NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
475239 | 2l11 | 17071 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 2.765 2.771 3.491 2 H2 GLY 1 HT2 GLY 1 2.401 1.173 3.065 3 H3 GLY 1 HT3 GLY 1 1.169 2.331 3.133 4 HA2 GLY 1 HA1 GLY 1 1.783 1.842 0.855 5 HA3 GLY 1 HA2 GLY 1 2.089 3.518 1.296 6 H GLU 2 HN GLU 2 3.357 1.303 -0.569 7 HA GLU 2 HA GLU 2 6.192 1.801 0.111 8 HB2 GLU 2 HB2 GLU 2 5.540 -0.543 -0.419 9 HB3 GLU 2 HB1 GLU 2 4.936 -0.022 -1.990 10 HG2 GLU 2 HG2 GLU 2 7.230 0.666 -2.629 11 HG3 GLU 2 HG1 GLU 2 7.823 0.111 -1.064 12 H PHE 3 HN PHE 3 6.920 3.673 -0.729 13 HA PHE 3 HA PHE 3 5.673 4.789 -3.171 14 HB2 PHE 3 HB2 PHE 3 7.203 6.278 -0.987 15 HB3 PHE 3 HB1 PHE 3 6.245 6.990 -2.282 16 HD1 PHE 3 HD2 PHE 3 3.687 6.173 -2.321 17 HD2 PHE 3 HD1 PHE 3 6.213 6.129 1.120 18 HE1 PHE 3 HE2 PHE 3 1.713 6.182 -0.859 19 HE2 PHE 3 HE1 PHE 3 4.233 6.138 2.575 20 HZ PHE 3 HZ PHE 3 1.980 6.165 1.585 21 H VAL 4 HN VAL 4 6.977 5.669 -4.782 22 HA VAL 4 HA VAL 4 9.564 4.445 -5.128 23 HB VAL 4 HB VAL 4 8.076 4.543 -7.041 24 HG11 VAL 4 HG11 VAL 4 6.765 6.549 -6.539 25 HG12 VAL 4 HG12 VAL 4 7.410 6.628 -8.180 26 HG13 VAL 4 HG13 VAL 4 8.157 7.576 -6.891 27 HG21 VAL 4 HG21 VAL 4 10.485 4.587 -7.505 28 HG22 VAL 4 HG22 VAL 4 10.475 6.352 -7.493 29 HG23 VAL 4 HG23 VAL 4 9.599 5.475 -8.750 30 H VAL 5 HN VAL 5 11.344 5.263 -4.365 31 HA VAL 5 HA VAL 5 11.738 8.129 -3.918 32 HB VAL 5 HB VAL 5 12.466 6.746 -2.073 33 HG11 VAL 5 HG11 VAL 5 12.810 4.608 -3.213 34 HG12 VAL 5 HG12 VAL 5 14.218 5.018 -2.229 35 HG13 VAL 5 HG13 VAL 5 14.273 5.229 -3.984 36 HG21 VAL 5 HG21 VAL 5 14.920 7.786 -3.550 37 HG22 VAL 5 HG22 VAL 5 14.842 7.424 -1.824 38 HG23 VAL 5 HG23 VAL 5 13.862 8.729 -2.498 39 H GLU 6 HN GLU 6 13.072 9.363 -5.100 40 HA GLU 6 HA GLU 6 13.962 8.462 -7.697 41 HB2 GLU 6 HB2 GLU 6 12.962 10.680 -7.437 42 HB3 GLU 6 HB1 GLU 6 14.205 11.147 -6.283 43 HG2 GLU 6 HG2 GLU 6 15.906 11.009 -8.067 44 HG3 GLU 6 HG1 GLU 6 14.666 10.517 -9.217 45 H LYS 7 HN LYS 7 15.525 9.753 -4.732 46 HA LYS 7 HA LYS 7 18.045 8.434 -5.218 47 HB2 LYS 7 HB2 LYS 7 19.409 10.443 -5.559 48 HB3 LYS 7 HB1 LYS 7 18.181 10.336 -6.819 49 HG2 LYS 7 HG2 LYS 7 16.793 11.977 -5.463 50 HG3 LYS 7 HG1 LYS 7 18.199 12.196 -4.416 51 HD2 LYS 7 HD2 LYS 7 18.001 12.823 -7.385 52 HD3 LYS 7 HD1 LYS 7 18.102 13.987 -6.064 53 HE2 LYS 7 HE2 LYS 7 20.390 13.246 -5.560 54 HE3 LYS 7 HE1 LYS 7 20.287 12.013 -6.818 55 HZ1 LYS 7 HZ1 LYS 7 20.256 14.950 -7.193 56 HZ2 LYS 7 HZ2 LYS 7 19.950 13.839 -8.431 57 HZ3 LYS 7 HZ3 LYS 7 21.460 13.864 -7.672 58 H VAL 8 HN VAL 8 19.711 9.092 -3.567 59 HA VAL 8 HA VAL 8 18.518 9.823 -0.971 60 HB VAL 8 HB VAL 8 21.265 8.622 -1.561 61 HG11 VAL 8 HG11 VAL 8 21.441 8.228 0.857 62 HG12 VAL 8 HG12 VAL 8 19.876 8.999 1.120 63 HG13 VAL 8 HG13 VAL 8 21.240 9.951 0.525 64 HG21 VAL 8 HG21 VAL 8 19.479 7.000 -2.092 65 HG22 VAL 8 HG22 VAL 8 18.789 7.215 -0.481 66 HG23 VAL 8 HG23 VAL 8 20.390 6.494 -0.667 67 H LEU 9 HN LEU 9 19.276 11.548 0.178 68 HA LEU 9 HA LEU 9 21.013 13.500 -1.169 69 HB2 LEU 9 HB2 LEU 9 18.876 13.964 0.945 70 HB3 LEU 9 HB1 LEU 9 19.910 15.215 0.267 71 HG LEU 9 HG LEU 9 17.748 13.643 -1.183 72 HD11 LEU 9 HD11 LEU 9 17.937 16.598 -0.534 73 HD12 LEU 9 HD12 LEU 9 16.868 15.413 0.223 74 HD13 LEU 9 HD13 LEU 9 16.660 15.822 -1.477 75 HD21 LEU 9 HD21 LEU 9 18.256 14.977 -3.193 76 HD22 LEU 9 HD22 LEU 9 19.603 13.942 -2.734 77 HD23 LEU 9 HD23 LEU 9 19.664 15.672 -2.384 78 H ASP 10 HN ASP 10 20.426 11.832 1.952 79 HA ASP 10 HA ASP 10 23.118 12.435 2.879 80 HB2 ASP 10 HB2 ASP 10 21.685 14.466 3.511 81 HB3 ASP 10 HB1 ASP 10 20.791 13.403 4.590 82 H ARG 11 HN ARG 11 23.532 11.394 5.078 83 HA ARG 11 HA ARG 11 21.825 9.083 5.747 84 HB2 ARG 11 HB2 ARG 11 23.402 8.184 4.138 85 HB3 ARG 11 HB1 ARG 11 24.753 8.988 4.919 86 HG2 ARG 11 HG2 ARG 11 24.513 7.457 6.866 87 HG3 ARG 11 HG1 ARG 11 23.185 6.634 6.042 88 HD2 ARG 11 HD2 ARG 11 24.673 5.901 4.259 89 HD3 ARG 11 HD1 ARG 11 26.001 6.863 4.903 90 HE ARG 11 HE ARG 11 25.507 5.229 6.961 91 HH11 ARG 11 HH11 ARG 11 25.823 4.434 3.550 92 HH12 ARG 11 HH12 ARG 11 26.558 2.898 3.847 93 HH21 ARG 11 HH21 ARG 11 26.428 3.187 7.335 94 HH22 ARG 11 HH22 ARG 11 26.869 2.175 5.998 95 H ARG 12 HN ARG 12 22.028 8.404 7.877 96 HA ARG 12 HA ARG 12 24.132 9.328 9.656 97 HB2 ARG 12 HB2 ARG 12 22.712 10.395 11.279 98 HB3 ARG 12 HB1 ARG 12 22.293 11.118 9.729 99 HG2 ARG 12 HG2 ARG 12 20.301 9.596 9.614 100 HG3 ARG 12 HG1 ARG 12 20.701 9.001 11.230 101 HD2 ARG 12 HD2 ARG 12 19.989 11.866 10.492 102 HD3 ARG 12 HD1 ARG 12 18.942 10.714 11.325 103 HE ARG 12 HE ARG 12 21.224 10.896 12.860 104 HH11 ARG 12 HH11 ARG 12 18.681 13.124 11.869 105 HH12 ARG 12 HH12 ARG 12 18.893 14.148 13.251 106 HH21 ARG 12 HH21 ARG 12 21.487 12.250 14.645 107 HH22 ARG 12 HH22 ARG 12 20.486 13.653 14.821 108 H VAL 13 HN VAL 13 23.678 8.309 11.930 109 HA VAL 13 HA VAL 13 22.364 5.659 11.682 110 HB VAL 13 HB VAL 13 24.931 6.308 13.207 111 HG11 VAL 13 HG11 VAL 13 23.392 3.681 13.078 112 HG12 VAL 13 HG12 VAL 13 23.605 4.699 14.505 113 HG13 VAL 13 HG13 VAL 13 24.995 3.882 13.788 114 HG21 VAL 13 HG21 VAL 13 25.311 6.066 10.792 115 HG22 VAL 13 HG22 VAL 13 24.468 4.515 10.794 116 HG23 VAL 13 HG23 VAL 13 25.998 4.687 11.659 117 H VAL 14 HN VAL 14 20.619 5.620 12.917 118 HA VAL 14 HA VAL 14 20.583 6.948 15.574 119 HB VAL 14 HB VAL 14 18.235 6.429 13.687 120 HG11 VAL 14 HG11 VAL 14 16.827 7.613 15.349 121 HG12 VAL 14 HG12 VAL 14 18.206 7.707 16.446 122 HG13 VAL 14 HG13 VAL 14 17.526 6.135 16.020 123 HG21 VAL 14 HG21 VAL 14 19.606 8.343 12.951 124 HG22 VAL 14 HG22 VAL 14 19.460 9.078 14.549 125 HG23 VAL 14 HG23 VAL 14 18.029 8.888 13.532 126 H ASN 15 HN ASN 15 20.618 5.527 17.176 127 HA ASN 15 HA ASN 15 20.285 3.767 18.541 128 HB2 ASN 15 HB2 ASN 15 17.928 3.136 16.718 129 HB3 ASN 15 HB1 ASN 15 18.204 2.407 18.298 130 HD21 ASN 15 HD21 ASN 15 15.942 4.016 17.353 131 HD22 ASN 15 HD22 ASN 15 15.823 5.345 18.445 132 H GLY 16 HN GLY 16 21.996 3.512 16.145 133 HA2 GLY 16 HA2 GLY 16 23.538 1.809 15.633 134 HA3 GLY 16 HA1 GLY 16 22.397 0.596 16.189 135 H LYS 17 HN LYS 17 20.260 1.967 14.516 136 HA LYS 17 HA LYS 17 20.715 0.572 12.010 137 HB2 LYS 17 HB2 LYS 17 18.460 0.347 12.140 138 HB3 LYS 17 HB1 LYS 17 18.421 1.384 13.551 139 HG2 LYS 17 HG2 LYS 17 18.238 3.369 12.007 140 HG3 LYS 17 HG1 LYS 17 18.107 2.236 10.656 141 HD2 LYS 17 HD2 LYS 17 15.875 2.991 11.383 142 HD3 LYS 17 HD1 LYS 17 16.072 1.256 11.662 143 HE2 LYS 17 HE2 LYS 17 14.976 2.306 13.573 144 HE3 LYS 17 HE1 LYS 17 16.569 1.708 14.036 145 HZ1 LYS 17 HZ1 LYS 17 17.431 3.951 13.858 146 HZ2 LYS 17 HZ2 LYS 17 16.127 3.907 14.937 147 HZ3 LYS 17 HZ3 LYS 17 15.911 4.532 13.381 148 H VAL 18 HN VAL 18 20.344 1.706 9.935 149 HA VAL 18 HA VAL 18 21.735 4.341 9.939 150 HB VAL 18 HB VAL 18 21.952 2.113 7.855 151 HG11 VAL 18 HG11 VAL 18 23.688 3.541 6.792 152 HG12 VAL 18 HG12 VAL 18 23.329 4.820 7.954 153 HG13 VAL 18 HG13 VAL 18 22.101 4.314 6.793 154 HG21 VAL 18 HG21 VAL 18 24.028 3.100 9.849 155 HG22 VAL 18 HG22 VAL 18 24.298 1.874 8.607 156 HG23 VAL 18 HG23 VAL 18 23.172 1.556 9.929 157 H GLU 19 HN GLU 19 20.395 5.919 9.312 158 HA GLU 19 HA GLU 19 18.136 5.336 7.493 159 HB2 GLU 19 HB2 GLU 19 18.431 7.417 9.692 160 HB3 GLU 19 HB1 GLU 19 17.103 7.420 8.526 161 HG2 GLU 19 HG2 GLU 19 16.349 5.245 9.302 162 HG3 GLU 19 HG1 GLU 19 17.747 5.094 10.364 163 H TYR 20 HN TYR 20 17.945 6.401 5.661 164 HA TYR 20 HA TYR 20 19.991 8.384 4.893 165 HB2 TYR 20 HB2 TYR 20 18.303 6.500 3.174 166 HB3 TYR 20 HB1 TYR 20 19.424 7.699 2.540 167 HD1 TYR 20 HD1 TYR 20 19.290 4.621 4.682 168 HD2 TYR 20 HD2 TYR 20 21.723 7.112 2.205 169 HE1 TYR 20 HE1 TYR 20 21.088 2.964 4.769 170 HE2 TYR 20 HE2 TYR 20 23.519 5.443 2.294 171 HH TYR 20 HH TYR 20 23.012 2.285 3.485 172 H PHE 21 HN PHE 21 19.289 10.430 4.552 173 HA PHE 21 HA PHE 21 16.502 11.160 4.500 174 HB2 PHE 21 HB2 PHE 21 18.477 12.575 5.408 175 HB3 PHE 21 HB1 PHE 21 18.869 12.926 3.735 176 HD1 PHE 21 HD1 PHE 21 15.382 12.688 5.009 177 HD2 PHE 21 HD2 PHE 21 18.589 15.312 3.943 178 HE1 PHE 21 HE1 PHE 21 13.863 14.613 5.164 179 HE2 PHE 21 HE2 PHE 21 17.061 17.230 4.105 180 HZ PHE 21 HZ PHE 21 14.705 16.887 4.727 181 H LEU 22 HN LEU 22 15.348 10.716 2.729 182 HA LEU 22 HA LEU 22 16.630 10.087 0.218 183 HB2 LEU 22 HB2 LEU 22 13.734 9.938 1.091 184 HB3 LEU 22 HB1 LEU 22 14.340 9.355 -0.454 185 HG LEU 22 HG LEU 22 14.927 8.232 2.311 186 HD11 LEU 22 HD11 LEU 22 13.594 7.001 -0.117 187 HD12 LEU 22 HD12 LEU 22 12.781 7.596 1.331 188 HD13 LEU 22 HD13 LEU 22 13.865 6.219 1.440 189 HD21 LEU 22 HD21 LEU 22 16.354 6.540 1.197 190 HD22 LEU 22 HD22 LEU 22 17.022 8.162 1.064 191 HD23 LEU 22 HD23 LEU 22 16.215 7.425 -0.326 192 H LYS 23 HN LYS 23 15.205 10.684 -1.759 193 HA LYS 23 HA LYS 23 13.739 13.214 -1.623 194 HB2 LYS 23 HB2 LYS 23 16.105 13.686 -2.491 195 HB3 LYS 23 HB1 LYS 23 15.783 12.594 -3.826 196 HG2 LYS 23 HG2 LYS 23 14.234 15.159 -3.290 197 HG3 LYS 23 HG1 LYS 23 15.616 15.039 -4.381 198 HD2 LYS 23 HD2 LYS 23 14.307 13.317 -5.704 199 HD3 LYS 23 HD1 LYS 23 12.918 13.667 -4.664 200 HE2 LYS 23 HE2 LYS 23 12.900 15.992 -5.451 201 HE3 LYS 23 HE1 LYS 23 14.319 15.685 -6.457 202 HZ1 LYS 23 HZ1 LYS 23 12.193 15.604 -7.673 203 HZ2 LYS 23 HZ2 LYS 23 11.726 14.264 -6.752 204 HZ3 LYS 23 HZ3 LYS 23 13.066 14.164 -7.778 205 H TRP 24 HN TRP 24 11.737 12.514 -2.246 206 HA TRP 24 HA TRP 24 11.422 9.907 -3.448 207 HB2 TRP 24 HB2 TRP 24 9.323 11.961 -2.617 208 HB3 TRP 24 HB1 TRP 24 8.980 10.306 -3.111 209 HD1 TRP 24 HD1 TRP 24 10.118 12.349 -0.143 210 HE1 TRP 24 HE1 TRP 24 10.350 10.828 1.922 211 HE3 TRP 24 HE3 TRP 24 9.569 7.819 -2.423 212 HZ2 TRP 24 HZ2 TRP 24 10.310 8.078 2.499 213 HZ3 TRP 24 HZ3 TRP 24 9.670 