600 284 H ASN 37 H ASN 37 -10.612 7.977 -19.204 285 HA ASN 37 HA ASN 37 -12.768 6.939 -20.815 286 HB2 ASN 37 HB2 ASN 37 -11.808 6.292 -18.347 287 HB3 ASN 37 HB3 ASN 37 -13.216 7.259 -17.918 288 HD21 ASN 37 HD21 ASN 37 -12.270 4.227 -18.280 289 HD22 ASN 37 HD22 ASN 37 -13.732 3.487 -18.828 290 H GLY 38 H GLY 38 -11.920 9.983 -19.963 291 HA2 GLY 38 HA2 GLY 38 -13.089 11.961 -20.244 292 HA3 GLY 38 HA3 GLY 38 -14.540 11.018 -20.551 293 H VAL 39 H VAL 39 -12.732 10.387 -17.675 294 HA VAL 39 HA VAL 39 -14.956 10.961 -16.005 295 HB VAL 39 HB VAL 39 -12.072 10.465 -15.253 296 HG11 VAL 39 HG11 VAL 39 -13.031 11.476 -13.375 297 HG12 VAL 39 HG12 VAL 39 -14.582 10.671 -13.621 298 HG13 VAL 39 HG13 VAL 39 -13.187 9.748 -13.062 299 HG21 VAL 39 HG21 VAL 39 -12.434 8.281 -15.526 300 HG22 VAL 39 HG22 VAL 39 -13.993 8.357 -14.706 301 HG23 VAL 39 HG23 VAL 39 -13.881 8.734 -16.425 302 H ASP 40 H ASP 40 -15.612 12.880 -15.325 303 HA ASP 40 HA ASP 40 -13.599 14.980 -14.860 304 HB2 ASP 40 HB2 ASP 40 -15.018 15.293 -16.960 305 HB3 ASP 40 HB3 ASP 40 -16.384 15.541 -15.876 306 H GLY 41 H GLY 41 -14.035 16.443 -13.168 307 HA2 GLY 41 HA2 GLY 41 -16.102 16.951 -11.605 308 HA3 GLY 41 HA3 GLY 41 -15.759 15.303 -11.100 309 H GLU 42 H GLU 42 -15.321 16.047 -8.980 310 HA GLU 42 HA GLU 42 -12.932 17.717 -8.668 311 HB2 GLU 42 HB2 GLU 42 -15.105 18.205 -7.423 312 HB3 GLU 42 HB3 GLU 42 -14.763 16.768 -6.469 313 HG2 GLU 42 HG2 GLU 42 -12.805 17.721 -5.557 314 HG3 GLU 42 HG3 GLU 42 -12.825 19.047 -6.718 315 H TRP 43 H TRP 43 -11.041 16.902 -8.029 316 HA TRP 43 HA TRP 43 -10.947 14.058 -7.307 317 HB2 TRP 43 HB2 TRP 43 -8.996 15.936 -8.589 318 HB3 TRP 43 HB3 TRP 43 -8.401 14.507 -7.749 319 HD1 TRP 43 HD1 TRP 43 -10.545 15.506 -10.783 320 HE1 TRP 43 HE1 TRP 43 -10.624 13.513 -12.410 321 HE3 TRP 43 HE3 TRP 43 -8.154 12.017 -7.911 322 HZ2 TRP 43 HZ2 TRP 43 -9.785 10.819 -12.468 323 HZ3 TRP 43 HZ3 TRP 43 -7.833 9.756 -8.825 324 HH2 TRP 43 HH2 TRP 43 -8.633 9.171 -11.057 325 H THR 44 H THR 44 -10.136 13.364 -5.398 326 HA THR 44 HA THR 44 -9.252 15.436 -3.496 327 HB THR 44 HB THR 44 -10.234 12.853 -2.429 328 HG1 THR 44 HG1 THR 44 -12.106 14.803 -3.300 329 HG21 THR 44 HG21 THR 44 -10.374 15.758 -1.689 330 HG22 THR 44 HG22 THR 44 -9.662 14.416 -0.792 331 HG23 THR 44 HG23 THR 44 -11.415 14.571 -0.905 332 H TYR 45 H TYR 45 -7.474 15.048 -2.208 333 HA TYR 45 HA TYR 45 -6.019 12.533 -2.621 334 HB2 TYR 45 HB2 TYR 45 -3.891 13.964 -2.709 335 HB3 TYR 45 HB3 TYR 45 -4.897 13.924 -4.153 336 HD1 TYR 45 HD1 TYR 45 -6.311 15.877 -4.728 337 HD2 TYR 45 HD2 TYR 45 -3.551 15.990 -1.492 338 HE1 TYR 45 HE1 TYR 45 -6.441 18.333 -4.711 339 HE2 TYR 45 HE2 TYR 45 -3.675 18.446 -1.464 340 HH TYR 45 HH TYR 45 -5.928 20.196 -3.534 341 H ASP 46 H ASP 46 -5.815 11.661 -0.675 342 HA ASP 46 HA ASP 46 -5.141 13.424 1.589 343 HB2 ASP 46 HB2 ASP 46 -7.349 12.634 1.996 344 HB3 ASP 46 HB3 ASP 46 -6.928 10.995 1.508 345 H ASP 47 H ASP 47 -2.972 13.155 1.694 346 HA ASP 47 HA ASP 47 -1.614 10.728 1.205 347 HB2 ASP 47 HB2 ASP 47 0.350 11.843 1.919 348 HB3 ASP 47 HB3 ASP 47 -0.647 13.085 1.166 349 H ALA 48 H ALA 48 -3.490 11.725 3.819 350 HA ALA 48 HA ALA 48 -2.107 10.427 5.941 351 HB1 ALA 48 HB1 ALA 48 -3.826 11.095 7.285 352 HB2 ALA 48 HB2 ALA 48 -4.037 12.228 5.949 353 HB3 ALA 48 HB3 ALA 48 -5.054 10.791 6.056 354 H THR 49 H THR 49 -4.844 9.490 3.881 355 HA THR 49 HA THR 49 -4.539 6.727 4.858 356 HB THR 49 HB THR 49 -6.822 6.306 4.341 357 HG1 THR 49 HG1 THR 49 -7.041 7.438 2.405 358 HG21 THR 49 HG21 THR 49 -7.564 7.353 6.167 359 HG22 THR 49 HG22 THR 49 -7.489 8.922 5.365 360 HG23 THR 49 HG23 THR 49 -6.061 8.275 6.173 361 H LYS 50 H LYS 50 -3.669 8.627 2.355 362 HA LYS 50 HA LYS 50 -3.128 8.311 0.162 363 HB2 LYS 50 HB2 LYS 50 -2.841 5.400 0.889 364 HB3 LYS 50 HB3 LYS 50 -1.942 6.308 -0.319 365 HG2 LYS 50 HG2 LYS 50 -1.774 6.804 2.645 366 HG3 LYS 50 HG3 LYS 50 -0.649 5.796 1.732 367 HD2 LYS 50 HD2 LYS 50 -0.191 7.796 0.282 368 HD3 LYS 50 HD3 LYS 50 -1.139 8.754 1.421 369 HE2 LYS 50 HE2 LYS 50 0.394 8.092 3.224 370 HE3 LYS 50 HE3 LYS 50 1.349 7.171 2.063 371 HZ1 LYS 50 HZ1 LYS 50 1.217 9.610 0.919 372 HZ2 LYS 50 HZ2 LYS 50 2.508 9.051 1.858 373 HZ3 LYS 50 HZ3 LYS 50 1.302 10.006 2.562 374 H THR 51 H THR 51 -5.800 8.466 0.382 375 HA THR 51 HA THR 51 -6.779 6.358 -1.432 376 HB THR 51 HB THR 51 -7.824 6.379 0.879 377 HG1 THR 51 HG1 THR 51 -9.448 5.502 -0.149 378 HG21 THR 51 HG21 THR 51 -7.927 9.022 0.694 379 HG22 THR 51 HG22 THR 51 -9.122 8.113 1.619 380 HG23 THR 51 HG23 THR 51 -9.503 8.668 -0.011 381 H PHE 52 H PHE 52 -7.842 6.972 -3.257 382 HA PHE 52 HA PHE 52 -8.126 9.870 -3.711 383 HB2 PHE 52 HB2 PHE 52 -7.398 7.723 -5.714 384 HB3 PHE 52 HB3 PHE 52 -7.666 9.419 -6.102 385 HD1 PHE 52 HD1 PHE 52 -5.927 10.961 -5.956 386 HD2 PHE 52 HD2 PHE 52 -5.517 7.149 -4.107 387 HE1 PHE 52 HE1 PHE 52 -3.557 11.440 -5.504 388 HE2 PHE 52 HE2 PHE 52 -3.146 7.622 -3.651 389 HZ PHE 52 HZ PHE 52 -2.163 9.770 -4.349 390 H THR 53 H THR 53 -9.966 10.611 -4.710 391 HA THR 53 HA THR 53 -11.959 8.699 -5.639 392 HB THR 53 HB THR 53 -12.773 10.756 -3.593 393 HG1 THR 53 HG1 THR 53 -12.896 8.723 -2.236 394 HG21 THR 53 HG21 THR 53 -14.736 9.246 -3.380 395 HG22 THR 53 HG22 THR 53 -14.085 8.270 -4.697 396 HG23 THR 53 HG23 THR 53 -14.565 9.941 -4.991 397 H VAL 54 H VAL 54 -13.667 9.670 -6.866 398 HA VAL 54 HA VAL 54 -13.363 12.494 -7.546 399 HB VAL 54 HB VAL 54 -13.733 10.799 -9.916 400 HG11 VAL 54 HG11 VAL 54 -13.496 13.261 -9.943 401 HG12 VAL 54 HG12 VAL 54 -11.846 13.080 -9.343 402 HG13 VAL 54 HG13 VAL 54 -12.284 12.440 -10.927 403 HG21 VAL 54 HG21 VAL 54 -11.062 10.849 -8.514 404 HG22 VAL 54 HG22 VAL 54 -12.095 9.434 -8.724 405 HG23 VAL 54 HG23 VAL 54 -11.368 10.212 -10.130 406 H THR 55 H THR 55 -15.258 13.476 -7.963 407 HA THR 55 HA THR 55 -17.629 11.770 -8.360 408 HB THR 55 HB THR 55 -17.458 14.296 -6.706 409 HG1 THR 55 HG1 THR 55 -16.679 12.239 -5.787 410 HG21 THR 55 HG21 THR 55 -19.588 14.295 -7.762 411 HG22 THR 55 HG22 THR 55 -19.841 13.685 -6.127 412 HG23 THR 55 HG23 THR 55 -19.797 12.566 -7.489 413 H GLU 56 H GLU 56 -18.600 12.141 -10.234 414 HA GLU 56 HA GLU 56 -18.064 14.626 -11.665 415 HB2 GLU 56 HB2 GLU 56 -18.816 13.529 -13.621 416 HB3 GLU 56 HB3 GLU 56 -17.868 12.336 -12.743 417 HG2 GLU 56 HG2 GLU 56 -19.594 10.973 -13.041 418 HG3 GLU 56 HG3 GLU 56 -20.400 11.911 -11.785 Start of MODEL 18 1 H MET 1 H MET 1 2.252 -2.595 -1.476 2 HA MET 1 HA MET 1 2.130 0.248 -1.161 3 HB2 MET 1 HB2 MET 1 3.923 0.303 -2.824 4 HB3 MET 1 HB3 MET 1 4.255 -0.898 -1.583 5 HG2 MET 1 HG2 MET 1 2.822 -2.015 -3.842 6 HG3 MET 1 HG3 MET 1 4.354 -1.280 -4.308 7 HE1 MET 1 HE1 MET 1 6.812 -3.802 -3.718 8 HE2 MET 1 HE2 MET 1 6.240 -2.309 -4.463 9 HE3 MET 1 HE3 MET 1 6.885 -2.285 -2.821 10 H GLN 2 H GLN 2 -0.286 -1.067 -2.182 11 HA GLN 2 HA GLN 2 -0.469 0.198 -4.835 12 HB2 GLN 2 HB2 GLN 2 -2.376 -1.298 -5.257 13 HB3 GLN 2 HB3 GLN 2 -0.905 -2.195 -4.905 14 HG2 GLN 2 HG2 GLN 2 -2.521 -3.327 -3.701 15 HG3 GLN 2 HG3 GLN 2 -1.778 -2.279 -2.493 16 HE21 GLN 2 HE21 GLN 2 -4.248 -1.769 -4.989 17 HE22 GLN 2 HE22 GLN 2 -5.446 -1.138 -3.917 18 H TYR 3 H TYR 3 -2.244 1.508 -5.320 19 HA TYR 3 HA TYR 3 -3.650 2.550 -2.954 20 HB2 TYR 3 HB2 TYR 3 -3.028 3.902 -5.588 21 HB3 TYR 3 HB3 TYR 3 -3.940 4.632 -4.271 22 HD1 TYR 3 HD1 TYR 3 -2.633 4.465 -1.909 23 HD2 TYR 3 HD2 TYR 3 -0.814 4.502 -5.756 24 HE1 TYR 3 HE1 TYR 3 -0.539 5.277 -0.905 25 HE2 TYR 3 HE2 TYR 3 1.284 5.313 -4.762 26 HH TYR 3 HH TYR 3 1.474 6.301 -1.421 27 H LYS 4 H LYS 4 -5.865 3.194 -3.188 28 HA LYS 4 HA LYS 4 -7.279 1.696 -5.296 29 HB2 LYS 4 HB2 LYS 4 -7.740 0.676 -3.181 30 HB3 LYS 4 HB3 LYS 4 -8.053 2.234 -2.429 31 HG2 LYS 4 HG2 LYS 4 -10.122 2.458 -3.457 32 HG3 LYS 4 HG3 LYS 4 -9.738 1.272 -4.706 33 HD2 LYS 4 HD2 LYS 4 -10.983 -0.109 -3.435 34 HD3 LYS 4 HD3 LYS 4 -9.511 -0.246 -2.471 35 HE2 LYS 4 HE2 LYS 4 -11.091 2.081 -1.751 36 HE3 LYS 4 HE3 LYS 4 -11.999 0.580 -1.579 37 HZ1 LYS 4 HZ1 LYS 4 -9.784 -0.173 -0.418 38 HZ2 LYS 4 HZ2 LYS 4 -10.980 0.664 0.436 39 HZ3 LYS 4 HZ3 LYS 4 -9.619 1.487 -0.139 40 H LEU 5 H LEU 5 -8.759 2.740 -6.514 41 HA LEU 5 HA LEU 5 -9.187 5.593 -5.929 42 HB2 LEU 5 HB2 LEU 5 -8.071 4.599 -8.132 43 HB3 LEU 5 HB3 LEU 5 -9.761 4.475 -8.616 44 HG LEU 5 HG LEU 5 -8.781 6.520 -9.466 45 HD11 LEU 5 HD11 LEU 5 -10.595 7.797 -9.044 46 HD12 LEU 5 HD12 LEU 5 -10.466 7.603 -7.297 47 HD13 LEU 5 HD13 LEU 5 -11.172 6.317 -8.276 48 HD21 LEU 5 HD21 LEU 5 -8.453 7.651 -6.738 49 HD22 LEU 5 HD22 LEU 5 -7.616 8.050 -8.238 50 HD23 LEU 5 HD23 LEU 5 -7.191 6.584 -7.354 51 H ILE 6 H ILE 6 -11.202 6.356 -5.659 52 HA ILE 6 HA ILE 6 -13.420 4.448 -5.984 53 HB ILE 6 HB ILE 6 -13.267 6.869 -4.183 54 HG12 ILE 6 HG12 ILE 6 -13.629 4.603 -2.627 55 HG13 ILE 6 HG13 ILE 6 -12.475 4.079 -3.849 56 HG21 ILE 6 HG21 ILE 6 -15.526 6.604 -4.761 57 HG22 ILE 6 HG22 ILE 6 -15.425 4.846 -4.694 58 HG23 ILE 6 HG23 ILE 6 -15.358 5.789 -3.206 59 HD11 ILE 6 HD11 ILE 6 -10.844 5.101 -2.770 60 HD12 ILE 6 HD12 ILE 6 -11.696 6.641 -2.884 61 HD13 ILE 6 HD13 ILE 6 -11.990 5.570 -1.515 62 H LEU 7 H LEU 7 -14.780 4.827 -7.593 63 HA LEU 7 HA LEU 7 -14.855 7.488 -8.807 64 HB2 LEU 7 HB2 LEU 7 -15.520 4.735 -9.728 65 HB3 LEU 7 HB3 LEU 7 -16.322 6.102 -10.498 66 HG LEU 7 HG LEU 7 -14.261 5.187 -11.652 67 HD11 LEU 7 HD11 LEU 7 -14.622 7.160 -12.626 68 HD12 LEU 7 HD12 LEU 7 -13.330 7.768 -11.592 69 HD13 LEU 7 HD13 LEU 7 -15.013 7.945 -11.096 70 HD21 LEU 7 HD21 LEU 7 -12.832 6.665 -9.448 71 HD22 LEU 7 HD22 LEU 7 -12.105 5.818 -10.814 72 HD23 LEU 7 HD23 LEU 7 -12.946 4.908 -9.557 73 H ASN 8 H ASN 8 -16.411 8.835 -8.219 74 HA ASN 8 HA ASN 8 -18.991 7.713 -7.345 75 HB2 ASN 8 HB2 ASN 8 -17.523 9.034 -5.675 76 HB3 ASN 8 HB3 ASN 8 -18.011 10.456 -6.593 77 HD21 ASN 8 HD21 ASN 8 -20.459 10.524 -6.998 78 HD22 ASN 8 HD22 ASN 8 -21.449 10.195 -5.621 79 H GLY 9 H GLY 9 -19.209 7.753 -9.831 80 HA2 GLY 9 HA2 GLY 9 -19.978 10.421 -10.792 81 HA3 GLY 9 HA3 GLY 9 -19.690 9.011 -11.800 82 H LYS 10 H LYS 10 -21.996 10.880 -11.623 83 HA LYS 10 HA LYS 10 -24.156 9.292 -10.544 84 HB2 LYS 10 HB2 LYS 10 -24.223 11.826 -12.195 85 HB3 LYS 10 HB3 LYS 10 -25.602 11.099 -11.381 86 HG2 LYS 10 HG2 LYS 10 -24.986 11.870 -9.353 87 HG3 LYS 10 HG3 LYS 10 -23.261 11.691 -9.687 88 HD2 LYS 10 HD2 LYS 10 -24.771 13.767 -11.189 89 HD3 LYS 10 HD3 LYS 10 -24.410 14.072 -9.488 90 HE2 LYS 10 HE2 LYS 10 -22.187 14.282 -9.861 91 HE3 LYS 10 HE3 LYS 10 -22.177 13.062 -11.134 92 HZ1 LYS 10 HZ1 LYS 10 -22.013 14.758 -12.538 93 HZ2 LYS 10 HZ2 LYS 10 -22.381 15.903 -11.350 94 HZ3 LYS 10 HZ3 LYS 10 -23.627 15.121 -12.184 95 H THR 11 H THR 11 -22.508 9.590 -13.528 96 HA THR 11 HA THR 11 -24.707 8.354 -15.019 97 HB THR 11 HB THR 11 -23.425 8.815 -17.033 98 HG1 THR 11 HG1 THR 11 -21.381 9.644 -16.948 99 HG21 THR 11 HG21 THR 11 -23.495 11.204 -15.185 100 HG22 THR 11 HG22 THR 11 -24.838 10.610 -16.162 101 HG23 THR 11 HG23 THR 11 -23.400 11.266 -16.945 102 H LEU 12 H LEU 12 -21.714 7.613 -13.519 103 HA LEU 12 HA LEU 12 -21.996 4.830 -14.197 104 HB2 LEU 12 HB2 LEU 12 -19.423 4.930 -14.866 105 HB3 LEU 12 HB3 LEU 12 -20.724 5.054 -16.048 106 HG LEU 12 HG LEU 12 -20.475 7.468 -16.108 107 HD11 LEU 12 HD11 LEU 12 -18.360 8.367 -14.918 108 HD12 LEU 12 HD12 LEU 12 -18.552 6.958 -13.876 109 HD13 LEU 12 HD13 LEU 12 -19.845 8.151 -13.990 110 HD21 LEU 12 HD21 LEU 12 -17.806 7.306 -16.639 111 HD22 LEU 12 HD22 LEU 12 -19.090 6.834 -17.752 112 HD23 LEU 12 HD23 LEU 12 -18.300 5.616 -16.749 113 H LYS 13 H LYS 13 -20.975 3.483 -12.747 114 HA LYS 13 HA LYS 13 -19.311 4.750 -10.681 115 HB2 LYS 13 HB2 LYS 13 -21.736 3.009 -10.288 116 HB3 LYS 13 HB3 LYS 13 -20.503 3.167 -9.043 117 HG2 LYS 13 HG2 LYS 13 -22.026 5.475 -10.234 118 HG3 LYS 13 HG3 LYS 13 -22.446 4.664 -8.724 119 HD2 LYS 13 HD2 LYS 13 -19.649 5.481 -8.850 120 HD3 LYS 13 HD3 LYS 13 -20.775 6.835 -8.979 121 HE2 LYS 13 HE2 LYS 13 -20.026 6.179 -6.639 122 HE3 LYS 13 HE3 LYS 13 -21.761 6.350 -6.902 123 HZ1 LYS 13 HZ1 LYS 13 -20.942 4.316 -5.632 124 HZ2 LYS 13 HZ2 LYS 13 -20.432 3.723 -7.132 125 HZ3 LYS 13 HZ3 LYS 13 -22.069 4.060 -6.868 126 H GLY 14 H GLY 14 -17.770 3.410 -9.697 127 HA2 GLY 14 HA2 GLY 14 -17.538 0.640 -10.080 128 HA3 GLY 14 HA3 GLY 14 -16.624 1.443 -11.348 129 H GLU 15 H GLU 15 -15.084 -0.048 -9.924 130 HA GLU 15 HA GLU 15 -13.596 1.829 -8.246 131 HB2 GLU 15 HB2 GLU 15 -15.036 0.347 -6.793 132 HB3 GLU 15 HB3 GLU 15 -14.095 -1.018 -7.376 133 HG2 GLU 15 HG2 GLU 15 -12.654 -0.658 -5.743 134 HG3 GLU 15 HG3 GLU 15 -12.226 0.871 -6.509 135 H THR 16 H THR 16 -11.456 1.764 -8.591 136 HA THR 16 HA THR 16 -10.329 -0.573 -9.977 137 HB THR 16 HB THR 16 -8.940 1.800 -10.793 138 HG1 THR 16 HG1 THR 16 -10.601 3.108 -10.961 139 HG21 THR 16 HG21 THR 16 -9.472 0.956 -13.031 140 HG22 THR 16 HG22 THR 16 -10.635 -0.171 -12.332 141 HG23 THR 16 HG23 THR 16 -8.916 -0.342 -11.975 142 H THR 17 H THR 17 -8.092 -0.938 -9.635 143 HA THR 17 HA THR 17 -6.735 0.700 -7.642 144 HB THR 17 HB THR 17 -6.226 -1.117 -6.157 145 HG1 THR 17 HG1 THR 17 -7.502 -2.680 -8.144 146 HG21 THR 17 HG21 THR 17 -8.344 -1.496 -5.167 147 HG22 THR 17 HG22 THR 17 -9.176 -1.357 -6.716 148 HG23 THR 17 HG23 THR 17 -8.462 0.071 -5.967 149 H THR 18 H THR 18 -4.492 0.507 -7.666 150 HA THR 18 HA THR 18 -3.283 -1.390 -9.527 151 HB THR 18 HB THR 18 -3.684 0.551 -10.932 152 HG1 THR 18 HG1 THR 18 -0.933 0.596 -10.223 153 HG21 THR 18 HG21 THR 18 -1.940 2.497 -9.884 154 HG22 THR 18 HG22 THR 18 -2.978 1.989 -8.551 155 HG23 THR 18 HG23 THR 18 -3.693 2.594 -10.045 156 H GLU 19 H GLU 19 -1.143 -1.880 -9.085 157 HA GLU 19 HA GLU 19 -0.157 -0.863 -6.511 158 HB2 GLU 19 HB2 GLU 19 1.219 -2.907 -6.438 159 HB3 GLU 19 HB3 GLU 19 -0.496 -3.268 -6.566 160 HG2 GLU 19 HG2 GLU 19 0.389 -3.155 -9.194 161 HG3 GLU 19 HG3 GLU 19 1.677 -3.983 -8.321 162 H ALA 20 H ALA 20 1.516 0.474 -6.504 163 HA ALA 20 HA ALA 20 3.536 0.269 -8.617 164 HB1 ALA 20 HB1 ALA 20 3.018 2.206 -9.563 165 HB2 ALA 20 HB2 ALA 20 1.610 2.323 -8.506 166 HB3 ALA 20 HB3 ALA 20 3.146 3.033 -8.010 167 H VAL 21 H VAL 21 5.583 1.192 -8.063 168 HA VAL 21 HA VAL 21 6.128 1.019 -5.218 169 HB VAL 21 HB VAL 21 8.093 1.505 -7.457 170 HG11 VAL 21 HG11 VAL 21 8.310 0.961 -4.548 171 HG12 VAL 21 HG12 VAL 21 9.509 0.226 -5.614 172 HG13 VAL 21 HG13 VAL 21 9.306 1.979 -5.588 173 HG21 VAL 21 HG21 VAL 21 6.919 -1.028 -6.374 174 HG22 VAL 21 HG22 VAL 21 7.149 -0.537 -8.052 175 HG23 VAL 21 HG23 VAL 21 8.538 -1.008 -7.072 176 H ASP 22 H ASP 22 5.646 3.444 -7.585 177 HA ASP 22 HA ASP 22 6.595 5.485 -5.683 178 HB2 ASP 22 HB2 ASP 22 7.483 5.038 -8.342 179 HB3 ASP 22 HB3 ASP 22 6.554 6.534 -8.346 180 H ALA 23 H ALA 23 5.374 7.394 -5.536 181 HA ALA 23 HA ALA 23 2.570 7.037 -5.933 182 HB1 ALA 23 HB1 ALA 23 2.400 8.613 -4.374 183 HB2 ALA 23 HB2 ALA 23 4.162 8.613 -4.292 184 HB3 ALA 23 HB3 ALA 23 3.328 9.762 -5.338 185 H ALA 24 H ALA 24 5.109 8.786 -7.601 186 HA ALA 24 HA ALA 24 3.474 10.435 -9.202 187 HB1 ALA 24 HB1 ALA 24 5.682 11.107 -9.156 188 HB2 ALA 24 HB2 ALA 24 6.296 9.471 -9.397 189 HB3 ALA 24 HB3 ALA 24 5.565 10.345 -10.743 190 H THR 25 H THR 25 4.772 7.181 -9.689 191 HA THR 25 HA THR 25 3.720 6.936 -12.346 192 HB THR 25 HB THR 25 4.771 4.814 -10.465 193 HG1 THR 25 HG1 THR 25 5.992 6.163 -12.663 194 HG21 THR 25 HG21 THR 25 5.080 3.551 -12.655 195 HG22 THR 25 HG22 THR 25 3.970 4.723 -13.365 196 HG23 THR 25 HG23 THR 25 3.431 3.683 -12.047 197 H ALA 26 H ALA 26 2.743 5.847 -9.128 198 HA ALA 26 HA ALA 26 0.541 4.281 -9.991 199 HB1 ALA 26 HB1 ALA 26 0.430 5.521 -7.310 200 HB2 ALA 26 HB2 ALA 26 0.199 3.841 -7.798 201 HB3 ALA 26 HB3 ALA 26 1.828 4.501 -7.655 202 H GLU 27 H GLU 27 0.891 7.656 -9.018 203 HA GLU 27 HA GLU 27 -1.830 8.316 -8.874 204 HB2 GLU 27 HB2 GLU 27 -0.105 9.789 -7.997 205 HB3 GLU 27 HB3 GLU 27 0.541 10.039 -9.613 206 HG2 GLU 27 HG2 GLU 27 -2.108 10.760 -9.860 207 HG3 GLU 27 HG3 GLU 27 -1.660 11.355 -8.263 208 H LYS 28 H LYS 28 0.421 8.277 -11.591 209 HA LYS 28 HA LYS 28 -1.316 9.477 -13.475 210 HB2 LYS 28 HB2 LYS 28 1.113 7.715 -13.748 211 HB3 LYS 28 HB3 LYS 28 0.231 8.306 -15.150 212 HG2 LYS 28 HG2 LYS 28 0.647 10.611 -14.430 213 HG3 LYS 28 HG3 LYS 28 1.555 10.004 -13.043 214 HD2 LYS 28 HD2 LYS 28 3.250 9.104 -14.428 215 HD3 LYS 28 