5.782 -1.049 214 HH2 TRP 24 HH2 TRP 24 10.035 5.908 1.367 215 H LYS 25 HN LYS 25 10.518 9.404 -5.386 216 HA LYS 25 HA LYS 25 10.507 11.356 -7.533 217 HB2 LYS 25 HB2 LYS 25 11.446 9.099 -7.897 218 HB3 LYS 25 HB1 LYS 25 9.907 8.375 -7.481 219 HG2 LYS 25 HG2 LYS 25 10.063 8.213 -9.829 220 HG3 LYS 25 HG1 LYS 25 8.925 9.524 -9.534 221 HD2 LYS 25 HD2 LYS 25 11.866 10.070 -10.068 222 HD3 LYS 25 HD1 LYS 25 10.736 9.818 -11.393 223 HE2 LYS 25 HE2 LYS 25 9.423 11.776 -10.654 224 HE3 LYS 25 HE1 LYS 25 10.511 11.999 -9.286 225 HZ1 LYS 25 HZ1 LYS 25 12.305 12.441 -10.805 226 HZ2 LYS 25 HZ2 LYS 25 11.014 13.489 -11.111 227 HZ3 LYS 25 HZ3 LYS 25 11.296 12.173 -12.134 228 H GLY 26 HN GLY 26 8.210 9.450 -5.610 229 HA2 GLY 26 HA2 GLY 26 5.840 10.125 -7.083 230 HA3 GLY 26 HA1 GLY 26 5.908 9.416 -5.478 231 H PHE 27 HN PHE 27 7.607 11.677 -4.502 232 HA PHE 27 HA PHE 27 5.458 13.697 -4.109 233 HB2 PHE 27 HB2 PHE 27 7.429 12.675 -2.001 234 HB3 PHE 27 HB1 PHE 27 6.189 13.901 -1.749 235 HD1 PHE 27 HD1 PHE 27 3.788 13.286 -1.700 236 HD2 PHE 27 HD2 PHE 27 6.847 10.322 -2.066 237 HE1 PHE 27 HE1 PHE 27 2.166 11.528 -1.113 238 HE2 PHE 27 HE2 PHE 27 5.220 8.585 -1.480 239 HZ PHE 27 HZ PHE 27 2.885 9.178 -1.003 240 H THR 28 HN THR 28 6.417 15.750 -3.044 241 HA THR 28 HA THR 28 8.269 16.871 -4.902 242 HB THR 28 HB THR 28 7.991 18.966 -3.550 243 HG1 THR 28 HG1 THR 28 7.322 18.809 -1.565 244 HG21 THR 28 HG21 THR 28 5.572 19.291 -3.930 245 HG22 THR 28 HG22 THR 28 5.362 17.553 -4.151 246 HG23 THR 28 HG23 THR 28 6.320 18.480 -5.311 247 H ASP 29 HN ASP 29 10.214 18.176 -4.172 248 HA ASP 29 HA ASP 29 12.104 16.344 -3.074 249 HB2 ASP 29 HB2 ASP 29 13.807 17.969 -3.629 250 HB3 ASP 29 HB1 ASP 29 12.626 17.959 -4.928 251 H ALA 30 HN ALA 30 10.371 19.055 -1.737 252 HA ALA 30 HA ALA 30 11.967 19.238 0.691 253 HB1 ALA 30 HB1 ALA 30 10.907 21.254 -0.270 254 HB2 ALA 30 HB2 ALA 30 10.369 20.963 1.385 255 HB3 ALA 30 HB3 ALA 30 9.311 20.564 0.026 256 H ASP 31 HN ASP 31 9.290 17.374 -0.424 257 HA ASP 31 HA ASP 31 8.160 16.771 2.195 258 HB2 ASP 31 HB2 ASP 31 6.855 16.927 -0.028 259 HB3 ASP 31 HB1 ASP 31 7.556 15.369 -0.445 260 H ASN 32 HN ASN 32 10.932 15.870 0.687 261 HA ASN 32 HA ASN 32 11.238 13.134 0.972 262 HB2 ASN 32 HB2 ASN 32 13.627 13.550 0.994 263 HB3 ASN 32 HB1 ASN 32 12.852 14.618 -0.155 264 HD21 ASN 32 HD21 ASN 32 15.424 14.866 1.093 265 HD22 ASN 32 HD22 ASN 32 15.433 16.379 1.920 266 H THR 33 HN THR 33 12.176 11.814 2.568 267 HA THR 33 HA THR 33 12.157 12.763 5.351 268 HB THR 33 HB THR 33 10.727 10.628 5.897 269 HG1 THR 33 HG1 THR 33 10.371 9.553 4.088 270 HG21 THR 33 HG21 THR 33 8.590 11.818 5.621 271 HG22 THR 33 HG22 THR 33 9.367 12.976 4.540 272 HG23 THR 33 HG23 THR 33 9.838 12.906 6.240 273 H TRP 34 HN TRP 34 13.085 11.283 6.850 274 HA TRP 34 HA TRP 34 15.356 9.788 5.908 275 HB2 TRP 34 HB2 TRP 34 14.160 10.155 8.688 276 HB3 TRP 34 HB1 TRP 34 15.649 9.269 8.365 277 HD1 TRP 34 HD1 TRP 34 14.279 12.849 8.568 278 HE1 TRP 34 HE1 TRP 34 16.278 14.472 8.537 279 HE3 TRP 34 HE3 TRP 34 17.985 9.515 7.484 280 HZ2 TRP 34 HZ2 TRP 34 19.069 14.341 8.086 281 HZ3 TRP 34 HZ3 TRP 34 20.283 10.327 7.244 282 HH2 TRP 34 HH2 TRP 34 20.820 12.697 7.544 283 H GLU 35 HN GLU 35 15.130 7.756 5.117 284 HA GLU 35 HA GLU 35 13.353 5.870 6.560 285 HB2 GLU 35 HB2 GLU 35 14.001 5.773 3.596 286 HB3 GLU 35 HB1 GLU 35 12.970 4.643 4.470 287 HG2 GLU 35 HG2 GLU 35 12.420 7.531 3.746 288 HG3 GLU 35 HG1 GLU 35 11.570 6.093 3.201 289 HA PRO 36 HA PRO 36 17.293 3.816 7.233 290 HB2 PRO 36 HB2 PRO 36 16.389 1.509 8.367 291 HB3 PRO 36 HB1 PRO 36 16.374 3.060 9.217 292 HG2 PRO 36 HG2 PRO 36 14.115 1.659 7.789 293 HG3 PRO 36 HG1 PRO 36 14.106 2.468 9.372 294 HD2 PRO 36 HD2 PRO 36 13.177 3.669 7.100 295 HD3 PRO 36 HD1 PRO 36 13.911 4.586 8.433 296 H GLU 37 HN GLU 37 18.544 2.150 6.402 297 HA GLU 37 HA GLU 37 18.144 1.325 3.776 298 HB2 GLU 37 HB2 GLU 37 20.081 -0.402 4.423 299 HB3 GLU 37 HB1 GLU 37 20.393 1.312 4.273 300 HG2 GLU 37 HG2 GLU 37 21.504 0.214 6.222 301 HG3 GLU 37 HG1 GLU 37 20.523 1.612 6.624 302 H GLU 38 HN GLU 38 17.205 -0.231 6.738 303 HA GLU 38 HA GLU 38 16.678 -2.829 5.736 304 HB2 GLU 38 HB2 GLU 38 15.290 -3.130 7.788 305 HB3 GLU 38 HB1 GLU 38 16.867 -2.433 8.141 306 HG2 GLU 38 HG2 GLU 38 15.884 -0.222 8.389 307 HG3 GLU 38 HG1 GLU 38 14.303 -0.833 7.913 308 H ASN 39 HN ASN 39 14.785 0.145 5.723 309 HA ASN 39 HA ASN 39 12.403 -1.137 4.577 310 HB2 ASN 39 HB2 ASN 39 12.964 1.700 5.509 311 HB3 ASN 39 HB1 ASN 39 11.482 1.264 4.663 312 HD21 ASN 39 HD21 ASN 39 10.062 1.635 6.283 313 HD22 ASN 39 HD22 ASN 39 10.037 0.763 7.777 314 H LEU 40 HN LEU 40 15.229 0.547 3.534 315 HA LEU 40 HA LEU 40 14.181 1.478 1.013 316 HB2 LEU 40 HB2 LEU 40 17.065 1.088 1.914 317 HB3 LEU 40 HB1 LEU 40 16.579 1.854 0.406 318 HG LEU 40 HG LEU 40 16.142 2.905 3.226 319 HD11 LEU 40 HD11 LEU 40 17.529 4.784 2.497 320 HD12 LEU 40 HD12 LEU 40 17.740 4.041 0.909 321 HD13 LEU 40 HD13 LEU 40 18.399 3.256 2.349 322 HD21 LEU 40 HD21 LEU 40 14.133 3.358 1.915 323 HD22 LEU 40 HD22 LEU 40 15.102 4.085 0.632 324 HD23 LEU 40 HD23 LEU 40 15.026 4.844 2.225 325 H ASP 41 HN ASP 41 13.762 0.203 -0.688 326 HA ASP 41 HA ASP 41 15.229 -2.349 -1.026 327 HB2 ASP 41 HB2 ASP 41 12.662 -2.306 -1.030 328 HB3 ASP 41 HB1 ASP 41 12.748 -1.405 -2.541 329 H CYS 42 HN CYS 42 16.206 0.438 -1.492 330 HA CYS 42 HA CYS 42 16.850 0.337 -4.383 331 HB2 CYS 42 HB2 CYS 42 17.308 2.795 -4.090 332 HB3 CYS 42 HB1 CYS 42 15.635 2.352 -3.767 333 HG CYS 42 HG CYS 42 17.952 2.824 -1.295 334 HA PRO 43 HA PRO 43 20.984 -0.581 -2.408 335 HB2 PRO 43 HB2 PRO 43 21.392 -2.268 -4.813 336 HB3 PRO 43 HB1 PRO 43 21.488 -2.717 -3.109 337 HG2 PRO 43 HG2 PRO 43 19.481 -3.575 -4.704 338 HG3 PRO 43 HG1 PRO 43 19.225 -3.231 -2.979 339 HD2 PRO 43 HD2 PRO 43 18.590 -1.495 -5.375 340 HD3 PRO 43 HD1 PRO 43 17.586 -1.853 -3.951 341 H GLU 44 HN GLU 44 20.005 0.113 -5.702 342 HA GLU 44 HA GLU 44 22.354 0.989 -6.902 343 HB2 GLU 44 HB2 GLU 44 20.297 0.560 -8.152 344 HB3 GLU 44 HB1 GLU 44 19.466 1.858 -7.305 345 HG2 GLU 44 HG2 GLU 44 20.902 3.516 -8.411 346 HG3 GLU 44 HG1 GLU 44 21.772 2.226 -9.241 347 H LEU 45 HN LEU 45 19.902 2.881 -5.122 348 HA LEU 45 HA LEU 45 21.138 5.423 -5.518 349 HB2 LEU 45 HB2 LEU 45 19.055 4.607 -3.468 350 HB3 LEU 45 HB1 LEU 45 19.471 6.265 -3.896 351 HG LEU 45 HG LEU 45 18.108 4.207 -5.674 352 HD11 LEU 45 HD11 LEU 45 16.197 5.754 -5.592 353 HD12 LEU 45 HD12 LEU 45 17.077 6.783 -4.459 354 HD13 LEU 45 HD13 LEU 45 16.631 5.140 -3.997 355 HD21 LEU 45 HD21 LEU 45 17.953 5.971 -7.384 356 HD22 LEU 45 HD22 LEU 45 19.625 5.539 -7.045 357 HD23 LEU 45 HD23 LEU 45 18.952 7.037 -6.392 358 H ILE 46 HN ILE 46 21.211 3.043 -2.895 359 HA ILE 46 HA ILE 46 22.579 4.625 -0.968 360 HB ILE 46 HB ILE 46 22.308 1.608 -1.286 361 HG12 ILE 46 HG12 ILE 46 21.047 3.602 0.654 362 HG13 ILE 46 HG11 ILE 46 20.234 2.819 -0.697 363 HG21 ILE 46 HG21 ILE 46 23.643 3.054 1.029 364 HG22 ILE 46 HG22 ILE 46 24.430 1.969 -0.121 365 HG23 ILE 46 HG23 ILE 46 23.223 1.339 1.000 366 HD11 ILE 46 HD11 ILE 46 20.503 0.648 0.442 367 HD12 ILE 46 HD12 ILE 46 19.583 1.813 1.394 368 HD13 ILE 46 HD13 ILE 46 21.264 1.475 1.804 369 H GLU 47 HN GLU 47 23.760 2.190 -3.313 370 HA GLU 47 HA GLU 47 26.509 2.363 -2.802 371 HB2 GLU 47 HB2 GLU 47 25.588 0.584 -4.230 372 HB3 GLU 47 HB1 GLU 47 25.077 1.768 -5.431 373 HG2 GLU 47 HG2 GLU 47 27.522 2.360 -5.754 374 HG3 GLU 47 HG1 GLU 47 27.927 1.017 -4.701 375 H ALA 48 HN ALA 48 24.518 4.114 -5.174 376 HA ALA 48 HA ALA 48 26.548 5.600 -6.425 377 HB1 ALA 48 HB1 ALA 48 24.302 5.288 -7.401 378 HB2 ALA 48 HB2 ALA 48 24.722 7.002 -7.320 379 HB3 ALA 48 HB3 ALA 48 23.604 6.303 -6.141 380 H PHE 49 HN PHE 49 24.514 6.319 -3.619 381 HA PHE 49 HA PHE 49 25.275 9.010 -3.164 382 HB2 PHE 49 HB2 PHE 49 23.272 8.157 -2.118 383 HB3 PHE 49 HB1 PHE 49 24.153 6.852 -1.331 384 HD1 PHE 49 HD2 PHE 49 24.004 10.601 -1.449 385 HD2 PHE 49 HD1 PHE 49 24.800 7.122 0.907 386 HE1 PHE 49 HE2 PHE 49 24.340 12.009 0.531 387 HE2 PHE 49 HE1 PHE 49 25.143 8.545 2.872 388 HZ PHE 49 HZ PHE 49 24.915 10.982 2.690 389 H LEU 50 HN LEU 50 26.603 5.937 -1.934 390 HA LEU 50 HA LEU 50 28.563 7.078 -0.183 391 HB2 LEU 50 HB2 LEU 50 28.447 4.322 -1.477 392 HB3 LEU 50 HB1 LEU 50 29.527 4.766 -0.159 393 HG LEU 50 HG LEU 50 26.488 4.754 0.014 394 HD11 LEU 50 HD11 LEU 50 26.715 2.755 1.395 395 HD12 LEU 50 HD12 LEU 50 28.460 2.742 1.120 396 HD13 LEU 50 HD13 LEU 50 27.349 2.492 -0.230 397 HD21 LEU 50 HD21 LEU 50 27.495 6.408 1.513 398 HD22 LEU 50 HD22 LEU 50 28.551 5.171 2.201 399 HD23 LEU 50 HD23 LEU 50 26.802 5.066 2.425 400 H ASN 51 HN ASN 51 28.562 6.059 -3.560 401 HA ASN 51 HA ASN 51 31.304 6.440 -4.184 402 HB2 ASN 51 HB2 ASN 51 28.821 6.500 -5.952 403 HB3 ASN 51 HB1 ASN 51 30.460 6.580 -6.591 404 HD21 ASN 51 HD21 ASN 51 28.410 4.595 -7.099 405 HD22 ASN 51 HD22 ASN 51 29.063 3.071 -6.613 406 H SER 52 HN SER 52 28.549 8.627 -4.007 407 HA SER 52 HA SER 52 29.735 10.890 -5.283 408 HB2 SER 52 HB2 SER 52 27.429 10.726 -3.291 409 HB3 SER 52 HB1 SER 52 27.856 12.173 -4.209 410 HG SER 52 HG SER 52 27.214 9.693 -5.418 411 H GLN 53 HN GLN 53 29.584 9.738 -1.936 412 HA GLN 53 HA GLN 53 30.761 12.045 -0.701 413 HB2 GLN 53 HB2 GLN 53 30.471 9.187 0.305 414 HB3 GLN 53 HB1 GLN 53 31.001 10.548 1.298 415 HG2 GLN 53 HG2 GLN 53 28.809 11.642 0.929 416 HG3 GLN 53 HG1 GLN 53 28.284 10.247 -0.021 417 HE21 GLN 53 HE21 GLN 53 27.968 8.258 1.037 418 HE22 GLN 53 HE22 GLN 53 27.693 8.178 2.739 419 H LYS 54 HN LYS 54 32.030 9.181 -2.212 420 HA LYS 54 HA LYS 54 34.780 9.786 -1.289 421 HB2 LYS 54 HB2 LYS 54 33.571 7.222 -2.423 422 HB3 LYS 54 HB1 LYS 54 35.263 7.430 -1.973 423 HG2 LYS 54 HG2 LYS 54 34.645 7.735 0.371 424 HG3 LYS 