HD3 LYS 28 2.269 9.307 -15.882 216 HE2 LYS 28 HE2 LYS 28 3.177 11.307 -16.198 217 HE3 LYS 28 HE3 LYS 28 2.504 11.846 -14.661 218 HZ1 LYS 28 HZ1 LYS 28 4.597 12.068 -13.998 219 HZ2 LYS 28 HZ2 LYS 28 5.209 11.234 -15.336 220 HZ3 LYS 28 HZ3 LYS 28 4.701 10.379 -13.967 221 H VAL 29 H VAL 29 -0.886 6.189 -12.359 222 HA VAL 29 HA VAL 29 -2.163 4.778 -14.385 223 HB VAL 29 HB VAL 29 -2.220 4.209 -11.418 224 HG11 VAL 29 HG11 VAL 29 -3.800 2.736 -12.099 225 HG12 VAL 29 HG12 VAL 29 -3.240 2.739 -13.772 226 HG13 VAL 29 HG13 VAL 29 -2.382 1.792 -12.556 227 HG21 VAL 29 HG21 VAL 29 -0.025 4.348 -13.004 228 HG22 VAL 29 HG22 VAL 29 -0.165 3.306 -11.588 229 HG23 VAL 29 HG23 VAL 29 -0.473 2.653 -13.197 230 H PHE 30 H PHE 30 -3.591 6.115 -11.405 231 HA PHE 30 HA PHE 30 -6.260 5.462 -12.184 232 HB2 PHE 30 HB2 PHE 30 -6.929 6.373 -10.147 233 HB3 PHE 30 HB3 PHE 30 -5.286 5.843 -9.801 234 HD1 PHE 30 HD1 PHE 30 -7.238 8.830 -10.841 235 HD2 PHE 30 HD2 PHE 30 -3.748 7.332 -8.918 236 HE1 PHE 30 HE1 PHE 30 -6.662 11.110 -10.117 237 HE2 PHE 30 HE2 PHE 30 -3.167 9.610 -8.191 238 HZ PHE 30 HZ PHE 30 -4.625 11.502 -8.790 239 H LYS 31 H LYS 31 -4.175 8.227 -12.561 240 HA LYS 31 HA LYS 31 -6.152 10.146 -13.189 241 HB2 LYS 31 HB2 LYS 31 -3.269 9.990 -13.166 242 HB3 LYS 31 HB3 LYS 31 -3.825 10.819 -14.614 243 HG2 LYS 31 HG2 LYS 31 -4.622 11.544 -11.802 244 HG3 LYS 31 HG3 LYS 31 -3.361 12.347 -12.741 245 HD2 LYS 31 HD2 LYS 31 -6.127 12.094 -13.852 246 HD3 LYS 31 HD3 LYS 31 -5.761 13.354 -12.672 247 HE2 LYS 31 HE2 LYS 31 -3.725 13.262 -14.698 248 HE3 LYS 31 HE3 LYS 31 -5.316 13.411 -15.442 249 HZ1 LYS 31 HZ1 LYS 31 -3.939 15.260 -13.620 250 HZ2 LYS 31 HZ2 LYS 31 -5.630 15.235 -13.643 251 HZ3 LYS 31 HZ3 LYS 31 -4.770 15.590 -15.056 252 H GLN 32 H GLN 32 -4.182 8.005 -15.221 253 HA GLN 32 HA GLN 32 -5.334 8.932 -17.667 254 HB2 GLN 32 HB2 GLN 32 -3.129 8.019 -17.762 255 HB3 GLN 32 HB3 GLN 32 -3.644 6.530 -16.980 256 HG2 GLN 32 HG2 GLN 32 -5.181 6.934 -19.354 257 HG3 GLN 32 HG3 GLN 32 -3.464 7.077 -19.728 258 HE21 GLN 32 HE21 GLN 32 -5.117 5.081 -17.325 259 HE22 GLN 32 HE22 GLN 32 -4.572 3.565 -17.949 260 H TYR 33 H TYR 33 -5.788 6.062 -15.633 261 HA TYR 33 HA TYR 33 -7.644 4.746 -17.269 262 HB2 TYR 33 HB2 TYR 33 -6.384 3.960 -15.111 263 HB3 TYR 33 HB3 TYR 33 -7.810 4.572 -14.281 264 HD1 TYR 33 HD1 TYR 33 -10.059 3.596 -14.847 265 HD2 TYR 33 HD2 TYR 33 -6.419 1.873 -16.219 266 HE1 TYR 33 HE1 TYR 33 -11.238 1.488 -15.309 267 HE2 TYR 33 HE2 TYR 33 -7.588 -0.239 -16.686 268 HH TYR 33 HH TYR 33 -10.644 -0.598 -17.099 269 H ALA 34 H ALA 34 -8.086 7.141 -14.706 270 HA ALA 34 HA ALA 34 -10.938 7.061 -14.777 271 HB1 ALA 34 HB1 ALA 34 -10.886 8.867 -13.251 272 HB2 ALA 34 HB2 ALA 34 -9.514 7.836 -12.841 273 HB3 ALA 34 HB3 ALA 34 -9.256 9.330 -13.742 274 H ASN 35 H ASN 35 -8.500 9.269 -16.120 275 HA ASN 35 HA ASN 35 -10.298 11.085 -17.288 276 HB2 ASN 35 HB2 ASN 35 -8.091 11.852 -17.105 277 HB3 ASN 35 HB3 ASN 35 -7.423 10.385 -17.815 278 HD21 ASN 35 HD21 ASN 35 -6.514 10.836 -19.676 279 HD22 ASN 35 HD22 ASN 35 -7.147 11.884 -20.895 280 H ASP 36 H ASP 36 -8.732 8.180 -18.575 281 HA ASP 36 HA ASP 36 -9.624 8.385 -21.217 282 HB2 ASP 36 HB2 ASP 36 -8.755 6.109 -19.476 283 HB3 ASP 36 HB3 ASP 36 -9.458 5.765 -21.054 284 H ASN 37 H ASN 37 -11.294 7.498 -18.324 285 HA ASN 37 HA ASN 37 -13.480 6.193 -19.683 286 HB2 ASN 37 HB2 ASN 37 -12.539 5.994 -17.160 287 HB3 ASN 37 HB3 ASN 37 -13.845 7.147 -16.902 288 HD21 ASN 37 HD21 ASN 37 -15.712 6.292 -18.698 289 HD22 ASN 37 HD22 ASN 37 -16.263 4.714 -18.261 290 H GLY 38 H GLY 38 -12.548 9.361 -19.290 291 HA2 GLY 38 HA2 GLY 38 -13.638 11.291 -19.960 292 HA3 GLY 38 HA3 GLY 38 -15.085 10.334 -20.238 293 H VAL 39 H VAL 39 -13.515 10.131 -17.163 294 HA VAL 39 HA VAL 39 -15.833 10.915 -15.755 295 HB VAL 39 HB VAL 39 -14.103 9.403 -14.825 296 HG11 VAL 39 HG11 VAL 39 -12.390 11.574 -13.877 297 HG12 VAL 39 HG12 VAL 39 -11.962 9.986 -14.516 298 HG13 VAL 39 HG13 VAL 39 -12.318 11.315 -15.620 299 HG21 VAL 39 HG21 VAL 39 -14.115 10.363 -12.539 300 HG22 VAL 39 HG22 VAL 39 -14.724 11.875 -13.212 301 HG23 VAL 39 HG23 VAL 39 -15.695 10.407 -13.320 302 H ASP 40 H ASP 40 -16.526 12.840 -15.063 303 HA ASP 40 HA ASP 40 -14.667 15.121 -15.176 304 HB2 ASP 40 HB2 ASP 40 -16.403 14.970 -17.078 305 HB3 ASP 40 HB3 ASP 40 -17.589 15.387 -15.845 306 H GLY 41 H GLY 41 -14.731 16.525 -13.489 307 HA2 GLY 41 HA2 GLY 41 -16.635 17.313 -11.799 308 HA3 GLY 41 HA3 GLY 41 -16.306 15.700 -11.183 309 H GLU 42 H GLU 42 -15.238 15.990 -9.330 310 HA GLU 42 HA GLU 42 -12.813 17.657 -9.409 311 HB2 GLU 42 HB2 GLU 42 -14.843 18.588 -8.091 312 HB3 GLU 42 HB3 GLU 42 -14.448 17.349 -6.909 313 HG2 GLU 42 HG2 GLU 42 -12.541 18.385 -6.245 314 HG3 GLU 42 HG3 GLU 42 -12.252 19.111 -7.825 315 H TRP 43 H TRP 43 -11.051 16.933 -8.191 316 HA TRP 43 HA TRP 43 -11.215 14.099 -7.419 317 HB2 TRP 43 HB2 TRP 43 -8.963 15.786 -8.485 318 HB3 TRP 43 HB3 TRP 43 -8.647 14.269 -7.647 319 HD1 TRP 43 HD1 TRP 43 -10.134 15.644 -10.893 320 HE1 TRP 43 HE1 TRP 43 -10.340 13.715 -12.585 321 HE3 TRP 43 HE3 TRP 43 -8.920 11.740 -7.824 322 HZ2 TRP 43 HZ2 TRP 43 -10.029 10.909 -12.614 323 HZ3 TRP 43 HZ3 TRP 43 -8.898 9.465 -8.762 324 HH2 TRP 43 HH2 TRP 43 -9.442 9.060 -11.107 325 H THR 44 H THR 44 -10.632 13.442 -5.413 326 HA THR 44 HA THR 44 -9.819 15.545 -3.513 327 HB THR 44 HB THR 44 -11.025 13.083 -2.417 328 HG1 THR 44 HG1 THR 44 -12.417 14.847 -4.134 329 HG21 THR 44 HG21 THR 44 -11.430 14.438 -0.682 330 HG22 THR 44 HG22 THR 44 -12.188 15.654 -1.710 331 HG23 THR 44 HG23 THR 44 -10.436 15.631 -1.516 332 H TYR 45 H TYR 45 -8.327 15.007 -1.873 333 HA TYR 45 HA TYR 45 -6.864 12.486 -2.247 334 HB2 TYR 45 HB2 TYR 45 -4.748 13.861 -1.786 335 HB3 TYR 45 HB3 TYR 45 -5.467 13.998 -3.387 336 HD1 TYR 45 HD1 TYR 45 -4.633 15.740 -0.314 337 HD2 TYR 45 HD2 TYR 45 -6.735 16.037 -4.002 338 HE1 TYR 45 HE1 TYR 45 -4.743 18.182 -0.048 339 HE2 TYR 45 HE2 TYR 45 -6.849 18.481 -3.746 340 HH TYR 45 HH TYR 45 -5.182 20.257 -2.268 341 H ASP 46 H ASP 46 -7.023 11.410 -0.402 342 HA ASP 46 HA ASP 46 -7.130 12.899 2.124 343 HB2 ASP 46 HB2 ASP 46 -7.774 9.988 1.611 344 HB3 ASP 46 HB3 ASP 46 -8.053 10.874 3.108 345 H ASP 47 H ASP 47 -5.050 13.288 2.696 346 HA ASP 47 HA ASP 47 -2.898 11.505 2.305 347 HB2 ASP 47 HB2 ASP 47 -1.583 13.050 3.464 348 HB3 ASP 47 HB3 ASP 47 -2.868 14.049 2.792 349 H ALA 48 H ALA 48 -5.450 11.461 4.520 350 HA ALA 48 HA ALA 48 -4.127 10.263 6.741 351 HB1 ALA 48 HB1 ALA 48 -6.390 9.735 7.533 352 HB2 ALA 48 HB2 ALA 48 -6.244 11.417 7.021 353 HB3 ALA 48 HB3 ALA 48 -7.044 10.244 5.975 354 H THR 49 H THR 49 -6.028 8.972 4.035 355 HA THR 49 HA THR 49 -5.099 6.272 4.759 356 HB THR 49 HB THR 49 -6.989 5.462 3.312 357 HG1 THR 49 HG1 THR 49 -7.147 7.749 2.370 358 HG21 THR 49 HG21 THR 49 -7.431 5.295 5.592 359 HG22 THR 49 HG22 THR 49 -8.790 6.251 5.002 360 HG23 THR 49 HG23 THR 49 -7.442 7.043 5.818 361 H LYS 50 H LYS 50 -4.184 8.673 2.852 362 HA LYS 50 HA LYS 50 -3.124 8.897 0.844 363 HB2 LYS 50 HB2 LYS 50 -2.362 6.000 1.159 364 HB3 LYS 50 HB3 LYS 50 -1.436 7.295 0.411 365 HG2 LYS 50 HG2 LYS 50 -2.071 7.108 3.348 366 HG3 LYS 50 HG3 LYS 50 -0.549 6.616 2.603 367 HD2 LYS 50 HD2 LYS 50 -0.264 8.937 1.772 368 HD3 LYS 50 HD3 LYS 50 -1.725 9.395 2.651 369 HE2 LYS 50 HE2 LYS 50 -0.690 8.797 4.752 370 HE3 LYS 50 HE3 LYS 50 0.740 8.197 3.913 371 HZ1 LYS 50 HZ1 LYS 50 0.180 10.816 4.761 372 HZ2 LYS 50 HZ2 LYS 50 0.311 10.819 3.075 373 HZ3 LYS 50 HZ3 LYS 50 1.582 10.226 4.021 374 H THR 51 H THR 51 -5.824 8.336 0.538 375 HA THR 51 HA THR 51 -5.805 6.708 -1.919 376 HB THR 51 HB THR 51 -7.034 5.605 -0.023 377 HG1 THR 51 HG1 THR 51 -7.635 5.013 -2.083 378 HG21 THR 51 HG21 THR 51 -8.796 6.556 1.036 379 HG22 THR 51 HG22 THR 51 -9.338 7.411 -0.408 380 HG23 THR 51 HG23 THR 51 -8.004 8.055 0.549 381 H PHE 52 H PHE 52 -6.804 7.551 -3.688 382 HA PHE 52 HA PHE 52 -7.809 10.299 -3.420 383 HB2 PHE 52 HB2 PHE 52 -6.806 8.865 -5.889 384 HB3 PHE 52 HB3 PHE 52 -7.288 10.556 -5.799 385 HD1 PHE 52 HD1 PHE 52 -5.795 12.213 -5.040 386 HD2 PHE 52 HD2 PHE 52 -4.787 8.097 -4.648 387 