54 HG1 LYS 54 32.932 7.691 -0.047 425 HD2 LYS 54 HD2 LYS 54 33.696 5.551 0.934 426 HD3 LYS 54 HD1 LYS 54 33.116 5.340 -0.719 427 HE2 LYS 54 HE2 LYS 54 35.158 4.028 -0.320 428 HE3 LYS 54 HE1 LYS 54 35.456 5.278 -1.526 429 HZ1 LYS 54 HZ1 LYS 54 36.194 5.446 1.344 430 HZ2 LYS 54 HZ2 LYS 54 36.520 6.620 0.172 431 HZ3 LYS 54 HZ3 LYS 54 37.257 5.099 0.077 432 H1 ALA 1 HT1 ALA 1 14.990 2.614 -20.286 433 H2 ALA 1 HT2 ALA 1 13.608 2.919 -19.361 434 H3 ALA 1 HT3 ALA 1 15.080 2.612 -18.596 435 HA ALA 1 HA ALA 1 16.026 4.618 -19.466 436 HB1 ALA 1 HB1 ALA 1 14.758 4.698 -21.567 437 HB2 ALA 1 HB2 ALA 1 14.638 6.233 -20.703 438 HB3 ALA 1 HB3 ALA 1 13.288 5.095 -20.675 439 H ARG 2 HN ARG 2 13.051 3.789 -17.882 440 HA ARG 2 HA ARG 2 13.078 6.185 -16.175 441 HB2 ARG 2 HB2 ARG 2 11.051 3.918 -16.394 442 HB3 ARG 2 HB1 ARG 2 10.877 5.348 -15.375 443 HG2 ARG 2 HG2 ARG 2 10.972 5.290 -18.416 444 HG3 ARG 2 HG1 ARG 2 9.556 5.601 -17.406 445 HD2 ARG 2 HD2 ARG 2 10.616 7.659 -16.545 446 HD3 ARG 2 HD1 ARG 2 12.036 7.356 -17.550 447 HE ARG 2 HE ARG 2 10.381 7.500 -19.484 448 HH11 ARG 2 HH11 ARG 2 9.923 9.333 -16.511 449 HH12 ARG 2 HH12 ARG 2 9.147 10.659 -17.311 450 HH21 ARG 2 HH21 ARG 2 9.380 9.227 -20.512 451 HH22 ARG 2 HH22 ARG 2 8.826 10.592 -19.598 452 H THR 3 HN THR 3 14.548 6.001 -14.635 453 HA THR 3 HA THR 3 15.172 3.500 -13.292 454 HB THR 3 HB THR 3 16.903 4.884 -12.086 455 HG1 THR 3 HG1 THR 3 16.013 6.939 -12.112 456 HG21 THR 3 HG21 THR 3 18.346 5.275 -14.057 457 HG22 THR 3 HG22 THR 3 16.941 5.138 -15.117 458 HG23 THR 3 HG23 THR 3 17.486 3.737 -14.191 459 H LYS 4 HN LYS 4 13.182 3.100 -12.256 460 HA LYS 4 HA LYS 4 12.436 4.857 -10.007 461 HB2 LYS 4 HB2 LYS 4 11.014 2.481 -11.273 462 HB3 LYS 4 HB1 LYS 4 10.453 3.279 -9.802 463 HG2 LYS 4 HG2 LYS 4 10.275 5.419 -11.117 464 HG3 LYS 4 HG1 LYS 4 10.664 4.494 -12.577 465 HD2 LYS 4 HD2 LYS 4 8.659 3.103 -12.248 466 HD3 LYS 4 HD1 LYS 4 8.291 3.950 -10.742 467 HE2 LYS 4 HE2 LYS 4 7.970 6.047 -12.019 468 HE3 LYS 4 HE1 LYS 4 8.320 5.181 -13.517 469 HZ1 LYS 4 HZ1 LYS 4 6.385 3.768 -13.067 470 HZ2 LYS 4 HZ2 LYS 4 5.964 5.397 -13.219 471 HZ3 LYS 4 HZ3 LYS 4 6.031 4.682 -11.689 472 H GLN 5 HN GLN 5 12.956 4.345 -8.000 473 HA GLN 5 HA GLN 5 13.711 1.576 -7.271 474 HB2 GLN 5 HB2 GLN 5 14.879 4.228 -6.321 475 HB3 GLN 5 HB1 GLN 5 15.170 2.700 -5.504 476 HG2 GLN 5 HG2 GLN 5 15.924 3.242 -8.394 477 HG3 GLN 5 HG1 GLN 5 17.017 3.442 -7.025 478 HE21 GLN 5 HE21 GLN 5 15.332 1.125 -9.032 479 HE22 GLN 5 HE22 GLN 5 16.200 -0.267 -8.494 480 H THR 6 HN THR 6 12.746 0.795 -5.412 481 HA THR 6 HA THR 6 10.439 2.330 -4.414 482 HB THR 6 HB THR 6 9.692 0.038 -3.559 483 HG1 THR 6 HG1 THR 6 11.222 -1.427 -3.603 484 HG21 THR 6 HG21 THR 6 8.805 0.963 -5.688 485 HG22 THR 6 HG22 THR 6 8.979 -0.792 -5.764 486 HG23 THR 6 HG23 THR 6 10.167 0.246 -6.555 487 H ALA 7 HN ALA 7 10.012 2.599 -2.254 488 HA ALA 7 HA ALA 7 11.773 1.574 -0.173 489 HB1 ALA 7 HB1 ALA 7 11.408 4.568 -0.570 490 HB2 ALA 7 HB2 ALA 7 12.900 3.666 -0.832 491 HB3 ALA 7 HB3 ALA 7 12.227 3.798 0.794 492 H ARG 8 HN ARG 8 10.786 1.524 1.814 493 HA ARG 8 HA ARG 8 7.867 2.004 1.881 494 HB2 ARG 8 HB2 ARG 8 9.626 0.079 3.480 495 HB3 ARG 8 HB1 ARG 8 7.873 0.209 3.625 496 HG2 ARG 8 HG2 ARG 8 7.537 -0.678 1.412 497 HG3 ARG 8 HG1 ARG 8 9.254 -0.545 1.028 498 HD2 ARG 8 HD2 ARG 8 8.572 -2.881 1.474 499 HD3 ARG 8 HD1 ARG 8 9.789 -2.315 2.617 500 HE ARG 8 HE ARG 8 7.828 -1.920 4.174 501 HH11 ARG 8 HH11 ARG 8 7.727 -4.458 1.741 502 HH12 ARG 8 HH12 ARG 8 6.682 -5.463 2.686 503 HH21 ARG 8 HH21 ARG 8 6.482 -3.273 5.399 504 HH22 ARG 8 HH22 ARG 8 5.989 -4.807 4.759 505 H M3L 9 HN M3L 9 7.112 3.499 3.374 506 HA M3L 9 HA M3L 9 9.019 4.976 4.951 507 HB2 M3L 9 HB2 M3L 9 6.011 5.239 4.637 508 HB3 M3L 9 HB1 M3L 9 6.938 6.246 5.752 509 HG2 M3L 9 HG2 M3L 9 8.370 6.940 3.757 510 HG3 M3L 9 HG1 M3L 9 7.182 6.134 2.723 511 HD2 M3L 9 HD2 M3L 9 5.434 7.673 3.428 512 HD3 M3L 9 HD1 M3L 9 6.480 8.371 4.674 513 HE2 M3L 9 HE2 M3L 9 8.030 9.156 2.857 514 HE3 M3L 9 HE1 M3L 9 6.886 8.554 1.658 515 HM11 M3L 9 HH33 M3L 9 6.420 12.253 1.698 516 HM12 M3L 9 HH31 M3L 9 6.872 10.873 0.689 517 HM13 M3L 9 HH32 M3L 9 7.958 11.429 1.962 518 HM21 M3L 9 HH11 M3L 9 4.268 11.095 2.286 519 HM22 M3L 9 HH12 M3L 9 4.291 9.482 2.998 520 HM23 M3L 9 HH13 M3L 9 4.721 9.699 1.301 521 HM31 M3L 9 HH21 M3L 9 5.817 10.302 4.796 522 HM32 M3L 9 HH22 M3L 9 5.857 11.921 4.091 523 HM33 M3L 9 HH23 M3L 9 7.361 11.043 4.379 524 H SER 10 HN SER 10 9.646 4.574 6.877 525 HA SER 10 HA SER 10 8.718 2.422 8.496 526 HB2 SER 10 HB2 SER 10 11.117 3.114 8.348 527 HB3 SER 10 HB1 SER 10 10.721 4.632 9.150 528 HG SER 10 HG SER 10 10.380 3.579 11.018 529 H THR 11 HN THR 11 6.528 3.011 8.826 530 HA THR 11 HA THR 11 5.794 5.301 10.419 531 HB THR 11 HB THR 11 3.517 4.133 10.457 532 HG1 THR 11 HG1 THR 11 4.827 2.011 9.837 533 HG21 THR 11 HG21 THR 11 4.033 5.820 8.722 534 HG22 THR 11 HG22 THR 11 3.014 4.531 8.079 535 HG23 THR 11 HG23 THR 11 4.737 4.555 7.704 536 H GLY 12 HN GLY 12 7.043 5.130 12.266 537 HA2 GLY 12 HA2 GLY 12 7.132 4.514 14.567 538 HA3 GLY 12 HA1 GLY 12 6.463 2.936 14.162 539 H GLY 13 HN GLY 13 8.222 1.949 15.324 540 HA2 GLY 13 HA2 GLY 13 10.524 1.282 13.766 541 HA3 GLY 13 HA1 GLY 13 10.949 2.415 15.051 542 H LYS 14 HN LYS 14 10.636 -0.830 14.308 543 HA LYS 14 HA LYS 14 9.575 -1.846 16.781 544 HB2 LYS 14 HB2 LYS 14 9.399 -3.058 14.586 545 HB3 LYS 14 HB1 LYS 14 11.135 -3.314 14.608 546 HG2 LYS 14 HG2 LYS 14 10.269 -5.371 15.310 547 HG3 LYS 14 HG1 LYS 14 10.748 -4.606 16.822 548 HD2 LYS 14 HD2 LYS 14 7.887 -4.545 15.769 549 HD3 LYS 14 HD1 LYS 14 8.489 -5.847 16.790 550 HE2 LYS 14 HE2 LYS 14 8.963 -4.187 18.584 551 HE3 LYS 14 HE1 LYS 14 8.306 -2.912 17.557 552 HZ1 LYS 14 HZ1 LYS 14 6.820 -5.259 18.579 553 HZ2 LYS 14 HZ2 LYS 14 6.184 -4.072 17.562 554 HZ3 LYS 14 HZ3 LYS 14 6.677 -3.671 19.131 555 H ALA 15 HN ALA 15 10.870 -0.868 18.376 556 HA ALA 15 HA ALA 15 13.648 -1.793 18.682 557 HB1 ALA 15 HB1 ALA 15 13.235 0.620 18.998 558 HB2 ALA 15 HB2 ALA 15 13.766 -0.121 20.510 559 HB3 ALA 15 HB3 ALA 15 12.061 0.269 20.267 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 3.655 2.351 3.712 2 H2 GLY 1 HT2 GLY 1 2.134 1.678 3.409 3 H3 GLY 1 HT3 GLY 1 2.769 2.850 2.365 4 HA2 GLY 1 HA1 GLY 1 3.823 0.116 2.796 5 HA3 GLY 1 HA2 GLY 1 2.963 0.687 1.373 6 H GLU 2 HN GLU 2 4.751 0.145 0.062 7 HA GLU 2 HA GLU 2 7.278 1.597 0.368 8 HB2 GLU 2 HB2 GLU 2 6.409 -0.468 -1.711 9 HB3 GLU 2 HB1 GLU 2 8.007 0.265 -1.622 10 HG2 GLU 2 HG2 GLU 2 8.158 -1.923 -0.677 11 HG3 GLU 2 HG1 GLU 2 8.312 -0.753 0.625 12 H PHE 3 HN PHE 3 8.015 3.069 -1.181 13 HA PHE 3 HA PHE 3 6.247 3.974 -3.328 14 HB2 PHE 3 HB2 PHE 3 5.679 5.243 -1.141 15 HB3 PHE 3 HB1 PHE 3 7.273 5.977 -1.252 16 HD1 PHE 3 HD2 PHE 3 3.924 5.765 -2.812 17 HD2 PHE 3 HD1 PHE 3 7.719 7.731 -2.909 18 HE1 PHE 3 HE2 PHE 3 3.006 7.475 -4.320 19 HE2 PHE 3 HE1 PHE 3 6.793 9.431 -4.415 20 HZ PHE 3 HZ PHE 3 4.437 9.306 -5.125 21 H VAL 4 HN VAL 4 7.347 5.338 -4.861 22 HA VAL 4 HA VAL 4 10.075 4.637 -5.307 23 HB VAL 4 HB VAL 4 9.906 6.272 -7.301 24 HG11 VAL 4 HG11 VAL 4 9.625 3.847 -7.564 25 HG12 VAL 4 HG12 VAL 4 8.526 4.723 -8.633 26 HG13 VAL 4 HG13 VAL 4 7.914 3.985 -7.152 27 HG21 VAL 4 HG21 VAL 4 7.643 6.988 -7.988 28 HG22 VAL 4 HG22 VAL 4 8.083 7.713 -6.438 29 HG23 VAL 4 HG23 VAL 4 6.972 6.341 -6.486 30 H VAL 5 HN VAL 5 11.587 5.453 -4.017 31 HA VAL 5 HA VAL 5 11.849 8.318 -3.550 32 HB VAL 5 HB VAL 5 12.705 6.937 -1.773 33 HG11 VAL 5 HG11 VAL 5 13.113 4.845 -3.001 34 HG12 VAL 5 HG12 VAL 5 14.516 5.288 -2.026 35 HG13 VAL 5 HG13 VAL 5 14.533 5.559 -3.772 36 HG21 VAL 5 HG21 VAL 5 14.011 8.982 -2.189 37 HG22 VAL 5 HG22 VAL 5 15.074 8.102 -3.290 38 HG23 VAL 5 HG23 VAL 5 15.057 7.700 -1.571 39 H GLU 6 HN GLU 6 13.105 9.683 -4.725 40 HA GLU 6 HA GLU 6 13.972 8.916 -7.357 41 HB2 GLU 6 HB2 GLU 6 12.905 11.126 -6.836 42 HB3 GLU 6 HB1 GLU 6 14.330 11.578 -5.914 43 HG2 GLU 6 HG2 GLU 6 15.698 11.620 -7.885 44 HG3 GLU 6 HG1 GLU 6 14.442 10.844 -8.845 45 H LYS 7 HN LYS 7 15.658 10.292 -4.484 46 HA LYS 7 HA LYS 7 17.920 8.554 -4.828 47 HB2 LYS 7 HB2 LYS 7 19.646 10.235 -5.162 48 HB3 LYS 7 HB1 LYS 7 18.493 10.295 -6.487 49 HG2 LYS 7 HG2 LYS 7 17.538 12.345 -5.717 50 HG3 LYS 7 HG1 LYS 7 18.337 12.221 -4.145 51 HD2 LYS 7 HD2 LYS 7 19.764 12.623 -6.811 52 HD3 LYS 7 HD1 LYS 7 19.421 13.901 -5.644 53 HE2 LYS 7 HE2 LYS 7 20.889 12.854 -3.998 54 HE3 LYS 7 HE1 LYS 7 21.136 11.458 -5.043 55 HZ1 LYS 7 HZ1 LYS 7 22.006 14.230 -5.621 56 HZ2 LYS 7 HZ2 LYS 7 22.241 12.897 -6.632 57 HZ3 LYS 7 HZ3 LYS 7 22.998 12.954 -5.122 58 H VAL 8 HN VAL 8 19.570 8.846 -3.177 59 HA VAL 8 HA VAL 8 18.585 9.729 -0.582 60 HB VAL 8 HB VAL 8 21.226 8.430 -1.397 61 HG11 VAL 8 HG11 VAL 8 21.501 9.797 0.658 62 HG12 VAL 8 HG12 VAL 8 21.671 8.076 0.987 63 HG13 VAL 8 HG13 VAL 8 20.177 8.907 1.420 64 HG21 VAL 8 HG21 VAL 8 19.303 6.908 -1.689 65 HG22 VAL 8 HG22 VAL 8 18.810 7.196 -0.017 66 HG23 VAL 8 HG23 VAL 8 20.334 6.372 -0.357 67 H LEU 9 HN LEU 9 19.231 11.558 0.443 68 HA LEU 9 HA LEU 9 21.062 13.420 -0.932 69 HB2 LEU 9 HB2 LEU 9 19.012 13.959 1.248 70 HB3 LEU 9 HB1 LEU 9 20.052 15.173 0.517 71 HG LEU 9 HG LEU 9 17.832 13.627 -0.888 72 HD11 LEU 9 HD11 LEU 9 16.712 15.810 -1.064 73 HD12 LEU 9 HD12 LEU 9 18.010 16.564 -0.134 74 HD13 LEU 9 HD13 LEU 9 16.973 15.348 0.618 75 HD21 LEU 9 HD21 LEU 9 19.661 14.021 -2.469 76 HD22 LEU 9 HD22 LEU 9 19.698 15.735 -2.043 77 HD23 LEU 9 HD23 LEU 9 18.285 15.055 -2.857 78 H ASP 10 HN ASP 10 20.503 11.768 2.175 79 HA ASP 10 HA ASP 10 23.196 12.425 3.094 80 HB2 ASP 10 HB2 ASP 10 21.604 14.343 3.790 81 HB3 ASP 10 HB1 ASP 10 20.842 13.187 4.878 82 H ARG 11 HN ARG 11 23.661 11.341 5.226 83 HA ARG 11 HA ARG 11 22.172 8.817 5.644 84 HB2 ARG 11 HB2 ARG 11 24.193 8.497 4.144 85 HB3 ARG 11 HB1 ARG 11 25.208 9.094 5.451 86 HG2 ARG 11 HG2 ARG 11 24.496 7.155 6.847 87 HG3 ARG 11 HG1 ARG 11 23.527 6.564 5.493 88 HD2 ARG 11 HD2 ARG 11 25.670 6.497 4.125 89 HD3 ARG 11 HD1 ARG 11 26.551 6.850 5.619 90 HE ARG 11 HE ARG 11 24.782 4.492 5.440 91 HH11 ARG 11 HH11 ARG 11 28.038 5.739 5.881 92 HH12 ARG 11 HH12 ARG 11 28.683 4.188 6.312 93 HH21 ARG 11 HH21 ARG 11 25.652 2.483 6.017 94 HH22 ARG 11 HH22 ARG 11 27.344 2.354 6.373 95 H ARG 12 HN ARG 12 22.136 8.142 7.809 96 HA ARG 12 HA ARG 12 23.829 9.372 9.840 97 HB2 ARG 12 HB2 ARG 12 22.106 10.277 11.218 98 HB3 ARG 12 HB1 ARG 12 21.741 10.863 9.600 99 HG2 ARG 12 HG2 ARG 12 19.992 9.115 9.366 100 HG3 ARG 12 HG1 ARG 12 20.352 8.546 11.000 101 HD2 ARG 12 HD2 ARG 12 19.708 10.784 11.889 102 HD3 ARG 12 HD1 ARG 12 19.302 11.300 10.244 103 HE ARG 12 HE ARG 12 17.908 8.911 11.071 104 HH11 ARG 12 HH11 ARG 12 17.797 12.430 11.164 105 HH12 ARG 12 HH12 ARG 12 16.087 12.482 11.424 106 HH21 ARG 12 HH21 ARG 12 15.673 9.003 11.415 107 HH22 ARG 12 HH22 ARG 12 14.882 10.540 11.574 108 H VAL 13 HN VAL 13 23.278 8.357 12.038 109 HA VAL 13 HA VAL 13 22.272 5.581 11.827 110 HB VAL 13 HB VAL 13 24.727 6.523 13.393 111 HG11 VAL 13 HG11 VAL 13 23.436 3.758 13.388 112 HG12 VAL 13 HG12 VAL 13 23.478 4.877 14.753 113 HG13 VAL 13 HG13 VAL 13 24.976 4.163 14.150 114 HG21 VAL 13 HG21 VAL 13 25.208 6.167 11.010 115 HG22 VAL 13 HG22 VAL 13 24.485 4.558 11.081 116 HG23 VAL 13 HG23 VAL 13 25.968 4.898 11.975 117 H VAL 14 HN VAL 14 20.578 5.279 13.148 118 HA VAL 14 HA VAL 14 20.334 6.798 15.680 119 HB VAL 14 HB VAL 14 18.085 6.273 13.667 120 HG11 VAL 14 HG11 VAL 14 17.205 5.916 15.934 121 HG12 VAL 14 HG12 VAL 14 16.559 7.417 15.266 122 HG13 VAL 14 HG13 VAL 14 17.863 7.470 16.458 123 HG21 VAL 14 HG21 VAL 14 19.193 8.908 14.707 124 HG22 VAL 14 HG22 VAL 14 17.843 8.730 13.579 125 HG23 VAL 14 HG23 VAL 14 19.468 8.237 13.096 126 H ASN 15 HN ASN 15 20.159 5.454 17.356 127 HA ASN 15 HA ASN 15 19.743 3.702 18.712 128 HB2 ASN 15 HB2 ASN 15 17.661 2.948 16.618 129 HB3 ASN 15 HB1 ASN 15 17.746 2.258 18.237 130 HD21 ASN 15 HD21 ASN 15 15.618 3.814 16.908 131 HD22 ASN 15 HD22 ASN 15 15.304 5.160 17.941 132 H GLY 16 HN GLY 16 21.687 3.445 16.396 133 HA2 GLY 16 HA2 GLY 16 23.363 1.770 16.226 134 HA3 GLY 16 HA1 GLY 16 22.196 0.544 16.682 135 H LYS 17 HN LYS 17 20.409 2.105 14.529 136 HA LYS 17 HA LYS 17 21.295 0.435 12.248 137 HB2 LYS 17 HB2 LYS 17 19.083 0.428 11.482 138 HB3 LYS 17 HB1 LYS 17 18.859 0.451 13.226 139 HG2 LYS 17 HG2 LYS 17 18.467 2.917 13.111 140 HG3 LYS 17 HG1 LYS 17 18.622 2.832 11.353 141 HD2 LYS 17 HD2 LYS 17 16.251 2.856 12.064 142 HD3 LYS 17 HD1 LYS 17 16.670 1.365 11.215 143 HE2 LYS 17 HE2 LYS 17 16.903 0.219 13.414 144 HE3 LYS 17 HE1 LYS 17 16.386 1.702 14.222 145 HZ1 LYS 17 HZ1 LYS 17 14.570 0.153 13.940 146 HZ2 LYS 17 HZ2 LYS 17 14.792 0.140 12.268 147 HZ3 LYS 17 HZ3 LYS 17 14.287 1.556 13.040 148 H VAL 18 HN VAL 18 21.009 1.460 10.049 149 HA VAL 18 HA VAL 18 21.978 4.264 10.055 150 HB VAL 18 HB VAL 18 22.324 2.159 7.886 151 HG11 VAL 18 HG11 VAL 18 23.933 3.762 6.875 152 HG12 VAL 18 HG12 VAL 18 23.528 4.939 8.128 153 HG13 VAL 18 HG13 VAL 18 22.303 4.435 6.963 154 HG21 VAL 18 HG21 VAL 18 24.361 3.153 9.911 155 HG22 VAL 18 HG22 VAL 18 24.715 2.075 8.558 156 HG23 VAL 18 HG23 VAL 18 23.646 1.538 9.857 157 H GLU 19 HN GLU 19 20.502 5.722 9.428 158 HA GLU 19 HA GLU 19 18.307 4.942 7.597 159 HB2 GLU 19 HB2 GLU 19 18.373 7.314 9.515 160 HB3 GLU 19 HB1 GLU 19 17.002 6.765 8.549 161 HG2 GLU 19 HG2 GLU 19 17.106 4.588 9.861 162 HG3 GLU 19 HG1 GLU 19 18.265 5.377 10.930 163 H TYR 20 HN TYR 20 17.987 6.083 5.739 164 HA TYR 20 HA TYR 20 19.973 8.146 4.997 165 HB2 TYR 20 HB2 TYR 20 18.438 6.191 3.226 166 HB3 TYR 20 HB1 TYR 20 19.496 7.459 2.629 167 HD1 TYR 20 HD2 TYR 20 19.511 4.310 4.686 168 HD2 TYR 20 HD1 TYR 20 21.846 7.084 2.429 169 HE1 TYR 20 HE2 TYR 20 21.452 2.806 4.827 170 HE2 TYR 20 HE1 TYR 20 23.773 5.583 2.566 171 HH TYR 20 HH TYR 20 23.534 2.368 3.643 172 H PHE 21 HN PHE 21 19.263 10.055 4.183 173 HA PHE 21 HA PHE 21 16.526 10.866 4.529 174 HB2 PHE 21 HB2 PHE 21 18.552 12.310 5.039 175 HB3 PHE 21 HB1 PHE 21 18.853 12.420 3.311 176 HD1 PHE 21 HD1 PHE 21 15.519 12.587 5.006 177 HD2 PHE 21 HD2 PHE 21 18.612 14.765 3.011 178 HE1 PHE 21 HE1 PHE 21 14.094 14.583 4.957 179 HE2 PHE 21 HE2 PHE 21 17.173 16.751 2.966 180 HZ PHE 21 HZ PHE 21 14.917 16.666 3.940 181 H LEU 22 HN LEU 22 15.095 10.269 3.038 182 HA LEU 22 HA LEU 22 15.904 9.747 0.271 183 HB2 LEU 22 HB2 LEU 22 13.293 9.168 1.706 184 HB3 LEU 22 HB1 LEU 22 13.694 8.684 0.062 185 HG LEU 22 HG LEU 22 14.782 7.601 2.672 186 HD11 LEU 22 HD11 LEU 22 13.980 5.492 1.776 187 HD12 LEU 22 HD12 LEU 22 13.488 6.266 0.275 188 HD13 LEU 22 HD13 LEU 22 12.690 6.677 1.797 189 HD21 LEU 22 HD21 LEU 22 15.981 7.088 -0.082 190 HD22 LEU 22 HD22 LEU 22 16.371 6.199 1.393 191 HD23 LEU 22 HD23 LEU 22 16.767 7.910 1.269 192 H LYS 23 HN LYS 23 15.661 11.375 -1.125 193 HA LYS 23 HA LYS 23 13.370 13.197 -0.956 194 HB2 LYS 23 HB2 LYS 23 15.864 13.766 -1.773 195 HB3 LYS 23 HB1 LYS 23 15.278 13.170 -3.318 196 HG2 LYS 23 HG2 LYS 23 14.037 15.437 -1.714 197 HG3 LYS 23 HG1 LYS 23 15.126 15.648 -3.084 198 HD2 LYS 23 HD2 LYS 23 12.414 14.269 -3.247 199 HD3 LYS 23 HD1 LYS 23 12.688 15.968 -3.610 200 HE2 LYS 23 HE2 LYS 23 14.329 15.242 -5.391 201 HE3 LYS 23 HE1 LYS 23 13.821 13.578 -5.085 202 HZ1 LYS 23 HZ1 LYS 23 12.639 14.483 -6.944 203 HZ2 LYS 23 HZ2 LYS 23 12.109 15.806 -6.038 204 HZ3 LYS 23 HZ3 LYS 23 11.543 14.252 -5.671 205 H TRP 24 HN TRP 24 11.494 12.469 -1.736 206 HA TRP 24 HA TRP 24 11.319 10.002 -3.231 207 HB2 TRP 24 HB2 TRP 24 9.101 11.864 -2.255 208 HB3 TRP 24 HB1 TRP 24 8.890 10.205 -2.825 209 HD1 TRP 24 HD1 TRP 24 10.120 12.191 0.215 210 HE1 TRP 24 HE1 TRP 24 10.477 10.578 2.183 211 HE3 TRP 24 HE3 TRP 24 9.461 7.737 -2.222 212 HZ2 TRP 24 HZ2 TRP 24 10.477 7.820 2.656 213 HZ3 TRP 24 HZ3 TRP 24 9.661 5.652 -0.932 214 HH2 TRP 24 HH2 TRP 24 10.161 5.692 1.461 215 H LYS 25 HN LYS 25 10.217 9.724 -5.232 216 HA LYS 25 HA LYS 25 10.781 11.876 -7.117 217 HB2 LYS 25 HB2 LYS 25 11.531 9.483 -7.484 218 HB3 LYS 25 HB1 LYS 25 9.839 9.041 -7.694 219 HG2 LYS 25 HG2 LYS 25 9.726 10.674 -9.608 220 HG3 LYS 25 HG1 LYS 25 11.462 10.933 -9.431 221 HD2 LYS 25 HD2 LYS 25 11.017 9.356 -11.235 222 HD3 LYS 25 HD1 LYS 25 11.855 8.538 -9.915 223 HE2 LYS 25 HE2 LYS 25 9.735 7.547 -9.161 224 HE3 LYS 25 HE1 LYS 25 8.855 8.424 -10.416 225 HZ1 LYS 25 HZ1 LYS 25 10.050 7.205 -12.084 226 HZ2 LYS 25 HZ2 LYS 25 9.292 6.133 -11.017 227 HZ3 LYS 25 HZ3 LYS 25 10.960 6.403 -10.906 228 H GLY 26 HN GLY 26 8.015 9.928 -6.000 229 HA2 GLY 26 HA2 GLY 26 6.071 11.094 -7.765 230 HA3 GLY 26 HA1 GLY 26 5.740 10.138 -6.328 231 H PHE 27 HN PHE 27 7.198 11.794 -4.506 232 HA PHE 27 HA PHE 27 5.416 14.108 -4.243 233 HB2 PHE 27 HB2 PHE 27 7.409 12.882 -2.279 234 HB3 PHE 27 HB1 PHE 27 6.409 14.292 -1.936 235 HD1 PHE 27 HD1 PHE 27 3.826 13.987 -2.206 236 HD2 PHE 27 HD2 PHE 27 6.560 10.736 -1.739 237 HE1 PHE 27 HE1 PHE 27 1.981 12.538 -1.470 238 HE2 PHE 27 HE2 PHE 27 4.709 9.293 -1.009 239 HZ PHE 27 HZ PHE 27 2.419 10.189 -0.875 240 H THR 28 HN THR 28 6.399 16.164 -3.510 241 HA THR 28 HA THR 28 8.334 17.048 -5.418 242 HB THR 28 HB THR 28 8.022 19.293 -4.280 243 HG1 THR 28 HG1 THR 28 6.321 19.325 -2.636 244 HG21 THR 28 HG21 THR 28 6.501 18.650 -6.136 245 HG22 THR 28 HG22 THR 28 5.648 19.603 -4.921 246 HG23 THR 28 HG23 THR 28 5.421 17.854 -4.984 247 H ASP 29 HN ASP 29 10.172 18.531 -4.689 248 HA ASP 29 HA ASP 29 12.010 17.222 -2.939 249 HB2 ASP 29 HB2 ASP 29 12.069 19.936 -4.308 250 HB3 ASP 29 HB1 ASP 29 13.392 19.365 -3.293 251 H ALA 30 HN ALA 30 9.518 19.492 -2.454 252 HA ALA 30 HA ALA 30 10.357 20.566 0.069 253 HB1 ALA 30 HB1 ALA 30 8.743 21.737 -1.371 254 HB2 ALA 30 HB2 ALA 30 8.042 21.395 0.214 255 HB3 ALA 30 HB3 ALA 30 7.592 20.409 -1.181 256 H ASP 31 HN ASP 31 9.011 17.521 -0.907 257 HA ASP 31 HA ASP 31 8.387 16.794 1.902 258 HB2 ASP 31 HB2 ASP 31 6.302 16.904 0.527 259 HB3 ASP 31 HB1 ASP 31 6.983 15.728 -0.595 260 H ASN 32 HN ASN 32 10.560 16.197 2.074 261 HA ASN 32 HA ASN 32 11.151 13.480 1.094 262 HB2 ASN 32 HB2 ASN 32 13.632 14.172 1.458 263 HB3 ASN 32 HB1 ASN 32 12.804 14.762 0.024 264 HD21 ASN 32 HD21 ASN 32 14.460 16.329 -0.086 265 HD22 ASN 32 HD22 ASN 32 14.418 17.750 0.890 266 H THR 33 HN THR 33 11.772 11.961 2.637 267 HA THR 33 HA THR 33 11.753 12.769 5.489 268 HB THR 33 HB THR 33 10.296 10.835 6.052 269 HG1 THR 33 HG1 THR 33 10.244 9.304 4.580 270 HG21 THR 33 HG21 THR 33 9.182 13.011 5.634 271 HG22 THR 33 HG22 THR 33 8.152 11.656 5.159 272 HG23 THR 33 HG23 THR 33 9.011 12.584 3.928 273 H TRP 34 HN TRP 34 12.785 11.320 6.919 274 HA TRP 34 HA TRP 34 14.997 9.774 5.870 275 HB2 TRP 34 HB2 TRP 34 14.038 10.290 8.717 276 HB3 TRP 34 HB1 TRP 34 15.457 9.326 8.329 277 HD1 TRP 34 HD1 TRP 34 14.257 12.973 8.429 278 HE1 TRP 34 HE1 TRP 34 16.325 14.491 8.266 279 HE3 TRP 34 HE3 TRP 34 17.795 9.435 7.374 280 HZ2 TRP 34 HZ2 TRP 34 19.088 14.236 7.757 281 HZ3 TRP 34 HZ3 TRP 34 20.126 10.146 7.055 282 HH2 TRP 34 HH2 TRP 34 20.759 12.503 7.244 283 H GLU 35 HN GLU 35 14.836 7.663 5.324 284 HA GLU 35 HA GLU 35 13.077 5.890 6.927 285 HB2 GLU 35 HB2 GLU 35 13.756 5.541 3.978 286 HB3 GLU 35 HB1 GLU 35 12.868 4.377 4.959 287 HG2 GLU 35 HG2 GLU 35 11.975 7.121 4.037 288 HG3 GLU 35 HG1 GLU 35 11.289 5.555 3.615 289 HA PRO 36 HA PRO 36 16.952 3.778 7.866 290 HB2 PRO 36 HB2 PRO 36 15.937 1.437 8.856 291 HB3 PRO 36 HB1 PRO 36 15.877 2.962 9.750 292 HG2 PRO 36 HG2 PRO 36 13.726 1.667 8.081 293 HG3 PRO 36 HG1 PRO 36 13.602 2.372 9.707 294 HD2 PRO 36 HD2 PRO 