HE1 PHE 52 HE1 PHE 52 -3.492 12.838 -4.442 388 HE2 PHE 52 HE2 PHE 52 -2.483 8.715 -4.047 389 HZ PHE 52 HZ PHE 52 -1.833 11.088 -3.943 390 H THR 53 H THR 53 -9.642 10.952 -4.692 391 HA THR 53 HA THR 53 -11.351 8.828 -5.731 392 HB THR 53 HB THR 53 -11.938 9.069 -3.317 393 HG1 THR 53 HG1 THR 53 -13.925 9.912 -5.182 394 HG21 THR 53 HG21 THR 53 -13.457 11.481 -3.509 395 HG22 THR 53 HG22 THR 53 -11.779 11.828 -3.928 396 HG23 THR 53 HG23 THR 53 -12.165 11.076 -2.380 397 H VAL 54 H VAL 54 -13.101 9.604 -7.038 398 HA VAL 54 HA VAL 54 -12.899 12.432 -7.822 399 HB VAL 54 HB VAL 54 -11.659 11.215 -9.496 400 HG11 VAL 54 HG11 VAL 54 -12.149 9.139 -10.120 401 HG12 VAL 54 HG12 VAL 54 -13.496 9.165 -8.981 402 HG13 VAL 54 HG13 VAL 54 -13.753 9.630 -10.663 403 HG21 VAL 54 HG21 VAL 54 -14.348 11.771 -10.718 404 HG22 VAL 54 HG22 VAL 54 -13.294 13.059 -10.134 405 HG23 VAL 54 HG23 VAL 54 -12.750 11.995 -11.431 406 H THR 55 H THR 55 -14.805 13.370 -7.567 407 HA THR 55 HA THR 55 -17.240 11.741 -7.875 408 HB THR 55 HB THR 55 -16.797 14.253 -6.252 409 HG1 THR 55 HG1 THR 55 -16.212 11.895 -5.585 410 HG21 THR 55 HG21 THR 55 -19.307 12.667 -6.785 411 HG22 THR 55 HG22 THR 55 -19.015 14.371 -7.135 412 HG23 THR 55 HG23 THR 55 -19.143 13.823 -5.464 413 H GLU 56 H GLU 56 -18.793 12.342 -9.292 414 HA GLU 56 HA GLU 56 -18.127 14.422 -11.192 415 HB2 GLU 56 HB2 GLU 56 -20.298 12.340 -11.057 416 HB3 GLU 56 HB3 GLU 56 -20.301 13.603 -12.279 417 HG2 GLU 56 HG2 GLU 56 -17.732 12.521 -12.349 418 HG3 GLU 56 HG3 GLU 56 -18.820 11.143 -12.190 Start of MODEL 19 1 H MET 1 H MET 1 0.720 -1.281 0.571 2 HA MET 1 HA MET 1 2.458 0.186 -1.082 3 HB2 MET 1 HB2 MET 1 2.164 -2.465 -0.389 4 HB3 MET 1 HB3 MET 1 1.743 -2.465 -2.097 5 HG2 MET 1 HG2 MET 1 3.856 -1.519 -2.687 6 HG3 MET 1 HG3 MET 1 4.269 -1.268 -0.992 7 HE1 MET 1 HE1 MET 1 4.237 -4.928 -3.551 8 HE2 MET 1 HE2 MET 1 2.888 -5.103 -2.429 9 HE3 MET 1 HE3 MET 1 2.995 -3.679 -3.465 10 H GLN 2 H GLN 2 -0.743 -1.178 -1.644 11 HA GLN 2 HA GLN 2 -0.750 0.064 -4.313 12 HB2 GLN 2 HB2 GLN 2 -2.577 -1.507 -4.863 13 HB3 GLN 2 HB3 GLN 2 -1.087 -2.332 -4.428 14 HG2 GLN 2 HG2 GLN 2 -2.750 -3.541 -3.347 15 HG3 GLN 2 HG3 GLN 2 -2.073 -2.513 -2.085 16 HE21 GLN 2 HE21 GLN 2 -4.455 -1.971 -4.658 17 HE22 GLN 2 HE22 GLN 2 -5.706 -1.396 -3.614 18 H TYR 3 H TYR 3 -2.529 1.298 -4.959 19 HA TYR 3 HA TYR 3 -4.248 2.212 -2.746 20 HB2 TYR 3 HB2 TYR 3 -3.537 3.849 -5.176 21 HB3 TYR 3 HB3 TYR 3 -4.241 4.403 -3.662 22 HD1 TYR 3 HD1 TYR 3 -2.821 4.431 -1.593 23 HD2 TYR 3 HD2 TYR 3 -1.191 3.706 -5.456 24 HE1 TYR 3 HE1 TYR 3 -0.576 4.959 -0.738 25 HE2 TYR 3 HE2 TYR 3 1.059 4.230 -4.611 26 HH TYR 3 HH TYR 3 2.287 4.721 -2.824 27 H LYS 4 H LYS 4 -6.396 2.960 -3.349 28 HA LYS 4 HA LYS 4 -7.422 1.665 -5.788 29 HB2 LYS 4 HB2 LYS 4 -9.330 0.864 -4.643 30 HB3 LYS 4 HB3 LYS 4 -7.959 0.453 -3.620 31 HG2 LYS 4 HG2 LYS 4 -8.626 2.866 -2.606 32 HG3 LYS 4 HG3 LYS 4 -10.206 2.280 -3.131 33 HD2 LYS 4 HD2 LYS 4 -10.164 1.359 -1.049 34 HD3 LYS 4 HD3 LYS 4 -9.347 0.067 -1.932 35 HE2 LYS 4 HE2 LYS 4 -7.181 0.994 -1.291 36 HE3 LYS 4 HE3 LYS 4 -7.988 2.305 -0.432 37 HZ1 LYS 4 HZ1 LYS 4 -7.342 -0.248 0.515 38 HZ2 LYS 4 HZ2 LYS 4 -9.028 -0.119 0.496 39 HZ3 LYS 4 HZ3 LYS 4 -8.103 1.014 1.345 40 H LEU 5 H LEU 5 -8.814 2.828 -7.011 41 HA LEU 5 HA LEU 5 -9.293 5.594 -6.186 42 HB2 LEU 5 HB2 LEU 5 -8.467 4.477 -8.568 43 HB3 LEU 5 HB3 LEU 5 -10.165 4.846 -8.862 44 HG LEU 5 HG LEU 5 -8.684 6.644 -9.618 45 HD11 LEU 5 HD11 LEU 5 -10.106 8.286 -8.986 46 HD12 LEU 5 HD12 LEU 5 -10.013 7.864 -7.276 47 HD13 LEU 5 HD13 LEU 5 -11.026 6.915 -8.364 48 HD21 LEU 5 HD21 LEU 5 -7.299 7.879 -8.173 49 HD22 LEU 5 HD22 LEU 5 -6.963 6.187 -7.804 50 HD23 LEU 5 HD23 LEU 5 -7.997 7.136 -6.734 51 H ILE 6 H ILE 6 -11.266 6.387 -5.756 52 HA ILE 6 HA ILE 6 -13.536 4.533 -5.956 53 HB ILE 6 HB ILE 6 -13.255 7.022 -4.269 54 HG12 ILE 6 HG12 ILE 6 -13.587 4.680 -2.708 55 HG13 ILE 6 HG13 ILE 6 -12.324 4.335 -3.885 56 HG21 ILE 6 HG21 ILE 6 -15.493 5.138 -4.780 57 HG22 ILE 6 HG22 ILE 6 -15.294 5.769 -3.146 58 HG23 ILE 6 HG23 ILE 6 -15.520 6.879 -4.498 59 HD11 ILE 6 HD11 ILE 6 -10.982 5.267 -2.362 60 HD12 ILE 6 HD12 ILE 6 -11.580 6.792 -3.017 61 HD13 ILE 6 HD13 ILE 6 -12.307 6.111 -1.562 62 H LEU 7 H LEU 7 -14.852 4.843 -7.617 63 HA LEU 7 HA LEU 7 -15.044 7.501 -8.829 64 HB2 LEU 7 HB2 LEU 7 -16.182 4.912 -9.859 65 HB3 LEU 7 HB3 LEU 7 -15.973 6.421 -10.746 66 HG LEU 7 HG LEU 7 -13.602 4.940 -9.663 67 HD11 LEU 7 HD11 LEU 7 -13.423 3.875 -11.913 68 HD12 LEU 7 HD12 LEU 7 -15.080 4.389 -12.228 69 HD13 LEU 7 HD13 LEU 7 -14.742 3.260 -10.916 70 HD21 LEU 7 HD21 LEU 7 -12.597 6.709 -10.558 71 HD22 LEU 7 HD22 LEU 7 -14.094 7.264 -11.308 72 HD23 LEU 7 HD23 LEU 7 -13.074 6.089 -12.139 73 H ASN 8 H ASN 8 -16.598 8.758 -8.044 74 HA ASN 8 HA ASN 8 -19.140 7.520 -7.228 75 HB2 ASN 8 HB2 ASN 8 -17.729 8.900 -5.567 76 HB3 ASN 8 HB3 ASN 8 -18.266 10.304 -6.484 77 HD21 ASN 8 HD21 ASN 8 -20.670 10.425 -6.815 78 HD22 ASN 8 HD22 ASN 8 -21.664 10.012 -5.463 79 H GLY 9 H GLY 9 -19.496 7.518 -9.658 80 HA2 GLY 9 HA2 GLY 9 -20.118 10.102 -10.824 81 HA3 GLY 9 HA3 GLY 9 -20.253 8.539 -11.615 82 H LYS 10 H LYS 10 -22.149 10.781 -11.526 83 HA LYS 10 HA LYS 10 -24.333 9.905 -9.856 84 HB2 LYS 10 HB2 LYS 10 -24.483 11.923 -12.090 85 HB3 LYS 10 HB3 LYS 10 -25.522 11.792 -10.676 86 HG2 LYS 10 HG2 LYS 10 -22.631 12.632 -10.710 87 HG3 LYS 10 HG3 LYS 10 -24.033 13.667 -10.429 88 HD2 LYS 10 HD2 LYS 10 -24.561 12.195 -8.442 89 HD3 LYS 10 HD3 LYS 10 -22.969 11.467 -8.669 90 HE2 LYS 10 HE2 LYS 10 -22.755 13.173 -7.017 91 HE3 LYS 10 HE3 LYS 10 -21.988 13.760 -8.492 92 HZ1 LYS 10 HZ1 LYS 10 -24.788 14.430 -7.813 93 HZ2 LYS 10 HZ2 LYS 10 -23.767 15.195 -8.923 94 HZ3 LYS 10 HZ3 LYS 10 -23.489 15.363 -7.263 95 H THR 11 H THR 11 -23.211 9.323 -13.057 96 HA THR 11 HA THR 11 -25.773 8.069 -13.784 97 HB THR 11 HB THR 11 -25.156 9.643 -15.459 98 HG1 THR 11 HG1 THR 11 -25.732 7.392 -16.122 99 HG21 THR 11 HG21 THR 11 -23.016 10.262 -15.614 100 HG22 THR 11 HG22 THR 11 -22.733 8.791 -16.544 101 HG23 THR 11 HG23 THR 11 -22.470 8.797 -14.800 102 H LEU 12 H LEU 12 -22.515 7.434 -12.948 103 HA LEU 12 HA LEU 12 -22.977 4.583 -13.201 104 HB2 LEU 12 HB2 LEU 12 -20.526 4.539 -14.232 105 HB3 LEU 12 HB3 LEU 12 -21.980 4.583 -15.227 106 HG LEU 12 HG LEU 12 -21.705 6.968 -15.574 107 HD11 LEU 12 HD11 LEU 12 -19.389 7.881 -14.786 108 HD12 LEU 12 HD12 LEU 12 -19.538 6.630 -13.553 109 HD13 LEU 12 HD13 LEU 12 -20.768 7.886 -13.687 110 HD21 LEU 12 HD21 LEU 12 -19.143 6.678 -16.453 111 HD22 LEU 12 HD22 LEU 12 -20.578 6.126 -17.318 112 HD23 LEU 12 HD23 LEU 12 -19.666 4.999 -16.312 113 H LYS 13 H LYS 13 -21.772 3.362 -11.780 114 HA LYS 13 HA LYS 13 -19.867 4.819 -10.072 115 HB2 LYS 13 HB2 LYS 13 -22.113 2.991 -9.233 116 HB3 LYS 13 HB3 LYS 13 -20.757 3.362 -8.176 117 HG2 LYS 13 HG2 LYS 13 -22.527 5.466 -9.393 118 HG3 LYS 13 HG3 LYS 13 -22.820 4.736 -7.813 119 HD2 LYS 13 HD2 LYS 13 -20.080 5.671 -8.143 120 HD3 LYS 13 HD3 LYS 13 -21.272 6.962 -8.310 121 HE2 LYS 13 HE2 LYS 13 -20.449 6.619 -5.981 122 HE3 LYS 13 HE3 LYS 13 -22.197 6.480 -6.160 123 HZ1 LYS 13 HZ1 LYS 13 -20.513 4.070 -6.298 124 HZ2 LYS 13 HZ2 LYS 13 -22.137 4.214 -5.848 125 HZ3 LYS 13 HZ3 LYS 13 -20.919 4.725 -4.792 126 H GLY 14 H GLY 14 -18.176 3.585 -9.171 127 HA2 GLY 14 HA2 GLY 14 -17.881 0.805 -9.447 128 HA3 GLY 14 HA3 GLY 14 -17.129 1.578 -10.834 129 H GLU 15 H GLU 15 -15.428 0.181 -9.455 130 HA GLU 15 HA GLU 15 -13.893 2.186 -7.955 131 HB2 GLU 15 HB2 GLU 15 -15.084 -0.089 -6.814 132 HB3 GLU 15 HB3 GLU 15 -13.374 -0.473 -6.957 133 HG2 GLU 15 HG2 GLU 15 -12.942 0.732 -5.161 134 HG3 GLU 15 HG3 GLU 15 -13.593 2.167 -5.951 135 H THR 16 H THR 16 -11.586 1.774 -7.903 136 HA THR 16 HA THR 16 -10.598 -0.118 -9.907 137 HB THR 16 HB THR 16 -9.007 2.171 -10.248 138 HG1 THR 16 HG1 THR 16 -11.652 2.944 -10.806 139 HG21 THR 16 HG21 THR 16 -9.432 0.576 -11.994 140 HG22 THR 16 HG22 THR 16 -10.014 2.150 -12.536 141 HG23 THR 16 HG23 THR 16 -11.157 0.934 -11.966 142 H THR 17 H THR 17 -8.212 -0.352 -9.821 143 HA THR 17 HA THR 17 -6.927 0.519 -7.364 144 HB THR 17 HB