36 12.837 3.743 7.500 295 HD3 PRO 36 HD1 PRO 36 13.570 4.565 8.896 296 H GLU 37 HN GLU 37 18.197 1.912 7.169 297 HA GLU 37 HA GLU 37 17.928 1.437 4.385 298 HB2 GLU 37 HB2 GLU 37 19.946 0.066 4.556 299 HB3 GLU 37 HB1 GLU 37 20.142 1.557 5.471 300 HG2 GLU 37 HG2 GLU 37 19.848 0.404 7.562 301 HG3 GLU 37 HG1 GLU 37 19.373 -1.086 6.748 302 H GLU 38 HN GLU 38 16.926 -0.375 7.188 303 HA GLU 38 HA GLU 38 16.414 -2.914 6.072 304 HB2 GLU 38 HB2 GLU 38 14.866 -3.216 7.999 305 HB3 GLU 38 HB1 GLU 38 16.404 -2.508 8.489 306 HG2 GLU 38 HG2 GLU 38 15.283 -0.244 8.410 307 HG3 GLU 38 HG1 GLU 38 13.751 -1.080 8.160 308 H ASN 39 HN ASN 39 14.608 0.082 6.000 309 HA ASN 39 HA ASN 39 12.222 -0.992 4.771 310 HB2 ASN 39 HB2 ASN 39 13.211 1.804 5.440 311 HB3 ASN 39 HB1 ASN 39 11.763 1.567 4.468 312 HD21 ASN 39 HD21 ASN 39 10.593 2.636 6.083 313 HD22 ASN 39 HD22 ASN 39 10.138 1.832 7.545 314 H LEU 40 HN LEU 40 15.241 0.451 3.724 315 HA LEU 40 HA LEU 40 14.378 1.152 1.076 316 HB2 LEU 40 HB2 LEU 40 17.257 0.719 1.973 317 HB3 LEU 40 HB1 LEU 40 16.696 1.641 0.583 318 HG LEU 40 HG LEU 40 16.576 2.386 3.514 319 HD11 LEU 40 HD11 LEU 40 17.665 3.873 1.105 320 HD12 LEU 40 HD12 LEU 40 18.610 3.013 2.326 321 HD13 LEU 40 HD13 LEU 40 17.683 4.438 2.781 322 HD21 LEU 40 HD21 LEU 40 14.345 2.849 2.693 323 HD22 LEU 40 HD22 LEU 40 14.994 3.720 1.299 324 HD23 LEU 40 HD23 LEU 40 15.222 4.358 2.932 325 H ASP 41 HN ASP 41 14.249 -0.104 -0.673 326 HA ASP 41 HA ASP 41 15.811 -2.627 -0.805 327 HB2 ASP 41 HB2 ASP 41 13.335 -3.058 -0.520 328 HB3 ASP 41 HB1 ASP 41 13.042 -2.194 -2.029 329 H CYS 42 HN CYS 42 17.293 -0.881 -1.537 330 HA CYS 42 HA CYS 42 17.360 -0.751 -4.441 331 HB2 CYS 42 HB2 CYS 42 16.170 1.307 -3.935 332 HB3 CYS 42 HB1 CYS 42 17.332 1.733 -2.681 333 HG CYS 42 HG CYS 42 17.947 1.603 -6.031 334 HA PRO 43 HA PRO 43 21.753 -1.069 -3.069 335 HB2 PRO 43 HB2 PRO 43 22.698 -2.346 -5.282 336 HB3 PRO 43 HB1 PRO 43 21.843 -3.218 -4.002 337 HG2 PRO 43 HG2 PRO 43 20.797 -2.234 -6.650 338 HG3 PRO 43 HG1 PRO 43 20.523 -3.797 -5.854 339 HD2 PRO 43 HD2 PRO 43 18.709 -1.723 -5.772 340 HD3 PRO 43 HD1 PRO 43 18.837 -2.954 -4.495 341 H GLU 44 HN GLU 44 20.170 0.276 -5.868 342 HA GLU 44 HA GLU 44 22.351 1.360 -7.295 343 HB2 GLU 44 HB2 GLU 44 20.180 1.028 -8.362 344 HB3 GLU 44 HB1 GLU 44 19.399 2.126 -7.235 345 HG2 GLU 44 HG2 GLU 44 19.668 3.181 -9.418 346 HG3 GLU 44 HG1 GLU 44 20.629 4.027 -8.205 347 H LEU 45 HN LEU 45 20.047 3.009 -5.100 348 HA LEU 45 HA LEU 45 21.230 5.584 -5.456 349 HB2 LEU 45 HB2 LEU 45 19.163 4.607 -3.455 350 HB3 LEU 45 HB1 LEU 45 19.603 6.301 -3.684 351 HG LEU 45 HG LEU 45 18.244 4.492 -5.717 352 HD11 LEU 45 HD11 LEU 45 16.743 5.199 -3.963 353 HD12 LEU 45 HD12 LEU 45 16.342 6.041 -5.458 354 HD13 LEU 45 HD13 LEU 45 17.214 6.886 -4.175 355 HD21 LEU 45 HD21 LEU 45 18.089 6.473 -7.179 356 HD22 LEU 45 HD22 LEU 45 19.760 5.992 -6.907 357 HD23 LEU 45 HD23 LEU 45 19.098 7.392 -6.056 358 H ILE 46 HN ILE 46 21.346 3.160 -2.884 359 HA ILE 46 HA ILE 46 22.683 4.726 -0.925 360 HB ILE 46 HB ILE 46 22.529 1.701 -1.279 361 HG12 ILE 46 HG12 ILE 46 20.970 3.613 0.527 362 HG13 ILE 46 HG11 ILE 46 20.335 2.794 -0.897 363 HG21 ILE 46 HG21 ILE 46 23.531 3.228 1.151 364 HG22 ILE 46 HG22 ILE 46 24.512 2.226 0.079 365 HG23 ILE 46 HG23 ILE 46 23.258 1.485 1.075 366 HD11 ILE 46 HD11 ILE 46 21.209 1.486 1.681 367 HD12 ILE 46 HD12 ILE 46 20.611 0.637 0.254 368 HD13 ILE 46 HD13 ILE 46 19.553 1.741 1.129 369 H GLU 47 HN GLU 47 23.892 2.303 -3.247 370 HA GLU 47 HA GLU 47 26.645 2.557 -2.630 371 HB2 GLU 47 HB2 GLU 47 25.743 0.574 -3.726 372 HB3 GLU 47 HB1 GLU 47 25.235 1.524 -5.116 373 HG2 GLU 47 HG2 GLU 47 27.535 1.904 -5.771 374 HG3 GLU 47 HG1 GLU 47 28.124 1.144 -4.294 375 H ALA 48 HN ALA 48 24.579 4.111 -5.071 376 HA ALA 48 HA ALA 48 26.620 5.474 -6.494 377 HB1 ALA 48 HB1 ALA 48 24.364 5.140 -7.441 378 HB2 ALA 48 HB2 ALA 48 24.811 6.848 -7.452 379 HB3 ALA 48 HB3 ALA 48 23.686 6.232 -6.234 380 H PHE 49 HN PHE 49 24.654 6.345 -3.681 381 HA PHE 49 HA PHE 49 25.420 9.043 -3.336 382 HB2 PHE 49 HB2 PHE 49 23.525 8.184 -2.110 383 HB3 PHE 49 HB1 PHE 49 24.479 6.898 -1.385 384 HD1 PHE 49 HD2 PHE 49 24.149 10.637 -1.450 385 HD2 PHE 49 HD1 PHE 49 25.394 7.199 0.773 386 HE1 PHE 49 HE2 PHE 49 24.563 12.049 0.518 387 HE2 PHE 49 HE1 PHE 49 25.809 8.622 2.733 388 HZ PHE 49 HZ PHE 49 25.399 11.045 2.606 389 H LEU 50 HN LEU 50 26.817 6.027 -2.080 390 HA LEU 50 HA LEU 50 28.901 7.206 -0.526 391 HB2 LEU 50 HB2 LEU 50 28.638 4.387 -1.638 392 HB3 LEU 50 HB1 LEU 50 29.795 4.879 -0.403 393 HG LEU 50 HG LEU 50 26.761 4.956 -0.077 394 HD11 LEU 50 HD11 LEU 50 28.744 2.973 1.072 395 HD12 LEU 50 HD12 LEU 50 27.565 2.656 -0.205 396 HD13 LEU 50 HD13 LEU 50 27.012 3.046 1.421 397 HD21 LEU 50 HD21 LEU 50 27.854 6.668 1.296 398 HD22 LEU 50 HD22 LEU 50 28.936 5.455 1.987 399 HD23 LEU 50 HD23 LEU 50 27.201 5.378 2.307 400 H ASN 51 HN ASN 51 28.728 6.003 -3.844 401 HA ASN 51 HA ASN 51 31.547 6.385 -4.410 402 HB2 ASN 51 HB2 ASN 51 29.203 5.574 -6.177 403 HB3 ASN 51 HB1 ASN 51 30.858 5.715 -6.774 404 HD21 ASN 51 HD21 ASN 51 29.131 3.346 -6.633 405 HD22 ASN 51 HD22 ASN 51 29.996 2.182 -5.699 406 H SER 52 HN SER 52 28.757 8.393 -4.487 407 HA SER 52 HA SER 52 29.784 10.326 -6.406 408 HB2 SER 52 HB2 SER 52 27.311 10.008 -6.002 409 HB3 SER 52 HB1 SER 52 27.523 10.679 -4.386 410 HG SER 52 HG SER 52 28.629 12.421 -5.969 411 H GLN 53 HN GLN 53 29.973 9.711 -2.986 412 HA GLN 53 HA GLN 53 31.167 12.181 -2.157 413 HB2 GLN 53 HB2 GLN 53 31.178 9.373 -0.968 414 HB3 GLN 53 HB1 GLN 53 31.948 10.748 -0.176 415 HG2 GLN 53 HG2 GLN 53 29.843 11.877 0.091 416 HG3 GLN 53 HG1 GLN 53 29.008 10.701 -0.919 417 HE21 GLN 53 HE21 GLN 53 28.314 8.793 -0.011 418 HE22 GLN 53 HE22 GLN 53 28.426 8.438 1.675 419 H LYS 54 HN LYS 54 32.323 9.230 -3.667 420 HA LYS 54 HA LYS 54 35.139 9.950 -3.423 421 HB2 LYS 54 HB2 LYS 54 33.768 7.606 -4.803 422 HB3 LYS 54 HB1 LYS 54 35.511 7.852 -4.783 423 HG2 LYS 54 HG2 LYS 54 33.724 7.344 -2.379 424 HG3 LYS 54 HG1 LYS 54 34.888 6.216 -3.088 425 HD2 LYS 54 HD2 LYS 54 35.539 8.857 -1.699 426 HD3 LYS 54 HD1 LYS 54 35.806 7.244 -1.041 427 HE2 LYS 54 HE2 LYS 54 37.521 6.786 -2.700 428 HE3 LYS 54 HE1 LYS 54 37.167 8.286 -3.558 429 HZ1 LYS 54 HZ1 LYS 54 37.907 9.520 -1.626 430 HZ2 LYS 54 HZ2 LYS 54 39.126 8.496 -2.193 431 HZ3 LYS 54 HZ3 LYS 54 38.253 8.083 -0.807 432 H1 ALA 1 HT1 ALA 1 15.177 10.848 -11.669 433 H2 ALA 1 HT2 ALA 1 13.846 10.995 -10.640 434 H3 ALA 1 HT3 ALA 1 14.821 12.335 -10.948 435 HA ALA 1 HA ALA 1 12.743 12.465 -12.150 436 HB1 ALA 1 HB1 ALA 1 13.703 12.962 -14.370 437 HB2 ALA 1 HB2 ALA 1 15.165 12.063 -13.945 438 HB3 ALA 1 HB3 ALA 1 14.754 13.543 -13.076 439 H ARG 2 HN ARG 2 14.754 9.940 -13.733 440 HA ARG 2 HA ARG 2 12.313 8.476 -14.558 441 HB2 ARG 2 HB2 ARG 2 13.857 7.341 -16.193 442 HB3 ARG 2 HB1 ARG 2 13.713 9.078 -16.435 443 HG2 ARG 2 HG2 ARG 2 15.887 9.497 -15.550 444 HG3 ARG 2 HG1 ARG 2 16.018 7.867 -14.882 445 HD2 ARG 2 HD2 ARG 2 15.893 8.511 -17.852 446 HD3 ARG 2 HD1 ARG 2 17.380 8.205 -16.948 447 HE ARG 2 HE ARG 2 16.214 5.974 -16.380 448 HH11 ARG 2 HH11 ARG 2 15.972 7.579 -19.496 449 HH12 ARG 2 HH12 ARG 2 15.717 6.098 -20.357 450 HH21 ARG 2 HH21 ARG 2 15.867 4.062 -17.530 451 HH22 ARG 2 HH22 ARG 2 15.661 4.112 -19.251 452 H THR 3 HN THR 3 14.141 8.386 -11.947 453 HA THR 3 HA THR 3 15.067 5.617 -11.939 454 HB THR 3 HB THR 3 15.845 6.350 -9.554 455 HG1 THR 3 HG1 THR 3 15.901 8.621 -9.245 456 HG21 THR 3 HG21 THR 3 17.796 7.583 -10.439 457 HG22 THR 3 HG22 THR 3 16.963 7.832 -11.975 458 HG23 THR 3 HG23 THR 3 17.409 6.202 -11.466 459 H LYS 4 HN LYS 4 13.719 3.986 -11.351 460 HA LYS 4 HA LYS 4 11.542 4.463 -9.384 461 HB2 LYS 4 HB2 LYS 4 11.868 2.089 -11.285 462 HB3 LYS 4 HB1 LYS 4 10.545 2.333 -10.159 463 HG2 LYS 4 HG2 LYS 4 9.611 2.934 -12.205 464 HG3 LYS 4 HG1 LYS 4 10.045 4.491 -11.490 465 HD2 LYS 4 HD2 LYS 4 12.088 4.567 -12.875 466 HD3 LYS 4 HD1 LYS 4 11.702 2.980 -13.550 467 HE2 LYS 4 HE2 LYS 4 9.646 3.914 -14.556 468 HE3 LYS 4 HE1 LYS 4 10.039 5.502 -13.885 469 HZ1 LYS 4 HZ1 LYS 4 10.706 5.367 -16.174 470 HZ2 LYS 4 HZ2 LYS 4 11.645 3.991 -15.874 471 HZ3 LYS 4 HZ3 LYS 4 12.080 5.476 -15.198 472 H GLN 5 HN GLN 5 12.405 4.084 -7.360 473 HA GLN 5 HA GLN 5 13.650 1.442 -6.888 474 HB2 GLN 5 HB2 GLN 5 14.448 4.067 -5.561 475 HB3 GLN 5 HB1 GLN 5 14.980 2.480 -5.019 476 HG2 GLN 5 HG2 GLN 5 16.785 3.291 -6.277 477 HG3 GLN 5 HG1 GLN 5 15.968 2.179 -7.370 478 HE21 GLN 5 HE21 GLN 5 14.924 5.470 -6.600 479 HE22 GLN 5 HE22 GLN 5 15.208 6.120 -8.157 480 H THR 6 HN THR 6 12.629 0.260 -5.489 481 HA THR 6 HA THR 6 10.268 1.055 -4.096 482 HB THR 6 HB THR 6 11.932 -1.497 -3.886 483 HG1 THR 6 HG1 THR 6 9.671 -0.871 -5.517 484 HG21 THR 6 HG21 THR 6 9.023 -1.015 -3.131 485 HG22 THR 6 HG22 THR 6 10.343 -1.297 -1.993 486 HG23 THR 6 HG23 THR 6 9.847 -2.576 -3.104 487 H ALA 7 HN ALA 7 10.310 2.204 -2.215 488 HA ALA 7 HA ALA 7 12.230 1.462 -0.099 489 HB1 ALA 7 HB1 ALA 7 11.578 4.323 -0.893 490 HB2 ALA 7 HB2 ALA 7 13.112 3.491 -1.153 491 HB3 ALA 7 HB3 ALA 7 12.564 3.828 0.490 492 H ARG 8 HN ARG 8 10.986 0.653 1.388 493 HA ARG 8 HA ARG 8 8.259 1.174 1.888 494 HB2 ARG 8 HB2 ARG 8 9.284 -0.950 2.463 495 HB3 ARG 8 HB1 ARG 8 10.448 -0.158 3.515 496 HG2 ARG 8 HG2 ARG 8 8.553 0.488 5.032 497 HG3 ARG 8 HG1 ARG 8 7.469 -0.465 4.007 498 HD2 ARG 8 HD2 ARG 8 8.729 -2.498 4.511 499 HD3 ARG 8 HD1 ARG 8 9.928 -1.567 5.419 500 HE ARG 8 HE ARG 8 7.099 -1.651 6.282 501 HH11 ARG 8 HH11 ARG 8 10.508 -2.114 7.035 502 HH12 ARG 8 HH12 ARG 8 10.203 -2.641 8.656 503 HH21 ARG 8 HH21 ARG 8 6.723 -2.341 8.411 504 HH22 ARG 8 HH22 ARG 8 8.052 -2.784 9.432 505 H M3L 9 HN M3L 9 7.248 2.494 3.388 506 HA M3L 9 HA M3L 9 8.912 4.314 4.993 507 HB2 M3L 9 HB2 M3L 9 5.977 4.368 4.223 508 HB3 M3L 9 HB1 M3L 9 6.638 5.411 5.487 509 HG2 M3L 9 HG2 M3L 9 8.313 6.243 3.751 510 HG3 M3L 9 HG1 M3L 9 7.339 5.400 2.535 511 HD2 M3L 9 HD2 M3L 9 5.423 6.792 2.991 512 HD3 M3L 9 HD1 M3L 9 6.176 7.463 4.442 513 HE2 M3L 9 HE2 M3L 9 7.958 8.461 2.949 514 HE3 M3L 9 HE1 M3L 9 7.006 7.941 1.557 515 HM11 M3L 9 HH33 M3L 9 6.262 11.578 1.898 516 HM12 M3L 9 HH31 M3L 9 6.889 10.339 0.807 517 HM13 M3L 9 HH32 M3L 9 7.826 10.822 2.222 518 HM21 M3L 9 HH11 M3L 9 7.043 10.186 4.531 519 HM22 M3L 9 HH12 M3L 9 5.546 9.274 4.741 520 HM23 M3L 9 HH13 M3L 9 5.490 10.951 4.198 521 HM31 M3L 9 HH21 M3L 9 4.205 8.574 2.737 522 HM32 M3L 9 HH22 M3L 9 4.757 8.980 1.110 523 HM33 M3L 9 HH23 M3L 9 4.141 10.247 2.174 524 H SER 10 HN SER 10 8.823 4.362 7.174 525 HA SER 10 HA SER 10 7.933 2.008 8.571 526 HB2 SER 10 HB2 SER 10 10.033 3.210 9.196 527 HB3 SER 10 HB1 SER 10 9.074 4.601 9.697 528 HG SER 10 HG SER 10 8.484 2.088 10.816 529 H THR 11 HN THR 11 5.706 2.079 8.088 530 HA THR 11 HA THR 11 4.012 4.281 8.915 531 HB THR 11 HB THR 11 2.155 2.805 8.091 532 HG1 THR 11 HG1 THR 11 2.590 0.765 7.362 533 HG21 THR 11 HG21 THR 11 3.311 4.243 6.447 534 HG22 THR 11 HG22 THR 11 2.825 2.715 5.710 535 HG23 THR 11 HG23 THR 11 4.510 2.974 6.168 536 H GLY 12 HN GLY 12 5.204 1.344 10.312 537 HA2 GLY 12 HA2 GLY 12 3.416 1.658 12.667 538 HA3 GLY 12 HA1 GLY 12 3.763 0.078 11.969 539 H GLY 13 HN GLY 13 5.404 2.962 13.296 540 HA2 GLY 13 HA2 GLY 13 7.756 1.535 14.199 541 HA3 GLY 13 HA1 GLY 13 7.285 3.177 14.620 542 H LYS 14 HN LYS 14 6.748 -0.228 15.366 543 HA LYS 14 HA LYS 14 5.931 0.318 18.107 544 HB2 LYS 14 HB2 LYS 14 3.744 -0.913 17.830 545 HB3 LYS 14 HB1 LYS 14 3.800 0.630 16.983 546 HG2 LYS 14 HG2 LYS 14 4.320 -0.609 14.860 547 HG3 LYS 14 HG1 LYS 14 4.094 -2.127 15.731 548 HD2 LYS 14 HD2 LYS 14 1.954 0.025 15.423 549 HD3 LYS 14 HD1 LYS 14 2.097 -1.391 14.381 550 HE2 LYS 14 HE2 LYS 14 1.723 -2.860 16.338 551 HE3 LYS 14 HE1 LYS 14 1.572 -1.439 17.375 552 HZ1 LYS 14 HZ1 LYS 14 -0.374 -0.770 16.160 553 HZ2 LYS 14 HZ2 LYS 14 -0.573 -2.365 16.689 554 HZ3 LYS 14 HZ3 LYS 14 -0.198 -2.048 15.072 555 H ALA 15 HN ALA 15 5.422 -1.768 19.260 556 HA ALA 15 HA ALA 15 6.839 -4.133 18.177 557 HB1 ALA 15 HB1 ALA 15 6.952 -3.106 21.044 558 HB2 ALA 15 HB2 ALA 15 8.266 -3.021 19.870 559 HB3 ALA 15 HB3 ALA 15 7.703 -4.591 20.450 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 9.317 -2.978 -0.923 2 H2 GLY 1 HT2 GLY 1 8.079 -3.377 0.155 3 H3 GLY 1 HT3 GLY 1 9.541 -2.758 0.735 4 HA2 GLY 1 HA1 GLY 1 7.849 -1.066 0.788 5 HA3 GLY 1 HA2 GLY 1 9.138 -0.661 -0.330 6 H GLU 2 HN GLU 2 7.258 0.778 -0.955 7 HA GLU 2 HA GLU 2 6.137 -0.230 -3.434 8 HB2 GLU 2 HB2 GLU 2 3.818 0.440 -2.972 9 HB3 GLU 2 HB1 GLU 2 4.325 -0.795 -1.830 10 HG2 GLU 2 HG2 GLU 2 4.315 2.164 -1.159 11 HG3 GLU 2 HG1 GLU 2 2.904 1.131 -0.911 12 H PHE 3 HN PHE 3 6.838 2.389 -1.194 13 HA PHE 3 HA PHE 3 5.990 4.564 -2.859 14 HB2 PHE 3 HB2 PHE 3 7.928 4.568 -0.495 15 HB3 PHE 3 HB1 PHE 3 7.216 6.002 -1.223 16 HD1 PHE 3 HD1 PHE 3 4.500 5.833 -1.381 17 HD2 PHE 3 HD2 PHE 3 6.964 3.872 1.502 18 HE1 PHE 3 HE1 PHE 3 2.602 5.725 0.175 19 HE2 PHE 3 HE2 PHE 3 5.060 3.759 3.049 20 HZ PHE 3 HZ PHE 3 2.879 4.684 2.389 21 H VAL 4 HN VAL 4 7.369 6.125 -3.909 22 HA VAL 4 HA VAL 4 9.791 4.877 -5.091 23 HB VAL 4 HB VAL 4 8.066 4.952 -6.758 24 HG11 VAL 4 HG11 VAL 4 7.686 7.901 -6.177 25 HG12 VAL 4 HG12 VAL 4 6.557 6.609 -5.778 26 HG13 VAL 4 HG13 VAL 4 6.888 7.001 -7.468 27 HG21 VAL 4 HG21 VAL 4 10.332 5.497 -7.558 28 HG22 VAL 4 HG22 VAL 4 10.032 7.216 -7.295 29 HG23 VAL 4 HG23 VAL 4 9.115 6.341 -8.522 30 H VAL 5 HN VAL 5 11.619 5.875 -4.815 31 HA VAL 5 HA VAL 5 11.747 8.699 -3.978 32 HB VAL 5 HB VAL 5 12.448 7.412 -2.100 33 HG11 VAL 5 HG11 VAL 5 14.287 5.786 -3.891 34 HG12 VAL 5 HG12 VAL 5 12.771 5.232 -3.178 35 HG13 VAL 5 HG13 VAL 5 14.141 5.621 -2.134 36 HG21 VAL 5 HG21 VAL 5 13.919 9.341 -2.536 37 HG22 VAL 5 HG22 VAL 5 14.987 8.332 -3.513 38 HG23 VAL 5 HG23 VAL 5 14.831 8.030 -1.782 39 H GLU 6 HN GLU 6 13.121 10.059 -5.002 40 HA GLU 6 HA GLU 6 14.181 9.393 -7.578 41 HB2 GLU 6 HB2 GLU 6 13.307 11.638 -7.182 42 HB3 GLU 6 HB1 GLU 6 14.440 11.902 -5.871 43 HG2 GLU 6 HG2 GLU 6 15.249 13.138 -7.721 44 HG3 GLU 6 HG1 GLU 6 16.319 11.753 -7.547 45 H LYS 7 HN LYS 7 15.713 10.450 -4.484 46 HA LYS 7 HA LYS 7 18.021 8.800 -4.840 47 HB2 LYS 7 HB2 LYS 7 19.710 10.582 -5.146 48 HB3 LYS 7 HB1 LYS 7 18.591 10.494 -6.506 49 HG2 LYS 7 HG2 LYS 7 17.325 12.428 -5.537 50 HG3 LYS 7 HG1 LYS 7 18.560 12.561 -4.275 51 HD2 LYS 7 HD2 LYS 7 19.067 12.806 -7.269 52 HD3 LYS 7 HD1 LYS 7 18.894 14.165 -6.158 53 HE2 LYS 7 HE2 LYS 7 20.920 13.479 -4.959 54 HE3 LYS 7 HE1 LYS 7 21.066 12.043 -5.980 55 HZ1 LYS 7 HZ1 LYS 7 21.361 13.493 -7.896 56 HZ2 LYS 7 HZ2 LYS 7 22.537 13.783 -6.719 57 HZ3 LYS 7 HZ3 LYS 7 21.247 14.860 -6.904 58 H VAL 8 HN VAL 8 19.610 9.010 -3.176 59 HA VAL 8 HA VAL 8 18.671 9.990 -0.608 60 HB VAL 8 HB VAL 8 21.327 8.689 -1.377 61 HG11 VAL 8 HG11 VAL 8 20.189 9.210 1.400 62 HG12 VAL 8 HG12 VAL 8 21.558 10.048 0.663 63 HG13 VAL 8 HG13 VAL 8 21.677 8.331 1.042 64 HG21 VAL 8 HG21 VAL 8 19.417 7.150 -1.725 65 HG22 VAL 8 HG22 VAL 8 18.901 7.402 -0.054 66 HG23 VAL 8 HG23 VAL 8 20.443 6.611 -0.393 67 H LEU 9 HN LEU 9 19.596 11.699 0.520 68 HA LEU 9 HA LEU 9 21.272 13.590 -1.040 69 HB2 LEU 9 HB2 LEU 9 19.310 14.174 1.210 70 HB3 LEU 9 HB1 LEU 9 20.278 15.378 0.368 71 HG LEU 9 HG LEU 9 18.004 13.719 -0.806 72 HD11 LEU 9 HD11 LEU 9 16.852 15.868 -1.088 73 HD12 LEU 9 HD12 LEU 9 18.188 16.708 -0.295 74 HD13 LEU 9 HD13 LEU 9 17.216 15.541 0.605 75 HD21 LEU 9 HD21 LEU 9 19.725 13.974 -2.512 76 HD22 LEU 9 HD22 LEU 9 19.786 15.719 -2.243 77 HD23 LEU 9 HD23 LEU 9 18.328 14.975 -2.904 78 H ASP 10 HN ASP 10 20.776 12.102 2.155 79 HA ASP 10 HA ASP 10 23.498 12.670 2.977 80 HB2 ASP 10 HB2 ASP 10 22.201 14.777 3.512 81 HB3 ASP 10 HB1 ASP 10 21.182 13.830 4.593 82 H ARG 11 HN ARG 11 23.915 11.739 5.207 83 HA ARG 11 HA ARG 11 22.390 9.215 5.631 84 HB2 ARG 11 HB2 ARG 11 24.559 8.984 4.363 85 HB3 ARG 11 HB1 ARG 11 25.416 9.639 5.747 86 HG2 ARG 11 HG2 ARG 11 24.802 7.661 7.078 87 HG3 ARG 11 HG1 ARG 11 23.848 7.027 5.726 88 HD2 ARG 11 HD2 ARG 11 25.887 6.921 4.337 89 HD3 ARG 11 HD1 ARG 11 26.839 7.559 5.683 90 HE ARG 11 HE ARG 11 25.475 5.183 6.423 91 HH11 ARG 11 HH11 ARG 11 28.294 6.313 4.680 92 HH12 ARG 11 HH12 ARG 11 29.125 4.799 4.787 93 HH21 ARG 11 HH21 ARG 11 26.588 3.203 6.591 94 HH22 ARG 11 HH22 ARG 11 28.168 3.054 5.902 95 H ARG 12 HN ARG 12 22.531 8.352 7.811 96 HA ARG 12 HA ARG 12 23.914 9.754 9.927 97 HB2 ARG 12 HB2 ARG 12 22.013 10.389 11.278 98 HB3 ARG 12 HB1 ARG 12 21.735 11.060 9.672 99 HG2 ARG 12 HG2 ARG 12 20.228 9.114 9.176 100 HG3 ARG 12 HG1 ARG 12 20.437 8.573 10.845 101 HD2 ARG 12 HD2 ARG 12 19.175 11.185 9.929 102 HD3 ARG 12 HD1 ARG 12 18.333 9.778 10.586 103 HE ARG 12 HE ARG 12 20.322 11.206 12.219 104 HH11 ARG 12 HH11 ARG 12 17.015 10.109 11.801 105 HH12 ARG 12 HH12 ARG 12 16.487 10.755 13.322 106 HH21 ARG 12 HH21 ARG 12 19.631 12.021 14.214 107 HH22 ARG 12 HH22 ARG 12 17.970 11.847 14.678 108 H VAL 13 HN VAL 13 23.566 8.586 12.052 109 HA VAL 13 HA VAL 13 22.864 5.725 11.700 110 HB VAL 13 HB VAL 13 25.091 6.855 13.466 111 HG11 VAL 13 HG11 VAL 13 24.031 4.918 14.545 112 HG12 VAL 13 HG12 VAL 13 25.632 4.465 13.959 113 HG13 VAL 13 HG13 VAL 13 24.190 3.963 13.068 114 HG21 VAL 13 HG21 VAL 13 26.647 5.645 11.954 115 HG22 VAL 13 HG22 VAL 13 25.729 6.877 11.082 116 HG23 VAL 13 HG23 VAL 13 25.288 5.172 10.929 117 H VAL 14 HN VAL 14 21.204 5.147 12.935 118 HA VAL 14 HA VAL 14 20.515 6.642 15.407 119 HB VAL 14 HB VAL 14 18.566 5.544 13.303 120 HG11 VAL 14 HG11 VAL 14 17.608 5.318 15.560 121 HG12 VAL 14 HG12 VAL 14 16.761 6.574 14.655 122 HG13 VAL 14 HG13 VAL 14 17.939 7.021 15.891 123 HG21 VAL 14 HG21 VAL 14 19.664 7.599 12.537 124 HG22 VAL 14 HG22 VAL 14 19.208 8.422 14.029 125 HG23 VAL 14 HG23 VAL 14 17.960 7.910 12.890 126 H ASN 15 HN ASN 15 20.856 5.251 17.052 127 HA ASN 15 HA ASN 15 20.642 3.504 18.486 128 HB2 ASN 15 HB2 ASN 15 18.554 2.414 16.548 129 HB3 ASN 15 HB1 ASN 15 18.750 1.937 18.230 130 HD21 ASN 15 HD21 ASN 15 16.475 3.161 16.744 131 HD22 ASN 15 HD22 ASN 15 16.045 4.565 17.651 132 H GLY 16 HN GLY 16 22.326 3.348 15.896 133 HA2 GLY 16 HA2 GLY 16 24.119 1.762 15.614 134 HA3 GLY 16 HA1 GLY 16 23.008 0.454 15.991 135 H LYS 17 HN LYS 17 20.913 1.830 14.214 136 HA LYS 17 HA LYS 17 21.678 0.510 11.720 137 HB2 LYS 17 HB2 LYS 17 19.431 0.651 11.050 138 HB3 LYS 17 HB1 LYS 17 19.264 0.525 12.796 139 HG2 LYS 17 HG2 LYS 17 18.984 3.033 12.863 140 HG3 LYS 17 HG1 LYS 17 19.009 3.039 11.102 141 HD2 LYS 17 HD2 LYS 17 16.702 3.115 11.901 142 HD3 LYS 17 HD1 LYS 17 17.002 1.588 11.071 143 HE2 LYS 17 HE2 LYS 17 17.242 0.456 13.262 144 HE3 LYS 17 HE1 LYS 17 16.926 1.986 14.088 145 HZ1 LYS 17 HZ1 LYS 17 14.956 0.600 13.948 146 HZ2 LYS 17 HZ2 LYS 17 15.039 0.586 12.263 147 HZ3 LYS 17 HZ3 LYS 17 14.734 2.035 13.081 148 H VAL 18 HN VAL 18 21.001 1.837 9.639 149 HA VAL 18 HA VAL 18 22.182 4.556 9.800 150 HB VAL 18 HB VAL 18 22.525 2.490 7.569 151 HG11 VAL 18 HG11 VAL 18 23.527 5.358 7.693 152 HG12 VAL 18 HG12 VAL 18 22.295 4.724 6.596 153 HG13 VAL 18 HG13 VAL 18 23.966 4.176 6.457 154 HG21 VAL 18 HG21 VAL 18 24.941 2.575 8.131 155 HG22 VAL 18 HG22 VAL 18 23.981 2.025 9.507 156 HG23 VAL 18 HG23 VAL 18 24.595 3.680 9.465 157 H GLU 19 HN GLU 19 20.712 6.095 9.229 158 HA GLU 19 HA GLU 19 18.546 5.367 7.352 159 HB2 GLU 19 HB2 GLU 19 18.673 7.842 9.118 160 HB3 GLU 19 HB1 GLU 19 17.317 7.311 8.126 161 HG2 GLU 19 HG2 GLU 19 17.261 5.218 9.586 162 HG3 GLU 19 HG1 GLU 19 18.383 6.047 10.666 163 H TYR 20 HN TYR 20 18.333 