THR 17 -6.363 -2.273 -7.573 145 HG1 THR 17 HG1 THR 17 -8.402 -3.143 -7.291 146 HG21 THR 17 HG21 THR 17 -6.171 -0.781 -5.576 147 HG22 THR 17 HG22 THR 17 -7.015 -2.297 -5.262 148 HG23 THR 17 HG23 THR 17 -7.929 -0.802 -5.454 149 H THR 18 H THR 18 -4.678 0.416 -7.432 150 HA THR 18 HA THR 18 -3.412 -0.698 -9.815 151 HB THR 18 HB THR 18 -3.113 2.201 -9.010 152 HG1 THR 18 HG1 THR 18 -3.948 2.514 -11.164 153 HG21 THR 18 HG21 THR 18 -1.583 2.373 -10.919 154 HG22 THR 18 HG22 THR 18 -1.721 0.635 -11.186 155 HG23 THR 18 HG23 THR 18 -0.974 1.244 -9.709 156 H GLU 19 H GLU 19 -1.264 -1.253 -9.542 157 HA GLU 19 HA GLU 19 -0.295 -1.114 -6.771 158 HB2 GLU 19 HB2 GLU 19 1.156 -3.025 -7.396 159 HB3 GLU 19 HB3 GLU 19 -0.557 -3.376 -7.577 160 HG2 GLU 19 HG2 GLU 19 0.415 -2.346 -10.041 161 HG3 GLU 19 HG3 GLU 19 1.504 -3.619 -9.493 162 H ALA 20 H ALA 20 1.344 0.187 -6.318 163 HA ALA 20 HA ALA 20 3.496 0.596 -8.213 164 HB1 ALA 20 HB1 ALA 20 3.154 3.188 -7.673 165 HB2 ALA 20 HB2 ALA 20 2.439 2.402 -9.080 166 HB3 ALA 20 HB3 ALA 20 1.469 2.670 -7.632 167 H VAL 21 H VAL 21 5.364 1.567 -7.271 168 HA VAL 21 HA VAL 21 5.657 0.946 -4.482 169 HB VAL 21 HB VAL 21 7.660 2.305 -6.287 170 HG11 VAL 21 HG11 VAL 21 9.109 0.839 -4.570 171 HG12 VAL 21 HG12 VAL 21 8.651 2.515 -4.263 172 HG13 VAL 21 HG13 VAL 21 7.718 1.200 -3.548 173 HG21 VAL 21 HG21 VAL 21 6.986 -0.596 -5.915 174 HG22 VAL 21 HG22 VAL 21 7.167 0.314 -7.415 175 HG23 VAL 21 HG23 VAL 21 8.587 -0.079 -6.446 176 H ASP 22 H ASP 22 4.810 3.720 -6.266 177 HA ASP 22 HA ASP 22 4.907 5.329 -3.830 178 HB2 ASP 22 HB2 ASP 22 6.656 5.711 -6.084 179 HB3 ASP 22 HB3 ASP 22 5.594 7.105 -5.911 180 H ALA 23 H ALA 23 3.522 7.217 -3.913 181 HA ALA 23 HA ALA 23 1.046 6.664 -5.214 182 HB1 ALA 23 HB1 ALA 23 0.956 9.295 -4.273 183 HB2 ALA 23 HB2 ALA 23 0.361 7.845 -3.463 184 HB3 ALA 23 HB3 ALA 23 1.997 8.423 -3.148 185 H ALA 24 H ALA 24 3.819 8.581 -5.989 186 HA ALA 24 HA ALA 24 2.677 10.457 -7.731 187 HB1 ALA 24 HB1 ALA 24 4.889 10.791 -8.599 188 HB2 ALA 24 HB2 ALA 24 5.001 10.535 -6.857 189 HB3 ALA 24 HB3 ALA 24 5.420 9.231 -7.969 190 H THR 25 H THR 25 3.807 7.155 -8.278 191 HA THR 25 HA THR 25 3.367 7.243 -11.111 192 HB THR 25 HB THR 25 3.723 4.827 -9.326 193 HG1 THR 25 HG1 THR 25 5.664 6.211 -10.890 194 HG21 THR 25 HG21 THR 25 4.718 4.527 -11.995 195 HG22 THR 25 HG22 THR 25 3.028 5.029 -12.052 196 HG23 THR 25 HG23 THR 25 3.489 3.582 -11.157 197 H ALA 26 H ALA 26 1.558 6.134 -8.304 198 HA ALA 26 HA ALA 26 -0.493 4.808 -9.761 199 HB1 ALA 26 HB1 ALA 26 0.212 4.784 -7.185 200 HB2 ALA 26 HB2 ALA 26 -1.124 5.934 -7.100 201 HB3 ALA 26 HB3 ALA 26 -1.394 4.314 -7.743 202 H GLU 27 H GLU 27 -0.090 8.086 -8.522 203 HA GLU 27 HA GLU 27 -2.708 8.997 -8.990 204 HB2 GLU 27 HB2 GLU 27 -1.143 10.237 -7.594 205 HB3 GLU 27 HB3 GLU 27 -0.100 10.526 -8.980 206 HG2 GLU 27 HG2 GLU 27 -2.807 11.432 -9.457 207 HG3 GLU 27 HG3 GLU 27 -2.093 12.187 -8.033 208 H LYS 28 H LYS 28 0.220 9.265 -10.997 209 HA LYS 28 HA LYS 28 -0.975 10.575 -13.167 210 HB2 LYS 28 HB2 LYS 28 0.963 9.692 -14.478 211 HB3 LYS 28 HB3 LYS 28 1.415 10.512 -12.989 212 HG2 LYS 28 HG2 LYS 28 1.655 8.315 -11.891 213 HG3 LYS 28 HG3 LYS 28 1.296 7.536 -13.433 214 HD2 LYS 28 HD2 LYS 28 3.303 9.341 -14.050 215 HD3 LYS 28 HD3 LYS 28 3.774 8.706 -12.472 216 HE2 LYS 28 HE2 LYS 28 4.158 6.628 -13.277 217 HE3 LYS 28 HE3 LYS 28 2.832 6.717 -14.435 218 HZ1 LYS 28 HZ1 LYS 28 4.923 6.644 -15.590 219 HZ2 LYS 28 HZ2 LYS 28 5.505 7.976 -14.725 220 HZ3 LYS 28 HZ3 LYS 28 4.226 8.169 -15.814 221 H VAL 29 H VAL 29 -0.529 7.124 -12.499 222 HA VAL 29 HA VAL 29 -1.565 6.178 -14.948 223 HB VAL 29 HB VAL 29 -1.446 4.838 -12.243 224 HG11 VAL 29 HG11 VAL 29 -2.859 3.355 -13.150 225 HG12 VAL 29 HG12 VAL 29 -2.619 3.982 -14.783 226 HG13 VAL 29 HG13 VAL 29 -1.467 2.834 -14.099 227 HG21 VAL 29 HG21 VAL 29 0.672 5.582 -13.584 228 HG22 VAL 29 HG22 VAL 29 0.606 3.982 -12.845 229 HG23 VAL 29 HG23 VAL 29 0.298 4.169 -14.571 230 H PHE 30 H PHE 30 -3.084 6.661 -11.771 231 HA PHE 30 HA PHE 30 -5.637 5.726 -12.473 232 HB2 PHE 30 HB2 PHE 30 -4.561 7.485 -10.309 233 HB3 PHE 30 HB3 PHE 30 -6.304 7.392 -10.536 234 HD1 PHE 30 HD1 PHE 30 -6.890 4.683 -11.112 235 HD2 PHE 30 HD2 PHE 30 -3.922 6.248 -8.492 236 HE1 PHE 30 HE1 PHE 30 -6.948 2.598 -9.805 237 HE2 PHE 30 HE2 PHE 30 -3.975 4.166 -7.182 238 HZ PHE 30 HZ PHE 30 -5.489 2.337 -7.838 239 H LYS 31 H LYS 31 -4.317 9.026 -12.425 240 HA LYS 31 HA LYS 31 -6.672 10.280 -13.366 241 HB2 LYS 31 HB2 LYS 31 -3.880 11.046 -12.864 242 HB3 LYS 31 HB3 LYS 31 -4.652 11.955 -14.157 243 HG2 LYS 31 HG2 LYS 31 -5.780 11.646 -11.383 244 HG3 LYS 31 HG3 LYS 31 -4.831 13.028 -11.936 245 HD2 LYS 31 HD2 LYS 31 -7.442 12.107 -13.138 246 HD3 LYS 31 HD3 LYS 31 -7.253 13.463 -12.023 247 HE2 LYS 31 HE2 LYS 31 -5.391 13.948 -14.024 248 HE3 LYS 31 HE3 LYS 31 -6.800 13.331 -14.884 249 HZ1 LYS 31 HZ1 LYS 31 -7.663 15.348 -14.697 250 HZ2 LYS 31 HZ2 LYS 31 -6.410 15.871 -13.688 251 HZ3 LYS 31 HZ3 LYS 31 -7.773 15.119 -13.024 252 H GLN 32 H GLN 32 -3.920 8.817 -14.971 253 HA GLN 32 HA GLN 32 -4.403 9.845 -17.558 254 HB2 GLN 32 HB2 GLN 32 -2.259 8.868 -16.978 255 HB3 GLN 32 HB3 GLN 32 -3.015 7.308 -16.679 256 HG2 GLN 32 HG2 GLN 32 -3.681 8.142 -19.314 257 HG3 GLN 32 HG3 GLN 32 -1.940 8.312 -19.089 258 HE21 GLN 32 HE21 GLN 32 -4.236 5.975 -17.751 259 HE22 GLN 32 HE22 GLN 32 -3.454 4.575 -18.392 260 H TYR 33 H TYR 33 -5.352 6.793 -16.005 261 HA TYR 33 HA TYR 33 -6.781 5.821 -18.267 262 HB2 TYR 33 HB2 TYR 33 -5.827 4.575 -16.144 263 HB3 TYR 33 HB3 TYR 33 -7.429 4.907 -15.496 264 HD1 TYR 33 HD1 TYR 33 -5.717 3.374 -18.427 265 HD2 TYR 33 HD2 TYR 33 -9.206 3.482 -15.994 266 HE1 TYR 33 HE1 TYR 33 -6.595 1.405 -19.610 267 HE2 TYR 33 HE2 TYR 33 -10.093 1.513 -17.170 268 HH TYR 33 HH TYR 33 -9.849 0.300 -19.174 269 H ALA 34 H ALA 34 -7.591 7.833 -15.542 270 HA ALA 34 HA ALA 34 -10.425 7.607 -15.798 271 HB1 ALA 34 HB1 ALA 34 -8.998 8.398 -13.775 272 HB2 ALA 34 HB2 ALA 34 -9.101 9.978 -14.553 273 HB3 ALA 34 HB3 ALA 34 -10.573 9.134 -14.074 274 H ASN 35 H ASN 35 -8.050 10.054 -16.808 275 HA ASN 35 HA ASN 35 -9.923 11.788 -18.020 276 HB2 ASN 35 HB2 ASN 35 -8.112 13.062 -18.649 277 HB3 ASN 35 HB3 ASN 35 -7.383 12.120 -17.352 278 HD21 ASN 35 HD21 ASN 35 -7.689 12.464 -20.816 279 HD22 ASN 35 HD22 ASN 35 -6.268 11.569 -21.224 280 H ASP 36 H ASP 36 -8.129 9.009 -19.180 281 HA ASP 36 HA ASP 36 -8.499 9.333 -21.931 282 HB2 ASP 36 HB2 ASP 36 -7.141 7.556 -20.522 283 HB3 ASP 36 HB3 ASP 36 -8.604 6.598 -20.732 284 H ASN 37 H ASN 37 -10.732 8.506 -19.456 285 HA ASN 37 HA ASN 37 -12.673 7.430 -21.356 286 HB2 ASN 37 HB2 ASN 37 -12.201 6.496 -18.971 287 HB3 ASN 37 HB3 ASN 37 -13.206 7.836 -18.428 288 HD21 ASN 37 HD21 ASN 37 -13.152 5.034 -20.563 289 HD22 ASN 37 HD22 ASN 37 -14.849 4.716 -20.484 290 H GLY 38 H GLY 38 -11.743 10.402 -20.172 291 HA2 GLY 38 HA2 GLY 38 -12.674 12.478 -20.622 292 HA3 GLY 38 HA3 GLY 38 -14.103 11.667 -21.247 293 H VAL 39 H VAL 39 -12.929 10.835 -18.098 294 HA VAL 39 HA VAL 39 -15.385 11.448 -16.850 295 HB VAL 39 HB VAL 39 -13.803 9.728 -16.018 296 HG11 VAL 39 HG11 VAL 39 -11.906 11.684 -16.230 297 HG12 VAL 39 HG12 VAL 39 -12.190 11.628 -14.489 298 HG13 VAL 39 HG13 VAL 39 -11.710 10.167 -15.353 299 HG21 VAL 39 HG21 VAL 39 -14.241 11.735 -13.835 300 HG22 VAL 39 HG22 VAL 39 -15.602 10.934 -14.621 301 HG23 VAL 39 HG23 VAL 39 -14.385 9.978 -13.775 302 H ASP 40 H ASP 40 -16.126 13.249 -15.918 303 HA ASP 40 HA ASP 40 -14.227 15.435 -15.387 304 HB2 ASP 40 HB2 ASP 40 -15.680 15.719 -17.482 305 HB3 ASP 40 HB3 ASP 40 -17.035 15.907 -16.372 306 H GLY 41 H GLY 41 -14.669 16.751 -13.610 307 HA2 GLY 41 HA2 GLY 41 -16.786 17.128 -12.049 308 HA3 GLY 41 HA3 GLY 41 -16.358 15.483 -11.601 309 H GLU 42 H GLU 42 -15.524 15.630 -9.613 310 HA GLU 42 HA GLU 42 -13.333 17.557 -9.201 311 HB2 GLU 42 HB2 GLU 42 -15.505 18.004 -7.932 312 HB3 GLU 42 HB3 GLU 42 -15.141 16.552 -7.009 313 HG2 GLU 42 HG2 GLU 42 -13.627 17.595 -5.756 314 HG3 GLU 42 HG3 GLU 42 -12.898 18.397 -7.146 315 H TRP 43 H TRP 43 -11.559 16.869 -7.984 316 HA TRP 43 HA TRP 43 -11.403 13.954 -7.572 317 HB2 TRP 43 HB2 TRP 43 -9.411 15.903 -8.683 318 HB3 TRP 43 HB3 TRP 43 -8.853 14.433 -7.889 319 HD1 TRP 43 HD1 TRP 43 -10.856 15.583 -10.965 320 HE1 TRP 43 HE1 TRP 43 -10.854 13.675 -12.693 321 HE3 TRP 43 HE3 TRP 43 -8.590 11.955 -8.165 322 HZ2 TRP 43 HZ2 TRP 43 -10.005 10.988 -12.848 323 HZ3 TRP 43 HZ3 TRP 43 -8.220 9.743 -9.177 324 HH2 TRP 43 HH2 TRP 43 -8.914 9.271 -11.470 325 H THR 44 H THR 44 -10.661 13.208 -5.654 326 HA THR 44 HA THR 44 -9.912 15.230 -3.643 327 HB THR 44 HB THR 44 -10.874 12.582 -2.721 328 HG1 THR 44 HG1 THR 44 -12.783 14.513 -3.525 329 HG21 THR 44 HG21 THR 44 -12.133 14.174 -1.153 330 HG22 THR 44 HG22 THR 44 -11.153 15.452 -1.871 331 HG23 THR 44 HG23 THR 44 -10.377 14.119 -1.017 332 H TYR 45 H TYR 45 -8.181 14.840 -2.292 333 HA TYR 45 HA TYR 45 -6.643 12.380 -2.725 334 HB2 TYR 45 HB2 TYR 45 -4.548 13.734 -2.804 335 HB3 TYR 45 HB3 TYR 45 -5.604 13.991 -4.188 336 HD1 TYR 45 HD1 TYR 45 -3.876 15.535 -1.449 337 HD2 TYR 45 HD2 TYR 45 -7.063 16.067 -4.217 338 HE1 TYR 45 HE1 TYR 45 -3.835 17.957 -1.022 339 HE2 TYR 45 HE2 TYR 45 -7.030 18.491 -3.799 340 HH TYR 45 HH TYR 45 -4.812 20.150 -2.768 341 H ASP 46 H ASP 46 -6.481 11.449 -0.804 342 HA ASP 46 HA ASP 46 -6.321 13.127 1.597 343 HB2 ASP 46 HB2 ASP 46 -7.106 10.254 1.150 344 HB3 ASP 46 HB3 ASP 46 -6.738 10.871 2.758 345 H ASP 47 H ASP 47 -4.212 13.668 1.840 346 HA ASP 47 HA ASP 47 -2.031 11.957 1.282 347 HB2 ASP 47 HB2 ASP 47 -2.311 14.508 2.855 348 HB3 ASP 47 HB3 ASP 47 -0.775 13.651 2.766 349 H ALA 48 H ALA 48 -4.245 11.986 3.826 350 HA ALA 48 HA ALA 48 -2.502 11.005 5.889 351 HB1 ALA 48 HB1 ALA 48 -4.210 11.669 7.136 352 HB2 ALA 48 HB2 ALA 48 -5.210 11.898 5.700 353 HB3 ALA 48 HB3 ALA 48 -5.165 10.329 6.502 354 H THR 49 H THR 49 -4.868 9.573 3.673 355 HA THR 49 HA THR 49 -3.900 6.905 4.466 356 HB THR 49 HB THR 49 -6.080 6.175 3.229 357 HG1 THR 49 HG1 THR 49 -7.717 7.883 3.616 358 HG21 THR 49 HG21 THR 49 -7.391 6.621 5.376 359 HG22 THR 49 HG22 THR 49 -5.937 7.430 5.960 360 HG23 THR 49 HG23 THR 49 -5.884 5.720 5.533 361 H LYS 50 H LYS 50 -3.285 9.112 2.227 362 HA LYS 50 HA LYS 50 -2.587 9.133 0.054 363 HB2 LYS 50 HB2 LYS 50 -1.823 6.254 0.510 364 HB3 LYS 50 HB3 LYS 50 -1.032 7.436 -0.524 365 HG2 LYS 50 HG2 LYS 50 -1.124 7.571 2.482 366 HG3 LYS 50 HG3 LYS 50 0.228 6.947 1.534 367 HD2 LYS 50 HD2 LYS 50 0.465 9.136 0.450 368 HD3 LYS 50 HD3 LYS 50 -0.876 9.755 1.416 369 HE2 LYS 50 HE2 LYS 50 1.132 10.456 2.476 370 HE3 LYS 50 HE3 LYS 50 0.453 9.161 3.461 371 HZ1 LYS 50 HZ1 LYS 50 2.263 7.938 3.160 372 HZ2 LYS 50 HZ2 LYS 50 3.003 9.290 2.465 373 HZ3 LYS 50 HZ3 LYS 50 2.233 8.149 1.481 374 H THR 51 H THR 51 -5.276 8.735 0.160 375 HA THR 51 HA THR 51 -5.743 6.741 -1.960 376 HB THR 51 HB THR 51 -7.703 6.052 -1.033 377 HG1 THR 51 HG1 THR 51 -9.178 7.422 -0.286 378 HG21 THR 51 HG21 THR 51 -6.301 7.200 1.384 379 HG22 THR 51 HG22 THR 51 -6.034 5.607 0.677 380 HG23 THR 51 HG23 THR 51 -7.581 5.989 1.431 381 H PHE 52 H PHE 52 -6.855 7.368 -3.754 382 HA PHE 52 HA PHE 52 -7.469 10.236 -3.955 383 HB2 PHE 52 HB2 PHE 52 -6.476 8.200 -5.894 384 HB3 PHE 52 HB3 PHE 52 -7.473 9.512 -6.513 385 HD1 PHE 52 HD1 PHE 52 -6.665 11.772 -6.565 386 HD2 PHE 52 HD2 PHE 52 -4.288 8.643 -4.929 387 HE1 PHE 52 HE1 PHE 52 -4.697 13.247 -6.614 388 HE2 PHE 52 HE2 PHE 52 -2.316 10.113 -4.974 389 HZ PHE 52 HZ PHE 52 -2.519 12.418 -5.817 390 H THR 53 H THR 53 -9.347 10.891 -5.162 391 HA THR 53 HA THR 53 -11.412 8.874 -5.583 392 HB THR 53 HB THR 53 -12.054 11.314 -3.934 393 HG1 THR 53 HG1 THR 53 -10.645 10.077 -2.687 394 HG21 THR 53 HG21 THR 53 -13.530 9.028 -5.016 395 HG22 THR 53 HG22 THR 53 -14.115 10.603 -4.482 396 HG23 THR 53 HG23 THR 53 -13.825 9.324 -3.303 397 H VAL 54 H VAL 54 -13.198 9.627 -6.858 398 HA VAL 54 HA VAL 54 -12.930 12.254 -8.098 399 HB VAL 54 HB VAL 54 -11.595 10.893 -9.575 400 HG11 VAL 54 HG11 VAL 54 -13.458 8.870 -8.900 401 HG12 VAL 54 HG12 VAL 54 -13.512 9.087 -10.651 402 HG13 VAL 54 HG13 VAL 54 -11.981 8.726 -9.852 403 HG21 VAL 54 HG21 VAL 54 -12.689 11.330 -11.637 404 HG22 VAL 54 HG22 VAL 54 -14.284 11.234 -10.889 405 HG23 VAL 54 HG23 VAL 54 -13.212 12.583 -10.511 406 H THR 55 H THR 55 -14.871 13.149 -8.027 407 HA THR 55 HA THR 55 -17.238 11.414 -8.313 408 HB THR 55 HB THR 55 -17.044 14.014 -6.779 409 HG1 THR 55 HG1 THR 55 -16.594 12.803 -5.105 410 HG21 THR 55 HG21 THR 55 -19.317 12.031 -6.909 411 HG22 THR 55 HG22 THR 55 -19.261 13.541 -7.820 412 HG23 THR 55 HG23 THR 55 -19.297 13.574 -6.057 413 H GLU 56 H GLU 56 -18.843 12.016 -9.708 414 HA GLU 56 HA GLU 56 -18.281 14.372 -11.384 415 HB2 GLU 56 HB2 GLU 56 -19.962 12.032 -12.247 416 HB3 GLU 56 HB3 GLU 56 -19.179 13.247 -13.248 417 HG2 GLU 56 HG2 GLU 56 -16.996 12.323 -12.666 418 HG3 GLU 56 HG3 GLU 56 -17.779 11.106 -11.661 Start of MODEL 20 1 H MET 1 H MET 1 1.671 1.616 0.845 2 HA MET 1 HA MET 1 2.791 1.498 -1.129 3 HB2 MET 1 HB2 MET 1 3.379 -0.765 -0.246 4 HB3 MET 1 HB3 MET 1 2.003 -1.419 -1.124 5 HG2 MET 1 HG2 MET 1 3.057 -1.342 -3.103 6 HG3 MET 1 HG3 MET 1 3.869 0.177 -2.733 7 HE1 MET 1 HE1 MET 1 6.404 -0.778 -3.818 8 HE2 MET 1 HE2 MET 1 6.063 0.424 -2.573 9 HE3 MET 1 HE3 MET 1 7.322 -0.784 -2.312 10 H GLN 2 H GLN 2 -0.276 -0.272 -1.168 11 HA GLN 2 HA GLN 2 -0.736 0.663 -3.915 12 HB2 GLN 2 HB2 GLN 2 -2.495 -1.052 -4.020 13 HB3 GLN 2 HB3 GLN 2 -0.930 -1.748 -3.622 14 HG2 GLN 2 HG2 GLN 2 -1.771 -2.663 -1.798 15 HG3 GLN 2 HG3 GLN 2 -2.263 -1.078 -1.202 16 HE21 GLN 2 HE21 GLN 2 -4.276 -0.242 -2.492 17 HE22 GLN 2 HE22 GLN 2 -5.580 -1.372 -2.587 18 H TYR 3 H TYR 3 -2.585 1.796 -4.463 19 HA TYR 3 HA TYR 3 -4.040 2.963 -2.186 20 HB2 TYR 3 HB2 TYR 3 -4.397 4.925 -3.521 21 HB3 TYR 3 HB3 TYR 3 -2.688 4.515 -3.622 22 HD1 TYR 3 HD1 TYR 3 -5.890 4.503 -5.449 23 HD2 TYR 3 HD2 TYR 3 -1.688 3.890 -5.703 24 HE1 TYR 3 HE1 TYR 3 -6.046 4.496 -7.903 25 HE2 TYR 3 HE2 TYR 3 -1.831 3.883 -8.158 26 HH TYR 3 HH TYR 3 -4.954 4.200 -9.817 27 H LYS 4 H LYS 4 -6.308 3.588 -2.622 28 HA LYS 4 HA LYS 4 -7.624 1.579 -4.330 29 HB2 LYS 4 HB2 LYS 4 -7.918 1.590 -1.737 30 HB3 LYS 4 HB3 LYS 4 -8.994 2.948 -2.039 31 HG2 LYS 4 HG2 LYS 4 -10.285 1.490 -3.592 32 HG3 LYS 4 HG3 LYS 4 -9.272 0.138 -3.079 33 HD2 LYS 4 HD2 LYS 4 -10.522 1.727 -0.924 34 HD3 LYS 4 HD3 LYS 4 -11.617 0.763 -1.918 35 HE2 LYS 4 HE2 LYS 4 -9.123 -0.462 -0.812 36 HE3 LYS 4 HE3 LYS 4 -10.541 -0.272 0.218 37 HZ1 LYS 4 HZ1 LYS 4 -11.512 -1.356 -2.096 38 HZ2 LYS 4 HZ2 LYS 4 -11.238 -2.180 -0.645 39 HZ3 LYS 4 HZ3 LYS 4 -10.052 -2.175 -1.851 40 H LEU 5 H LEU 5 -9.099 2.222 -5.812 41 HA LEU 5 HA LEU 5 -9.400 5.107 -6.201 42 HB2 LEU 5 HB2 LEU 5 -8.723 3.214 -7.968 43 HB3 LEU 5 HB3 LEU 5 -10.473 3.180 -8.176 44 HG LEU 5 HG LEU 5 -9.594 4.617 -9.845 45 HD11 LEU 5 HD11 LEU 5 -10.904 6.471 -9.517 46 HD12 LEU 5 HD12 LEU 5 -10.449 6.630 -7.821 47 HD13 LEU 5 HD13 LEU 5 -11.579 5.370 -8.316 48 HD21 LEU 5 HD21 LEU 5 -7.440 5.168 -9.187 49 HD22 LEU 5 HD22 LEU 5 -7.960 5.740 -7.602 50 HD23 LEU 5 HD23 LEU 5 -8.295 6.703 -9.042 51 H ILE 6 H ILE 6 -11.297 6.145 -6.009 52 HA ILE 6 HA ILE 6 -13.712 4.518 -5.549 53 HB ILE 6 HB ILE 6 -12.973 7.106 -4.178 54 HG12 ILE 6 HG12 ILE 6 -13.542 4.989 -2.367 55 HG13 ILE 6 HG13 ILE 6 -12.402 4.373 -3.558 56 HG21 ILE 6 HG21 ILE 6 -15.480 5.466 -4.192 57 HG22 ILE 6 HG22 ILE 6 -15.065 6.484 -2.814 58 HG23 ILE 6 HG23 ILE 6 -15.288 7.205 -4.408 59 HD11 ILE 6 HD11 ILE 6 -12.058 6.768 -1.776 60 HD12 ILE 6 HD12 ILE 6 -11.170 5.244 -1.720 61 HD13 ILE 6 HD13 ILE 6 -10.956 6.341 -3.084 62 H LEU 7 H LEU 7 -15.018 4.770 -7.235 63 HA LEU 7 HA LEU 7 -15.102 7.353 -8.618 64 HB2 LEU 7 HB2 LEU 7 -16.219 4.671 -9.423 65 HB3 LEU 7 HB3 LEU 7 -16.275 6.138 -10.397 66 HG LEU 7 HG LEU 7 -14.527 4.960 -11.346 67 HD11 LEU 7 HD11 LEU 7 -13.849 7.243 -10.722 68 HD12 LEU 7 HD12 LEU 7 -12.488 6.123 -10.774 69 HD13 LEU 7 HD13 LEU 7 -13.168 6.612 -9.222 70 HD21 LEU 7 HD21 LEU 7 -14.303 3.798 -8.700 71 HD22 LEU 7 HD22 LEU 7 -12.726 4.178 -9.393 72 HD23 LEU 7 HD23 LEU 7 -13.847 3.133 -10.268 73 H ASN 8 H ASN 8 -16.594 8.721 -7.909 74 HA ASN 8 HA ASN 8 -19.140 7.651 -6.902 75 HB2 ASN 8 HB2 ASN 8 -17.559 9.257 -5.544 