6.323 5.468 164 HA TYR 20 HA TYR 20 20.284 8.351 4.580 165 HB2 TYR 20 HB2 TYR 20 18.754 6.213 3.023 166 HB3 TYR 20 HB1 TYR 20 19.743 7.455 2.274 167 HD1 TYR 20 HD2 TYR 20 22.229 7.448 2.587 168 HD2 TYR 20 HD1 TYR 20 19.816 4.238 4.055 169 HE1 TYR 20 HE2 TYR 20 24.225 6.045 2.804 170 HE2 TYR 20 HE1 TYR 20 21.827 2.841 4.272 171 HH TYR 20 HH TYR 20 24.113 2.738 3.258 172 H PHE 21 HN PHE 21 19.478 10.231 3.718 173 HA PHE 21 HA PHE 21 16.745 10.949 4.255 174 HB2 PHE 21 HB2 PHE 21 18.745 12.440 4.726 175 HB3 PHE 21 HB1 PHE 21 18.981 12.612 2.991 176 HD1 PHE 21 HD2 PHE 21 15.639 12.604 4.642 177 HD2 PHE 21 HD1 PHE 21 18.741 15.006 2.938 178 HE1 PHE 21 HE2 PHE 21 14.149 14.552 4.666 179 HE2 PHE 21 HE1 PHE 21 17.241 16.954 2.977 180 HZ PHE 21 HZ PHE 21 14.946 16.730 3.834 181 H LEU 22 HN LEU 22 15.301 10.248 2.836 182 HA LEU 22 HA LEU 22 15.936 9.911 0.010 183 HB2 LEU 22 HB2 LEU 22 13.445 9.181 1.596 184 HB3 LEU 22 HB1 LEU 22 13.725 8.793 -0.097 185 HG LEU 22 HG LEU 22 15.069 7.619 2.354 186 HD11 LEU 22 HD11 LEU 22 14.291 5.513 1.394 187 HD12 LEU 22 HD12 LEU 22 13.599 6.359 0.014 188 HD13 LEU 22 HD13 LEU 22 12.960 6.631 1.638 189 HD21 LEU 22 HD21 LEU 22 16.595 6.349 0.874 190 HD22 LEU 22 HD22 LEU 22 16.913 8.079 0.832 191 HD23 LEU 22 HD23 LEU 22 16.056 7.311 -0.508 192 H LYS 23 HN LYS 23 15.738 11.749 -1.142 193 HA LYS 23 HA LYS 23 13.398 13.466 -0.897 194 HB2 LYS 23 HB2 LYS 23 15.844 14.138 -1.714 195 HB3 LYS 23 HB1 LYS 23 15.296 13.550 -3.276 196 HG2 LYS 23 HG2 LYS 23 13.936 15.748 -1.658 197 HG3 LYS 23 HG1 LYS 23 15.071 16.035 -2.979 198 HD2 LYS 23 HD2 LYS 23 12.378 14.625 -3.233 199 HD3 LYS 23 HD1 LYS 23 12.686 16.314 -3.654 200 HE2 LYS 23 HE2 LYS 23 14.334 15.536 -5.379 201 HE3 LYS 23 HE1 LYS 23 13.933 13.863 -4.967 202 HZ1 LYS 23 HZ1 LYS 23 11.626 14.342 -5.609 203 HZ2 LYS 23 HZ2 LYS 23 12.718 14.550 -6.881 204 HZ3 LYS 23 HZ3 LYS 23 12.092 15.901 -6.085 205 H TRP 24 HN TRP 24 11.551 12.559 -1.507 206 HA TRP 24 HA TRP 24 11.416 10.203 -3.116 207 HB2 TRP 24 HB2 TRP 24 9.175 11.930 -1.985 208 HB3 TRP 24 HB1 TRP 24 8.981 10.316 -2.661 209 HD1 TRP 24 HD1 TRP 24 10.158 12.123 0.462 210 HE1 TRP 24 HE1 TRP 24 10.541 10.417 2.343 211 HE3 TRP 24 HE3 TRP 24 9.685 7.810 -2.221 212 HZ2 TRP 24 HZ2 TRP 24 10.630 7.649 2.656 213 HZ3 TRP 24 HZ3 TRP 24 9.943 5.660 -1.061 214 HH2 TRP 24 HH2 TRP 24 10.411 5.585 1.341 215 H LYS 25 HN LYS 25 10.185 9.896 -5.020 216 HA LYS 25 HA LYS 25 9.946 12.240 -6.819 217 HB2 LYS 25 HB2 LYS 25 11.663 10.379 -7.358 218 HB3 LYS 25 HB1 LYS 25 10.290 9.308 -7.628 219 HG2 LYS 25 HG2 LYS 25 9.496 10.831 -9.433 220 HG3 LYS 25 HG1 LYS 25 10.901 11.860 -9.154 221 HD2 LYS 25 HD2 LYS 25 11.402 10.476 -11.060 222 HD3 LYS 25 HD1 LYS 25 12.381 9.892 -9.711 223 HE2 LYS 25 HE2 LYS 25 11.469 8.001 -10.918 224 HE3 LYS 25 HE1 LYS 25 10.691 8.079 -9.337 225 HZ1 LYS 25 HZ1 LYS 25 8.815 9.233 -10.449 226 HZ2 LYS 25 HZ2 LYS 25 9.050 7.645 -10.969 227 HZ3 LYS 25 HZ3 LYS 25 9.555 8.931 -11.938 228 H GLY 26 HN GLY 26 8.022 12.232 -8.227 229 HA2 GLY 26 HA2 GLY 26 5.797 11.791 -8.761 230 HA3 GLY 26 HA1 GLY 26 5.796 10.419 -7.659 231 H PHE 27 HN PHE 27 6.399 11.405 -5.282 232 HA PHE 27 HA PHE 27 4.405 13.171 -4.312 233 HB2 PHE 27 HB2 PHE 27 7.122 12.491 -3.075 234 HB3 PHE 27 HB1 PHE 27 5.723 13.132 -2.221 235 HD1 PHE 27 HD2 PHE 27 3.652 11.673 -1.987 236 HD2 PHE 27 HD1 PHE 27 7.376 10.125 -3.395 237 HE1 PHE 27 HE2 PHE 27 2.898 9.387 -1.488 238 HE2 PHE 27 HE1 PHE 27 6.615 7.837 -2.895 239 HZ PHE 27 HZ PHE 27 4.373 7.474 -1.943 240 H THR 28 HN THR 28 4.940 15.338 -3.281 241 HA THR 28 HA THR 28 6.265 17.117 -5.051 242 HB THR 28 HB THR 28 5.934 18.827 -3.168 243 HG1 THR 28 HG1 THR 28 5.169 16.477 -1.860 244 HG21 THR 28 HG21 THR 28 3.472 18.888 -3.375 245 HG22 THR 28 HG22 THR 28 3.467 17.231 -3.984 246 HG23 THR 28 HG23 THR 28 4.216 18.519 -4.932 247 H ASP 29 HN ASP 29 8.121 18.500 -4.573 248 HA ASP 29 HA ASP 29 10.387 16.827 -4.126 249 HB2 ASP 29 HB2 ASP 29 10.195 18.682 -5.835 250 HB3 ASP 29 HB1 ASP 29 10.294 19.845 -4.522 251 H ALA 30 HN ALA 30 8.795 19.310 -2.205 252 HA ALA 30 HA ALA 30 10.814 19.457 -0.140 253 HB1 ALA 30 HB1 ALA 30 9.205 20.870 1.058 254 HB2 ALA 30 HB2 ALA 30 7.943 20.446 -0.104 255 HB3 ALA 30 HB3 ALA 30 9.346 21.377 -0.629 256 H ASP 31 HN ASP 31 8.271 17.275 -0.868 257 HA ASP 31 HA ASP 31 7.738 16.373 1.859 258 HB2 ASP 31 HB2 ASP 31 5.927 16.492 0.143 259 HB3 ASP 31 HB1 ASP 31 6.777 15.306 -0.833 260 H ASN 32 HN ASN 32 10.188 16.074 1.891 261 HA ASN 32 HA ASN 32 10.979 13.328 1.157 262 HB2 ASN 32 HB2 ASN 32 13.353 14.212 1.544 263 HB3 ASN 32 HB1 ASN 32 12.507 14.843 0.139 264 HD21 ASN 32 HD21 ASN 32 13.898 16.614 0.067 265 HD22 ASN 32 HD22 ASN 32 13.792 17.930 1.182 266 H THR 33 HN THR 33 11.999 12.003 2.746 267 HA THR 33 HA THR 33 11.876 12.820 5.588 268 HB THR 33 HB THR 33 10.859 10.589 6.198 269 HG1 THR 33 HG1 THR 33 10.660 9.145 4.687 270 HG21 THR 33 HG21 THR 33 9.362 12.555 6.098 271 HG22 THR 33 HG22 THR 33 8.526 11.078 5.611 272 HG23 THR 33 HG23 THR 33 9.060 12.233 4.388 273 H TRP 34 HN TRP 34 13.077 11.340 6.995 274 HA TRP 34 HA TRP 34 15.387 10.017 5.793 275 HB2 TRP 34 HB2 TRP 34 14.501 10.458 8.683 276 HB3 TRP 34 HB1 TRP 34 15.920 9.506 8.260 277 HD1 TRP 34 HD1 TRP 34 14.723 13.132 8.495 278 HE1 TRP 34 HE1 TRP 34 16.765 14.675 8.226 279 HE3 TRP 34 HE3 TRP 34 18.187 9.644 7.100 280 HZ2 TRP 34 HZ2 TRP 34 19.485 14.441 7.501 281 HZ3 TRP 34 HZ3 TRP 34 20.487 10.377 6.629 282 HH2 TRP 34 HH2 TRP 34 21.117 12.727 6.827 283 H GLU 35 HN GLU 35 15.261 7.917 5.173 284 HA GLU 35 HA GLU 35 13.586 6.064 6.760 285 HB2 GLU 35 HB2 GLU 35 14.142 5.914 3.774 286 HB3 GLU 35 HB1 GLU 35 13.347 4.645 4.705 287 HG2 GLU 35 HG2 GLU 35 12.315 7.424 4.063 288 HG3 GLU 35 HG1 GLU 35 11.651 5.872 3.562 289 HA PRO 36 HA PRO 36 17.502 3.994 7.522 290 HB2 PRO 36 HB2 PRO 36 16.497 1.642 8.547 291 HB3 PRO 36 HB1 PRO 36 16.582 3.155 9.458 292 HG2 PRO 36 HG2 PRO 36 14.235 1.945 8.016 293 HG3 PRO 36 HG1 PRO 36 14.294 2.704 9.622 294 HD2 PRO 36 HD2 PRO 36 13.390 4.027 7.427 295 HD3 PRO 36 HD1 PRO 36 14.239 4.866 8.741 296 H GLU 37 HN GLU 37 18.677 2.179 6.795 297 HA GLU 37 HA GLU 37 18.428 1.527 4.084 298 HB2 GLU 37 HB2 GLU 37 20.273 -0.275 4.748 299 HB3 GLU 37 HB1 GLU 37 20.645 1.429 4.747 300 HG2 GLU 37 HG2 GLU 37 21.552 0.093 6.683 301 HG3 GLU 37 HG1 GLU 37 20.675 1.553 7.103 302 H GLU 38 HN GLU 38 17.167 -0.038 6.889 303 HA GLU 38 HA GLU 38 16.643 -2.617 5.808 304 HB2 GLU 38 HB2 GLU 38 15.170 -2.954 7.751 305 HB3 GLU 38 HB1 GLU 38 16.674 -2.185 8.249 306 HG2 GLU 38 HG2 GLU 38 15.550 -0.011 8.354 307 HG3 GLU 38 HG1 GLU 38 14.050 -0.734 7.792 308 H ASN 39 HN ASN 39 15.060 0.439 5.453 309 HA ASN 39 HA ASN 39 12.495 -0.593 4.497 310 HB2 ASN 39 HB2 ASN 39 13.606 2.210 4.971 311 HB3 ASN 39 HB1 ASN 39 12.061 1.951 4.165 312 HD21 ASN 39 HD21 ASN 39 11.098 3.162 5.849 313 HD22 ASN 39 HD22 ASN 39 10.761 2.440 7.382 314 H LEU 40 HN LEU 40 15.544 0.377 3.180 315 HA LEU 40 HA LEU 40 14.555 1.450 0.681 316 HB2 LEU 40 HB2 LEU 40 17.418 0.627 1.330 317 HB3 LEU 40 HB1 LEU 40 16.886 1.722 0.058 318 HG LEU 40 HG LEU 40 16.926 2.217 3.053 319 HD11 LEU 40 HD11 LEU 40 18.273 3.698 0.774 320 HD12 LEU 40 HD12 LEU 40 19.043 2.598 1.923 321 HD13 LEU 40 HD13 LEU 40 18.356 4.115 2.489 322 HD21 LEU 40 HD21 LEU 40 15.900 4.414 2.664 323 HD22 LEU 40 HD22 LEU 40 14.807 3.092 2.272 324 HD23 LEU 40 HD23 LEU 40 15.607 3.984 0.975 325 H ASP 41 HN ASP 41 13.781 0.198 -0.921 326 HA ASP 41 HA ASP 41 14.579 -2.588 -1.307 327 HB2 ASP 41 HB2 ASP 41 12.732 -0.793 -2.953 328 HB3 ASP 41 HB1 ASP 41 12.985 -2.512 -3.239 329 H CYS 42 HN CYS 42 15.266 0.586 -2.585 330 HA CYS 42 HA CYS 42 16.643 -0.277 -4.977 331 HB2 CYS 42 HB2 CYS 42 15.508 1.896 -4.937 332 HB3 CYS 42 HB1 CYS 42 16.533 2.444 -3.613 333 HG CYS 42 HG CYS 42 17.320 2.019 -6.882 334 HA PRO 43 HA PRO 43 20.544 -0.756 -2.524 335 HB2 PRO 43 HB2 PRO 43 21.854 -2.402 -4.224 336 HB3 PRO 43 HB1 PRO 43 20.549 -3.009 -3.193 337 HG2 PRO 43 HG2 PRO 43 20.450 -2.214 -6.103 338 HG3 PRO 43 HG1 PRO 43 19.768 -3.656 -5.321 339 HD2 PRO 43 HD2 PRO 43 18.281 -1.413 -5.911 340 HD3 PRO 43 HD1 PRO 43 17.889 -2.507 -4.567 341 H GLU 44 HN GLU 44 19.848 0.430 -5.685 342 HA GLU 44 HA GLU 44 22.386 1.185 -6.655 343 HB2 GLU 44 HB2 GLU 44 20.371 0.922 -8.088 344 HB3 GLU 44 HB1 GLU 44 19.617 2.301 -7.301 345 HG2 GLU 44 HG2 GLU 44 20.507 2.885 -9.515 346 HG3 GLU 44 HG1 GLU 44 21.285 3.813 -8.229 347 H LEU 45 HN LEU 45 19.796 3.085 -5.087 348 HA LEU 45 HA LEU 45 21.165 5.562 -5.019 349 HB2 LEU 45 HB2 LEU 45 18.828 4.541 -3.367 350 HB3 LEU 45 HB1 LEU 45 19.417 6.199 -3.277 351 HG LEU 45 HG LEU 45 18.216 4.846 -5.715 352 HD11 LEU 45 HD11 LEU 45 16.542 5.408 -4.064 353 HD12 LEU 45 HD12 LEU 45 16.400 6.492 -5.445 354 HD13 LEU 45 HD13 LEU 45 17.145 7.064 -3.947 355 HD21 LEU 45 HD21 LEU 45 19.405 7.631 -5.452 356 HD22 LEU 45 HD22 LEU 45 18.430 7.070 -6.813 357 HD23 LEU 45 HD23 LEU 45 19.980 6.309 -6.474 358 H ILE 46 HN ILE 46 21.159 2.839 -2.820 359 HA ILE 46 HA ILE 46 22.375 4.187 -0.598 360 HB ILE 46 HB ILE 46 22.626 1.203 -1.271 361 HG12 ILE 46 HG12 ILE 46 20.393 2.544 0.321 362 HG13 ILE 46 HG11 ILE 46 20.225 1.885 -1.303 363 HG21 ILE 46 HG21 ILE 46 24.134 1.975 0.514 364 HG22 ILE 46 HG22 ILE 46 22.895 0.901 1.159 365 HG23 ILE 46 HG23 ILE 46 22.760 2.643 1.405 366 HD11 ILE 46 HD11 ILE 46 20.828 0.308 1.205 367 HD12 ILE 46 HD12 ILE 46 20.708 -0.367 -0.423 368 HD13 ILE 46 HD13 ILE 46 19.298 0.372 0.333 369 H GLU 47 HN GLU 47 23.571 2.052 -3.188 370 HA GLU 47 HA GLU 47 26.256 1.903 -2.353 371 HB2 GLU 47 HB2 GLU 47 25.131 0.231 -3.829 372 HB3 GLU 47 HB1 GLU 47 25.081 1.413 -5.124 373 HG2 GLU 47 HG2 GLU 47 26.881 -0.146 -5.529 374 HG3 GLU 