76 HB3 ASN 8 HB3 ASN 8 -18.318 10.505 -6.528 77 HD21 ASN 8 HD21 ASN 8 -20.817 10.121 -6.665 78 HD22 ASN 8 HD22 ASN 8 -21.584 9.898 -5.132 79 H GLY 9 H GLY 9 -19.513 7.386 -9.344 80 HA2 GLY 9 HA2 GLY 9 -20.052 9.744 -10.874 81 HA3 GLY 9 HA3 GLY 9 -20.489 8.098 -11.309 82 H LYS 10 H LYS 10 -22.170 10.249 -11.808 83 HA LYS 10 HA LYS 10 -24.165 10.392 -9.725 84 HB2 LYS 10 HB2 LYS 10 -24.484 11.363 -12.559 85 HB3 LYS 10 HB3 LYS 10 -25.294 11.948 -11.111 86 HG2 LYS 10 HG2 LYS 10 -22.362 12.265 -11.721 87 HG3 LYS 10 HG3 LYS 10 -23.597 13.512 -11.910 88 HD2 LYS 10 HD2 LYS 10 -22.949 14.099 -9.830 89 HD3 LYS 10 HD3 LYS 10 -24.024 12.786 -9.344 90 HE2 LYS 10 HE2 LYS 10 -22.325 11.569 -8.565 91 HE3 LYS 10 HE3 LYS 10 -21.380 11.820 -10.032 92 HZ1 LYS 10 HZ1 LYS 10 -20.906 12.905 -7.543 93 HZ2 LYS 10 HZ2 LYS 10 -21.475 14.192 -8.482 94 HZ3 LYS 10 HZ3 LYS 10 -20.128 13.304 -8.992 95 H THR 11 H THR 11 -23.862 8.915 -12.928 96 HA THR 11 HA THR 11 -26.279 7.331 -12.340 97 HB THR 11 HB THR 11 -26.601 8.825 -14.267 98 HG1 THR 11 HG1 THR 11 -27.758 7.238 -15.033 99 HG21 THR 11 HG21 THR 11 -24.113 8.730 -14.898 100 HG22 THR 11 HG22 THR 11 -25.290 8.751 -16.211 101 HG23 THR 11 HG23 THR 11 -24.520 7.236 -15.741 102 H LEU 12 H LEU 12 -23.215 6.967 -11.958 103 HA LEU 12 HA LEU 12 -23.236 4.150 -12.568 104 HB2 LEU 12 HB2 LEU 12 -21.274 4.110 -13.933 105 HB3 LEU 12 HB3 LEU 12 -22.460 5.181 -14.677 106 HG LEU 12 HG LEU 12 -20.259 6.286 -12.969 107 HD11 LEU 12 HD11 LEU 12 -20.094 5.356 -15.814 108 HD12 LEU 12 HD12 LEU 12 -18.977 5.057 -14.483 109 HD13 LEU 12 HD13 LEU 12 -19.077 6.662 -15.206 110 HD21 LEU 12 HD21 LEU 12 -21.560 8.066 -13.435 111 HD22 LEU 12 HD22 LEU 12 -22.298 7.295 -14.840 112 HD23 LEU 12 HD23 LEU 12 -20.701 8.032 -14.975 113 H LYS 13 H LYS 13 -21.861 2.983 -11.276 114 HA LYS 13 HA LYS 13 -19.997 4.470 -9.565 115 HB2 LYS 13 HB2 LYS 13 -22.171 2.593 -8.649 116 HB3 LYS 13 HB3 LYS 13 -20.779 2.982 -7.648 117 HG2 LYS 13 HG2 LYS 13 -22.769 4.970 -8.724 118 HG3 LYS 13 HG3 LYS 13 -22.729 4.338 -7.076 119 HD2 LYS 13 HD2 LYS 13 -20.160 5.233 -7.437 120 HD3 LYS 13 HD3 LYS 13 -21.110 6.423 -8.329 121 HE2 LYS 13 HE2 LYS 13 -21.387 5.636 -5.435 122 HE3 LYS 13 HE3 LYS 13 -20.889 7.198 -6.081 123 HZ1 LYS 13 HZ1 LYS 13 -23.574 6.001 -5.990 124 HZ2 LYS 13 HZ2 LYS 13 -23.210 7.134 -7.192 125 HZ3 LYS 13 HZ3 LYS 13 -23.082 7.562 -5.560 126 H GLY 14 H GLY 14 -18.246 3.256 -8.760 127 HA2 GLY 14 HA2 GLY 14 -17.933 0.476 -9.110 128 HA3 GLY 14 HA3 GLY 14 -17.217 1.306 -10.484 129 H GLU 15 H GLU 15 -15.462 -0.102 -9.207 130 HA GLU 15 HA GLU 15 -13.772 1.874 -7.927 131 HB2 GLU 15 HB2 GLU 15 -14.863 1.045 -5.972 132 HB3 GLU 15 HB3 GLU 15 -14.702 -0.621 -6.510 133 HG2 GLU 15 HG2 GLU 15 -12.179 0.855 -6.202 134 HG3 GLU 15 HG3 GLU 15 -13.080 0.562 -4.715 135 H THR 16 H THR 16 -11.601 1.449 -8.147 136 HA THR 16 HA THR 16 -10.825 -1.112 -9.354 137 HB THR 16 HB THR 16 -11.049 0.326 -11.259 138 HG1 THR 16 HG1 THR 16 -8.800 0.414 -11.913 139 HG21 THR 16 HG21 THR 16 -10.961 2.465 -9.954 140 HG22 THR 16 HG22 THR 16 -10.035 2.487 -11.455 141 HG23 THR 16 HG23 THR 16 -9.206 2.297 -9.910 142 H THR 17 H THR 17 -8.765 -1.809 -8.872 143 HA THR 17 HA THR 17 -7.186 -0.100 -7.065 144 HB THR 17 HB THR 17 -6.566 -2.061 -5.746 145 HG1 THR 17 HG1 THR 17 -6.889 -3.967 -6.586 146 HG21 THR 17 HG21 THR 17 -9.014 -0.768 -5.699 147 HG22 THR 17 HG22 THR 17 -8.348 -1.784 -4.420 148 HG23 THR 17 HG23 THR 17 -9.441 -2.476 -5.618 149 H THR 18 H THR 18 -4.959 -0.241 -7.229 150 HA THR 18 HA THR 18 -3.795 -2.106 -9.142 151 HB THR 18 HB THR 18 -4.401 -0.128 -10.496 152 HG1 THR 18 HG1 THR 18 -1.596 -0.436 -10.071 153 HG21 THR 18 HG21 THR 18 -4.139 1.939 -9.712 154 HG22 THR 18 HG22 THR 18 -2.396 1.690 -9.602 155 HG23 THR 18 HG23 THR 18 -3.433 1.283 -8.235 156 H GLU 19 H GLU 19 -1.604 -2.488 -8.833 157 HA GLU 19 HA GLU 19 -0.527 -1.423 -6.317 158 HB2 GLU 19 HB2 GLU 19 0.966 -3.381 -6.341 159 HB3 GLU 19 HB3 GLU 19 -0.729 -3.845 -6.387 160 HG2 GLU 19 HG2 GLU 19 -0.506 -4.100 -8.862 161 HG3 GLU 19 HG3 GLU 19 1.228 -3.849 -8.668 162 H ALA 20 H ALA 20 1.038 0.035 -6.403 163 HA ALA 20 HA ALA 20 2.792 0.086 -8.771 164 HB1 ALA 20 HB1 ALA 20 2.519 2.305 -9.079 165 HB2 ALA 20 HB2 ALA 20 0.979 2.006 -8.271 166 HB3 ALA 20 HB3 ALA 20 2.349 2.635 -7.355 167 H VAL 21 H VAL 21 4.954 0.725 -8.431 168 HA VAL 21 HA VAL 21 5.981 -0.002 -5.836 169 HB VAL 21 HB VAL 21 8.194 0.252 -6.838 170 HG11 VAL 21 HG11 VAL 21 6.470 -1.153 -8.855 171 HG12 VAL 21 HG12 VAL 21 8.087 -1.582 -8.295 172 HG13 VAL 21 HG13 VAL 21 6.700 -1.784 -7.225 173 HG21 VAL 21 HG21 VAL 21 8.367 0.830 -9.257 174 HG22 VAL 21 HG22 VAL 21 6.673 1.321 -9.212 175 HG23 VAL 21 HG23 VAL 21 7.865 2.175 -8.232 176 H ASP 22 H ASP 22 5.241 2.905 -7.524 177 HA ASP 22 HA ASP 22 6.387 4.457 -5.306 178 HB2 ASP 22 HB2 ASP 22 7.132 4.588 -8.090 179 HB3 ASP 22 HB3 ASP 22 6.449 6.126 -7.571 180 H ALA 23 H ALA 23 5.270 6.360 -4.758 181 HA ALA 23 HA ALA 23 2.450 6.231 -5.171 182 HB1 ALA 23 HB1 ALA 23 2.515 8.442 -3.885 183 HB2 ALA 23 HB2 ALA 23 3.098 6.997 -3.058 184 HB3 ALA 23 HB3 ALA 23 4.248 8.153 -3.730 185 H ALA 24 H ALA 24 5.045 8.285 -6.391 186 HA ALA 24 HA ALA 24 3.476 10.238 -7.644 187 HB1 ALA 24 HB1 ALA 24 6.255 9.440 -7.634 188 HB2 ALA 24 HB2 ALA 24 5.735 9.971 -9.234 189 HB3 ALA 24 HB3 ALA 24 5.541 11.039 -7.844 190 H THR 25 H THR 25 4.663 7.115 -8.804 191 HA THR 25 HA THR 25 3.598 7.461 -11.446 192 HB THR 25 HB THR 25 4.519 4.917 -10.094 193 HG1 THR 25 HG1 THR 25 5.958 6.628 -11.861 194 HG21 THR 25 HG21 THR 25 3.456 5.529 -12.749 195 HG22 THR 25 HG22 THR 25 3.634 3.976 -11.932 196 HG23 THR 25 HG23 THR 25 5.004 4.686 -12.785 197 H ALA 26 H ALA 26 2.515 5.988 -8.456 198 HA ALA 26 HA ALA 26 0.360 4.499 -9.503 199 HB1 ALA 26 HB1 ALA 26 -0.321 5.345 -6.899 200 HB2 ALA 26 HB2 ALA 26 0.353 3.794 -7.400 201 HB3 ALA 26 HB3 ALA 26 1.427 5.110 -6.927 202 H GLU 27 H GLU 27 0.631 7.835 -8.382 203 HA GLU 27 HA GLU 27 -2.131 8.438 -8.469 204 HB2 GLU 27 HB2 GLU 27 -0.579 9.829 -7.221 205 HB3 GLU 27 HB3 GLU 27 0.280 10.245 -8.697 206 HG2 GLU 27 HG2 GLU 27 -2.297 10.985 -9.270 207 HG3 GLU 27 HG3 GLU 27 -2.142 11.381 -7.559 208 H LYS 28 H LYS 28 0.487 8.868 -10.820 209 HA LYS 28 HA LYS 28 -0.997 10.193 -12.793 210 HB2 LYS 28 HB2 LYS 28 1.421 8.397 -13.000 211 HB3 LYS 28 HB3 LYS 28 0.762 9.290 -14.364 212 HG2 LYS 28 HG2 LYS 28 1.046 11.363 -12.859 213 HG3 LYS 28 HG3 LYS 28 2.115 10.329 -11.908 214 HD2 LYS 28 HD2 LYS 28 3.751 10.428 -13.440 215 HD3 LYS 28 HD3 LYS 28 2.627 10.212 -14.784 216 HE2 LYS 28 HE2 LYS 28 2.035 12.557 -14.708 217 HE3 LYS 28 HE3 LYS 28 3.046 12.796 -13.284 218 HZ1 LYS 28 HZ1 LYS 28 3.920 12.180 -16.046 219 HZ2 LYS 28 HZ2 LYS 28 4.952 12.046 -14.713 220 HZ3 LYS 28 HZ3 LYS 28 4.286 13.547 -15.119 221 H VAL 29 H VAL 29 -0.736 6.810 -11.967 222 HA VAL 29 HA VAL 29 -1.704 5.624 -14.289 223 HB VAL 29 HB VAL 29 -2.153 4.779 -11.423 224 HG11 VAL 29 HG11 VAL 29 -3.774 3.626 -12.681 225 HG12 VAL 29 HG12 VAL 29 -2.661 3.360 -14.024 226 HG13 VAL 29 HG13 VAL 29 -2.433 2.495 -12.503 227 HG21 VAL 29 HG21 VAL 29 0.021 4.312 -11.460 228 HG22 VAL 29 HG22 VAL 29 -0.324 3.091 -12.684 229 HG23 VAL 29 HG23 VAL 29 0.140 4.721 -13.171 230 H PHE 30 H PHE 30 -3.553 6.664 -11.423 231 HA PHE 30 HA PHE 30 -6.078 6.146 -12.657 232 HB2 PHE 30 HB2 PHE 30 -7.047 6.862 -10.653 233 HB3 PHE 30 HB3 PHE 30 -5.495 6.213 -10.135 234 HD1 PHE 30 HD1 PHE 30 -4.076 7.503 -8.842 235 HD2 PHE 30 HD2 PHE 30 -7.160 9.400 -11.079 236 HE1 PHE 30 HE1 PHE 30 -3.542 9.645 -7.754 237 HE2 PHE 30 HE2 PHE 30 -6.631 11.545 -9.996 238 HZ PHE 30 HZ PHE 30 -4.819 11.670 -8.332 239 H LYS 31 H LYS 31 -3.957 8.898 -12.402 240 HA LYS 31 HA LYS 31 -5.817 10.913 -13.085 241 HB2 LYS 31 HB2 LYS 31 -2.989 10.712 -12.619 242 HB3 LYS 31 HB3 LYS 31 -3.277 11.661 -14.071 243 HG2 LYS 31 HG2 LYS 31 -4.526 12.187 -11.382 244 HG3 LYS 31 HG3 LYS 31 -3.133 13.042 -12.048 245 HD2 LYS 31 HD2 LYS 31 -5.628 12.909 -13.668 246 HD3 LYS 31 HD3 LYS 31 -5.581 14.003 -12.284 247 HE2 LYS 31 HE2 LYS 31 -3.171 14.202 -13.865 248 HE3 LYS 31 HE3 LYS 31 -4.604 14.485 -14.851 249 HZ1 LYS 31 HZ1 LYS 31 -5.230 16.291 -13.566 250 HZ2 LYS 31 HZ2 LYS 31 -3.549 16.461 -13.645 251 HZ3 LYS 31 HZ3 LYS 31 -4.271 15.835 -12.249 252 H GLN 32 H GLN 32 -3.500 9.070 -15.057 253 HA GLN 32 HA GLN 32 -4.364 10.257 -17.510 254 HB2 GLN 32 HB2 GLN 32 -2.117 9.451 -17.402 255 HB3 GLN 32 HB3 GLN 32 -2.649 7.854 -16.892 256 HG2 GLN 32 HG2 GLN 32 -3.871 8.502 -19.389 257 HG3 GLN 32 HG3 GLN 32 -2.132 8.765 -19.498 258 HE21 GLN 32 HE21 GLN 32 -3.973 6.403 -17.621 259 HE22 GLN 32 HE22 GLN 32 -3.258 5.007 -18.344 260 H TYR 33 H TYR 33 -4.892 7.110 -15.954 261 HA TYR 33 HA TYR 33 -6.399 5.896 -17.943 262 HB2 TYR 33 HB2 TYR 33 -5.569 4.716 -15.951 263 HB3 TYR 33 HB3 TYR 33 -6.713 5.601 -14.948 264 HD1 TYR 33 HD1 TYR 33 -8.582 4.424 -14.313 265 HD2 TYR 33 HD2 TYR 33 -6.814 3.557 -18.084 266 HE1 TYR 33 HE1 TYR 33 -10.275 2.681 -14.699 267 HE2 TYR 33 HE2 TYR 33 -8.502 1.813 -18.481 268 HH TYR 33 HH TYR 33 -11.122 1.229 -16.164 269 H ALA 34 H ALA 34 -7.428 8.062 -15.343 270 HA ALA 34 HA ALA 34 -10.209 7.882 -15.953 271 HB1 ALA 34 HB1 ALA 34 -10.424 9.831 -14.442 272 HB2 ALA 34 HB2 ALA 34 -9.514 8.497 -13.731 273 HB3 ALA 34 HB3 ALA 34 -8.665 9.914 -14.349 274 H ASN 35 H ASN 35 -7.678 10.268 -16.670 275 HA ASN 35 HA ASN 35 -9.286 12.140 -17.986 276 HB2 ASN 35 HB2 ASN 35 -7.129 12.877 -17.430 277 HB3 ASN 35 HB3 ASN 35 -6.361 11.464 -18.146 278 HD21 ASN 35 HD21 ASN 35 -5.079 12.286 -19.659 279 HD22 ASN 35 HD22 ASN 35 -5.586 13.334 -20.936 280 H ASP 36 H ASP 36 -7.460 9.380 -19.274 281 HA ASP 36 HA ASP 36 -8.134 9.800 -21.981 282 HB2 ASP 36 HB2 ASP 36 -6.275 8.385 -21.484 283 HB3 ASP 36 HB3 ASP 36 -7.264 7.334 -20.474 284 H ASN 37 H ASN 37 -9.807 8.276 -19.338 285 HA ASN 37 HA ASN 37 -11.744 6.960 -21.023 286 HB2 ASN 37 HB2 ASN 37 -11.036 6.075 -18.787 287 HB3 ASN 37 HB3 ASN 37 -11.868 7.435 -18.039 288 HD21 ASN 37 HD21 ASN 37 -12.265 4.510 -19.907 289 HD22 ASN 37 HD22 ASN 37 -13.942 4.285 -19.560 290 H GLY 38 H GLY 38 -11.250 10.110 -20.200 291 HA2 GLY 38 HA2 GLY 38 -12.582 11.947 -20.684 292 HA3 GLY 38 HA3 GLY 38 -13.917 10.854 -21.015 293 H VAL 39 H VAL 39 -12.221 10.540 -18.020 294 HA VAL 39 HA VAL 39 -14.561 10.915 -16.482 295 HB VAL 39 HB VAL 39 -11.673 10.908 -15.595 296 HG11 VAL 39 HG11 VAL 39 -12.646 11.776 -13.733 297 HG12 VAL 39 HG12 VAL 39 -14.235 11.112 -14.117 298 HG13 VAL 39 HG13 VAL 39 -12.984 10.072 -13.436 299 HG21 VAL 39 HG21 VAL 39 -12.557 8.859 -16.776 300 HG22 VAL 39 HG22 VAL 39 -11.937 8.596 -15.146 301 HG23 VAL 39 HG23 VAL 39 -13.677 8.668 -15.426 302 H ASP 40 H ASP 40 -15.531 12.750 -15.960 303 HA ASP 40 HA ASP 40 -13.884 15.168 -15.607 304 HB2 ASP 40 HB2 ASP 40 -15.319 15.096 -17.724 305 HB3 ASP 40 HB3 ASP 40 -16.712 15.212 -16.652 306 H GLY 41 H GLY 41 -14.371 16.490 -13.892 307 HA2 GLY 41 HA2 GLY 41 -16.535 16.878 -12.392 308 HA3 GLY 41 HA3 GLY 41 -16.045 15.286 -11.834 309 H GLU 42 H GLU 42 -15.472 15.823 -9.771 310 HA GLU 42 HA GLU 42 -13.290 17.782 -9.483 311 HB2 GLU 42 HB2 GLU 42 -15.449 18.324 -8.318 312 HB3 GLU 42 HB3 GLU 42 -15.215 16.885 -7.335 313 HG2 GLU 42 HG2 GLU 42 -14.437 18.634 -6.012 314 HG3 GLU 42 HG3 GLU 42 -12.978 17.900 -6.673 315 H TRP 43 H TRP 43 -11.407 17.148 -8.600 316 HA TRP 43 HA TRP 43 -11.177 14.321 -7.839 317 HB2 TRP 43 HB2 TRP 43 -9.209 16.330 -8.907 318 HB3 TRP 43 HB3 TRP 43 -8.661 14.858 -8.110 319 HD1 TRP 43 HD1 TRP 43 -10.030 16.135 -11.378 320 HE1 TRP 43 HE1 TRP 43 -10.145 14.203 -13.074 321 HE3 TRP 43 HE3 TRP 43 -9.093 12.226 -8.220 322 HZ2 TRP 43 HZ2 TRP 43 -9.875 11.393 -13.074 323 HZ3 TRP 43 HZ3 TRP 43 -9.039 9.947 -9.147 324 HH2 TRP 43 HH2 TRP 43 -9.423 9.542 -11.524 325 H THR 44 H THR 44 -9.610 13.806 -6.099 326 HA THR 44 HA THR 44 -9.219 15.905 -4.113 327 HB THR 44 HB THR 44 -11.446 14.865 -3.625 328 HG1 THR 44 HG1 THR 44 -10.309 15.779 -1.913 329 HG21 THR 44 HG21 THR 44 -9.767 12.419 -3.053 330 HG22 THR 44 HG22 THR 44 -10.954 12.584 -4.348 331 HG23 THR 44 HG23 THR 44 -11.476 12.605 -2.664 332 H TYR 45 H TYR 45 -7.715 15.326 -2.442 333 HA TYR 45 HA TYR 45 -6.165 12.884 -2.931 334 HB2 TYR 45 HB2 TYR 45 -4.074 14.319 -2.540 335 HB3 TYR 45 HB3 TYR 45 -4.857 14.445 -4.112 336 HD1 TYR 45 HD1 TYR 45 -6.206 16.449 -4.663 337 HD2 TYR 45 HD2 TYR 45 -3.956 16.190 -1.061 338 HE1 TYR 45 HE1 TYR 45 -6.384 18.886 -4.384 339 HE2 TYR 45 HE2 TYR 45 -4.128 18.627 -0.772 340 HH TYR 45 HH TYR 45 -6.257 20.551 -2.613 341 H ASP 46 H ASP 46 -6.224 11.790 -1.091 342 HA ASP 46 HA ASP 46 -6.127 13.280 1.447 343 HB2 ASP 46 HB2 ASP 46 -7.096 10.447 1.037 344 HB3 ASP 46 HB3 ASP 46 -7.265 11.434 2.487 345 H ASP 47 H ASP 47 -3.973 13.425 1.857 346 HA ASP 47 HA ASP 47 -2.093 11.374 1.358 347 HB2 ASP 47 HB2 ASP 47 -1.720 13.490 3.463 348 HB3 ASP 47 HB3 ASP 47 -0.511 12.754 2.414 349 H ALA 48 H ALA 48 -4.458 11.708 3.748 350 HA ALA 48 HA ALA 48 -3.130 10.399 5.905 351 HB1 ALA 48 HB1 ALA 48 -5.429 11.819 5.692 352 HB2 ALA 48 HB2 ALA 48 -6.055 10.173 5.791 353 HB3 ALA 48 HB3 ALA 48 -5.010 10.796 7.067 354 H THR 49 H THR 49 -5.424 9.314 3.418 355 HA THR 49 HA THR 49 -4.766 6.531 4.131 356 HB THR 49 HB THR 49 -6.890 5.938 2.921 357 HG1 THR 49 HG1 THR 49 -7.473 8.714 3.159 358 HG21 THR 49 HG21 THR 49 -8.377 7.004 4.776 359 HG22 THR 49 HG22 THR 49 -6.841 7.583 5.422 360 HG23 THR 49 HG23 THR 49 -7.121 5.853 5.226 361 H LYS 50 H LYS 50 -3.767 8.756 2.069 362 HA LYS 50 HA LYS 50 -2.942 8.818 -0.060 363 HB2 LYS 50 HB2 LYS 50 -2.453 5.867 0.301 364 HB3 LYS 50 HB3 LYS 50 -1.493 7.023 -0.613 365 HG2 LYS 50 HG2 LYS 50 -0.165 6.960 1.191 366 HG3 LYS 50 HG3 LYS 50 -1.334 8.104 1.853 367 HD2 LYS 50 HD2 LYS 50 -2.526 5.751 2.464 368 HD3 LYS 50 HD3 LYS 50 -0.825 5.291 2.557 369 HE2 LYS 50 HE2 LYS 50 -1.777 7.790 3.893 370 HE3 LYS 50 HE3 LYS 50 -2.037 6.226 4.664 371 HZ1 LYS 50 HZ1 LYS 50 0.501 7.593 4.060 372 HZ2 LYS 50 HZ2 LYS 50 0.466 5.909 4.215 373 HZ3 LYS 50 HZ3 LYS 50 -0.012 6.887 5.510 374 H THR 51 H THR 51 -5.765 8.338 0.106 375 HA THR 51 HA THR 51 -6.170 6.711 -2.320 376 HB THR 51 HB THR 51 -7.268 5.849 -0.205 377 HG1 THR 51 HG1 THR 51 -8.014 5.376 -2.378 378 HG21 THR 51 HG21 THR 51 -7.977 8.391 0.272 379 HG22 THR 51 HG22 THR 51 -8.881 7.011 0.897 380 HG23 THR 51 HG23 THR 51 -9.431 7.839 -0.559 381 H PHE 52 H PHE 52 -7.289 7.582 -4.002 382 HA PHE 52 HA PHE 52 -8.041 10.414 -3.734 383 HB2 PHE 52 HB2 PHE 52 -7.376 8.924 -6.279 384 HB3 PHE 52 HB3 PHE 52 -7.599 10.661 -6.094 385 HD1 PHE 52 HD1 PHE 52 -5.859 12.052 -5.225 386 HD2 PHE 52 HD2 PHE 52 -5.364 7.829 -5.427 387 HE1 PHE 52 HE1 PHE 52 -3.450 12.317 -4.805 388 HE2 PHE 52 HE2 PHE 52 -2.954 8.088 -5.006 389 HZ PHE 52 HZ PHE 52 -1.994 10.334 -4.693 390 H THR 53 H THR 53 -9.867 11.150 -5.056 391 HA THR 53 HA THR 53 -11.797 9.100 -5.814 392 HB THR 53 HB THR 53 -12.629 11.310 -3.936 393 HG1 THR 53 HG1 THR 53 -12.699 9.558 -2.362 394 HG21 THR 53 HG21 THR 53 -14.644 9.971 -3.674 395 HG22 THR 53 HG22 THR 53 -13.985 8.735 -4.746 396 HG23 THR 53 HG23 THR 53 -14.375 10.335 -5.378 397 H VAL 54 H VAL 54 -13.362 9.800 -7.279 398 HA VAL 54 HA VAL 54 -13.148 12.582 -8.204 399 HB VAL 54 HB VAL 54 -11.799 11.309 -9.746 400 HG11 VAL 54 HG11 VAL 54 -12.214 9.189 -10.257 401 HG12 VAL 54 HG12 VAL 54 -13.650 9.257 -9.234 402 HG13 VAL 54 HG13 VAL 54 -13.773 9.622 -10.955 403 HG21 VAL 54 HG21 VAL 54 -14.373 11.666 -11.226 404 HG22 VAL 54 HG22 VAL 54 -13.552 13.060 -10.524 405 HG23 VAL 54 HG23 VAL 54 -12.730 12.067 -11.727 406 H THR 55 H THR 55 -15.079 13.499 -8.107 407 HA THR 55 HA THR 55 -17.478 11.825 -8.221 408 HB THR 55 HB THR 55 -18.682 13.768 -7.345 409 HG1 THR 55 HG1 THR 55 -16.270 15.025 -7.953 410 HG21 THR 55 HG21 THR 55 -17.259 12.148 -5.888 411 HG22 THR 55 HG22 THR 55 -17.912 13.616 -5.161 412 HG23 THR 55 HG23 THR 55 -16.221 13.554 -5.654 413 H GLU 56 H GLU 56 -18.407 11.588 -10.140 414 HA GLU 56 HA GLU 56 -18.065 13.641 -12.186 415 HB2 GLU 56 HB2 GLU 56 -19.519 11.040 -12.574 416 HB3 GLU 56 HB3 GLU 56 -18.687 12.024 -13.770 417 HG2 GLU 56 HG2 GLU 56 -16.539 11.446 -12.669 418 HG3 GLU 56 HG3 GLU 56 -17.427 10.353 -11.609
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