47 HG1 GLU 47 27.554 1.448 -5.190 375 H ALA 48 HN ALA 48 24.800 3.669 -5.085 376 HA ALA 48 HA ALA 48 27.105 4.853 -6.122 377 HB1 ALA 48 HB1 ALA 48 25.591 6.379 -7.329 378 HB2 ALA 48 HB2 ALA 48 24.261 5.921 -6.258 379 HB3 ALA 48 HB3 ALA 48 24.966 4.730 -7.353 380 H PHE 49 HN PHE 49 24.829 6.050 -3.703 381 HA PHE 49 HA PHE 49 25.884 8.639 -3.264 382 HB2 PHE 49 HB2 PHE 49 23.658 8.183 -2.518 383 HB3 PHE 49 HB1 PHE 49 24.156 6.765 -1.607 384 HD1 PHE 49 HD1 PHE 49 24.503 10.496 -1.683 385 HD2 PHE 49 HD2 PHE 49 24.565 6.957 0.709 386 HE1 PHE 49 HE1 PHE 49 24.649 11.863 0.350 387 HE2 PHE 49 HE2 PHE 49 24.709 8.329 2.731 388 HZ PHE 49 HZ PHE 49 24.759 10.784 2.558 389 H LEU 50 HN LEU 50 26.642 5.489 -1.761 390 HA LEU 50 HA LEU 50 28.409 6.499 0.248 391 HB2 LEU 50 HB2 LEU 50 28.271 3.723 -1.007 392 HB3 LEU 50 HB1 LEU 50 29.218 4.124 0.421 393 HG LEU 50 HG LEU 50 26.186 4.191 0.194 394 HD11 LEU 50 HD11 LEU 50 27.974 2.327 1.777 395 HD12 LEU 50 HD12 LEU 50 27.066 1.929 0.314 396 HD13 LEU 50 HD13 LEU 50 26.207 2.347 1.793 397 HD21 LEU 50 HD21 LEU 50 26.914 6.019 1.624 398 HD22 LEU 50 HD22 LEU 50 27.898 4.916 2.589 399 HD23 LEU 50 HD23 LEU 50 26.139 4.759 2.583 400 H ASN 51 HN ASN 51 28.897 5.351 -3.088 401 HA ASN 51 HA ASN 51 31.746 5.630 -3.162 402 HB2 ASN 51 HB2 ASN 51 29.699 5.520 -5.420 403 HB3 ASN 51 HB1 ASN 51 31.434 5.597 -5.699 404 HD21 ASN 51 HD21 ASN 51 28.778 3.579 -4.798 405 HD22 ASN 51 HD22 ASN 51 29.648 2.096 -4.685 406 H SER 52 HN SER 52 29.074 7.860 -3.625 407 HA SER 52 HA SER 52 30.444 10.006 -4.897 408 HB2 SER 52 HB2 SER 52 28.019 10.086 -3.045 409 HB3 SER 52 HB1 SER 52 28.558 11.424 -4.048 410 HG SER 52 HG SER 52 28.084 8.938 -5.254 411 H GLN 53 HN GLN 53 30.440 8.853 -1.628 412 HA GLN 53 HA GLN 53 31.761 11.282 -0.555 413 HB2 GLN 53 HB2 GLN 53 30.608 8.877 0.931 414 HB3 GLN 53 HB1 GLN 53 31.168 10.393 1.644 415 HG2 GLN 53 HG2 GLN 53 29.324 11.611 0.612 416 HG3 GLN 53 HG1 GLN 53 28.816 10.169 -0.266 417 HE21 GLN 53 HE21 GLN 53 27.957 8.410 0.908 418 HE22 GLN 53 HE22 GLN 53 27.228 8.650 2.455 419 H LYS 54 HN LYS 54 32.591 8.373 -1.927 420 HA LYS 54 HA LYS 54 34.933 7.864 -0.192 421 HB2 LYS 54 HB2 LYS 54 33.280 6.007 -0.296 422 HB3 LYS 54 HB1 LYS 54 33.422 5.964 -2.049 423 HG2 LYS 54 HG2 LYS 54 35.878 5.358 -1.733 424 HG3 LYS 54 HG1 LYS 54 35.542 5.208 -0.004 425 HD2 LYS 54 HD2 LYS 54 35.465 3.006 -1.094 426 HD3 LYS 54 HD1 LYS 54 33.869 3.438 -0.474 427 HE2 LYS 54 HE2 LYS 54 33.207 4.151 -2.774 428 HE3 LYS 54 HE1 LYS 54 34.792 3.643 -3.369 429 HZ1 LYS 54 HZ1 LYS 54 32.734 1.905 -2.133 430 HZ2 LYS 54 HZ2 LYS 54 34.259 1.389 -2.636 431 HZ3 LYS 54 HZ3 LYS 54 33.149 1.963 -3.771 432 H1 ALA 1 HT1 ALA 1 14.315 6.845 -20.274 433 H2 ALA 1 HT2 ALA 1 13.467 6.495 -18.860 434 H3 ALA 1 HT3 ALA 1 15.153 6.404 -18.873 435 HA ALA 1 HA ALA 1 15.331 8.768 -19.255 436 HB1 ALA 1 HB1 ALA 1 13.313 10.193 -19.167 437 HB2 ALA 1 HB2 ALA 1 12.296 8.752 -19.049 438 HB3 ALA 1 HB3 ALA 1 13.236 9.052 -20.513 439 H ARG 2 HN ARG 2 12.641 7.643 -17.199 440 HA ARG 2 HA ARG 2 14.031 8.637 -14.776 441 HB2 ARG 2 HB2 ARG 2 11.039 8.569 -15.369 442 HB3 ARG 2 HB1 ARG 2 11.769 9.104 -13.857 443 HG2 ARG 2 HG2 ARG 2 12.276 10.461 -16.530 444 HG3 ARG 2 HG1 ARG 2 10.983 10.934 -15.426 445 HD2 ARG 2 HD2 ARG 2 12.769 12.445 -15.004 446 HD3 ARG 2 HD1 ARG 2 12.796 11.303 -13.661 447 HE ARG 2 HE ARG 2 14.589 10.773 -15.915 448 HH11 ARG 2 HH11 ARG 2 14.277 11.923 -12.606 449 HH12 ARG 2 HH12 ARG 2 15.985 11.957 -12.330 450 HH21 ARG 2 HH21 ARG 2 16.816 10.803 -15.532 451 HH22 ARG 2 HH22 ARG 2 17.419 11.319 -13.989 452 H THR 3 HN THR 3 14.338 7.169 -13.200 453 HA THR 3 HA THR 3 13.337 4.418 -13.517 454 HB THR 3 HB THR 3 15.760 4.644 -13.263 455 HG1 THR 3 HG1 THR 3 16.000 3.287 -11.347 456 HG21 THR 3 HG21 THR 3 15.240 5.947 -10.563 457 HG22 THR 3 HG22 THR 3 15.856 6.767 -11.998 458 HG23 THR 3 HG23 THR 3 16.821 5.511 -11.223 459 H LYS 4 HN LYS 4 11.939 3.465 -12.123 460 HA LYS 4 HA LYS 4 10.834 5.020 -9.889 461 HB2 LYS 4 HB2 LYS 4 9.871 2.451 -11.218 462 HB3 LYS 4 HB1 LYS 4 9.095 3.177 -9.811 463 HG2 LYS 4 HG2 LYS 4 8.616 5.215 -11.142 464 HG3 LYS 4 HG1 LYS 4 9.363 4.463 -12.557 465 HD2 LYS 4 HD2 LYS 4 6.943 3.325 -11.081 466 HD3 LYS 4 HD1 LYS 4 6.834 4.357 -12.511 467 HE2 LYS 4 HE2 LYS 4 8.235 1.658 -12.417 468 HE3 LYS 4 HE1 LYS 4 6.619 1.947 -13.065 469 HZ1 LYS 4 HZ1 LYS 4 9.136 3.140 -14.098 470 HZ2 LYS 4 HZ2 LYS 4 7.590 3.441 -14.709 471 HZ3 LYS 4 HZ3 LYS 4 8.262 1.892 -14.822 472 H GLN 5 HN GLN 5 12.965 4.711 -8.852 473 HA GLN 5 HA GLN 5 13.684 2.219 -7.650 474 HB2 GLN 5 HB2 GLN 5 14.444 5.078 -6.966 475 HB3 GLN 5 HB1 GLN 5 15.157 3.663 -6.205 476 HG2 GLN 5 HG2 GLN 5 16.229 2.972 -8.179 477 HG3 GLN 5 HG1 GLN 5 15.229 4.001 -9.200 478 HE21 GLN 5 HE21 GLN 5 15.437 6.396 -7.749 479 HE22 GLN 5 HE22 GLN 5 17.060 6.967 -7.877 480 H THR 6 HN THR 6 13.208 1.449 -5.615 481 HA THR 6 HA THR 6 10.698 2.547 -4.522 482 HB THR 6 HB THR 6 11.579 -0.373 -4.615 483 HG1 THR 6 HG1 THR 6 10.873 1.085 -6.646 484 HG21 THR 6 HG21 THR 6 9.209 -0.885 -4.174 485 HG22 THR 6 HG22 THR 6 8.835 0.835 -4.071 486 HG23 THR 6 HG23 THR 6 9.879 0.085 -2.859 487 H ALA 7 HN ALA 7 10.323 2.432 -2.353 488 HA ALA 7 HA ALA 7 12.124 1.288 -0.432 489 HB1 ALA 7 HB1 ALA 7 12.566 3.396 0.785 490 HB2 ALA 7 HB2 ALA 7 11.748 4.315 -0.484 491 HB3 ALA 7 HB3 ALA 7 13.246 3.453 -0.841 492 H ARG 8 HN ARG 8 11.248 1.842 1.831 493 HA ARG 8 HA ARG 8 8.285 2.012 1.823 494 HB2 ARG 8 HB2 ARG 8 9.763 -0.226 2.542 495 HB3 ARG 8 HB1 ARG 8 9.628 0.569 4.102 496 HG2 ARG 8 HG2 ARG 8 7.295 -0.244 2.318 497 HG3 ARG 8 HG1 ARG 8 7.878 -1.157 3.711 498 HD2 ARG 8 HD2 ARG 8 6.846 0.232 5.210 499 HD3 ARG 8 HD1 ARG 8 7.174 1.681 4.269 500 HE ARG 8 HE ARG 8 5.245 0.162 2.909 501 HH11 ARG 8 HH11 ARG 8 5.493 2.074 5.869 502 HH12 ARG 8 HH12 ARG 8 3.841 2.595 5.799 503 HH21 ARG 8 HH21 ARG 8 3.142 0.913 2.798 504 HH22 ARG 8 HH22 ARG 8 2.506 1.928 4.054 505 H M3L 9 HN M3L 9 7.382 3.393 3.394 506 HA M3L 9 HA M3L 9 9.218 5.046 4.973 507 HB2 M3L 9 HB2 M3L 9 6.212 5.252 4.528 508 HB3 M3L 9 HB1 M3L 9 7.127 6.321 5.601 509 HG2 M3L 9 HG2 M3L 9 8.532 7.025 3.662 510 HG3 M3L 9 HG1 M3L 9 7.532 6.021 2.597 511 HD2 M3L 9 HD2 M3L 9 5.543 7.383 3.193 512 HD3 M3L 9 HD1 M3L 9 6.544 8.375 4.262 513 HE2 M3L 9 HE2 M3L 9 7.927 9.023 2.258 514 HE3 M3L 9 HE1 M3L 9 6.793 8.132 1.239 515 HM11 M3L 9 HH33 M3L 9 3.915 10.448 1.753 516 HM12 M3L 9 HH31 M3L 9 4.189 8.996 2.726 517 HM13 M3L 9 HH32 M3L 9 4.430 8.947 0.978 518 HM21 M3L 9 HH11 M3L 9 6.376 10.199 -0.058 519 HM22 M3L 9 HH12 M3L 9 7.497 11.086 0.978 520 HM23 M3L 9 HH13 M3L 9 5.850 11.680 0.751 521 HM31 M3L 9 HH21 M3L 9 5.794 10.253 4.186 522 HM32 M3L 9 HH22 M3L 9 5.524 11.714 3.232 523 HM33 M3L 9 HH23 M3L 9 7.165 11.106 3.471 524 H SER 10 HN SER 10 9.255 5.099 7.185 525 HA SER 10 HA SER 10 8.789 2.680 8.564 526 HB2 SER 10 HB2 SER 10 10.560 4.319 9.197 527 HB3 SER 10 HB1 SER 10 9.318 5.454 9.719 528 HG SER 10 HG SER 10 9.821 4.447 11.556 529 H THR 11 HN THR 11 6.987 1.928 9.442 530 HA THR 11 HA THR 11 4.465 3.086 9.124 531 HB THR 11 HB THR 11 3.694 1.146 10.597 532 HG1 THR 11 HG1 THR 11 5.331 -0.323 11.238 533 HG21 THR 11 HG21 THR 11 3.950 0.838 8.136 534 HG22 THR 11 HG22 THR 11 4.361 -0.628 9.025 535 HG23 THR 11 HG23 THR 11 5.643 0.394 8.375 536 H GLY 12 HN GLY 12 6.730 3.429 11.743 537 HA2 GLY 12 HA2 GLY 12 5.518 5.711 12.787 538 HA3 GLY 12 HA1 GLY 12 5.019 4.358 13.804 539 H GLY 13 HN GLY 13 6.264 4.135 15.538 540 HA2 GLY 13 HA2 GLY 13 9.180 4.194 15.329 541 HA3 GLY 13 HA1 GLY 13 8.440 5.400 16.383 542 H LYS 14 HN LYS 14 10.194 3.180 17.095 543 HA LYS 14 HA LYS 14 8.579 1.906 19.184 544 HB2 LYS 14 HB2 LYS 14 8.538 0.313 17.257 545 HB3 LYS 14 HB1 LYS 14 10.299 0.305 17.218 546 HG2 LYS 14 HG2 LYS 14 10.361 -0.722 19.448 547 HG3 LYS 14 HG1 LYS 14 8.598 -0.675 19.544 548 HD2 LYS 14 HD2 LYS 14 10.077 -2.190 17.352 549 HD3 LYS 14 HD1 LYS 14 9.696 -2.923 18.907 550 HE2 LYS 14 HE2 LYS 14 8.008 -3.592 17.324 551 HE3 LYS 14 HE1 LYS 14 7.263 -2.475 18.461 552 HZ1 LYS 14 HZ1 LYS 14 7.394 -0.742 16.818 553 HZ2 LYS 14 HZ2 LYS 14 6.619 -2.085 16.151 554 HZ3 LYS 14 HZ3 LYS 14 8.221 -1.754 15.747 555 H ALA 15 HN ALA 15 9.678 1.848 21.049 556 HA ALA 15 HA ALA 15 12.563 1.803 21.269 557 HB1 ALA 15 HB1 ALA 15 12.763 3.998 22.390 558 HB2 ALA 15 HB2 ALA 15 11.051 4.317 22.094 559 HB3 ALA 15 HB3 ALA 15 12.175 4.190 20.738 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 9.314 -2.451 -1.323 2 H2 GLY 1 HT2 GLY 1 8.097 -2.365 -2.492 3 H3 GLY 1 HT3 GLY 1 7.701 -2.627 -0.873 4 HA2 GLY 1 HA1 GLY 1 8.487 -0.464 -0.259 5 HA3 GLY 1 HA2 GLY 1 8.995 -0.178 -1.916 6 H GLU 2 HN GLU 2 7.302 1.572 -0.588 7 HA GLU 2 HA GLU 2 4.575 1.075 -1.576 8 HB2 GLU 2 HB2 GLU 2 5.573 3.382 0.142 9 HB3 GLU 2 HB1 GLU 2 3.892 3.022 -0.248 10 HG2 GLU 2 HG2 GLU 2 5.768 1.530 1.594 11 HG3 GLU 2 HG1 GLU 2 4.222 2.282 1.972 12 H PHE 3 HN PHE 3 7.047 3.643 -1.694 13 HA PHE 3 HA PHE 3 6.007 4.558 -4.314 14 HB2 PHE 3 HB2 PHE 3 6.833 6.384 -1.994 15 HB3 PHE 3 HB1 PHE 3 6.341 6.922 -3.601 16 HD1 PHE 3 HD1 PHE 3 3.963 6.509 -4.372 17 HD2 PHE 3 HD2 PHE 3 5.179 5.856 -0.333 18 HE1 PHE 3 HE1 PHE 3 1.610 6.499 -3.656 19 HE2 PHE 3 HE2 PHE 3 2.827 5.851 0.376 20 HZ PHE 3 HZ PHE 3 1.038 6.167 -1.285 21 H VAL 4 HN VAL 4 7.526 5.307 -5.734 22 HA VAL 4 HA VAL 4 10.201 4.408 -5.520 23 HB VAL 4 HB VAL 4 10.576 5.778 -7.655 24 HG11 VAL 4 HG11 VAL 4 9.189 4.302 -9.072 25 HG12 VAL 4 HG12 VAL 4 8.243 3.824 -7.659 26 HG13 VAL 4 HG13 VAL 4 9.955 3.402 -7.758 27 HG21 VAL 4 HG21 VAL 4 8.581 6.718 -8.789 28 HG22 VAL 4 HG22 VAL 4 8.894 7.547 -7.262 29 HG23 VAL 4 HG23 VAL 4 7.597 6.354 -7.367 30 H VAL 5 HN VAL 5 11.988 5.359 -4.835 31 HA VAL 5 HA VAL 5 11.952 8.188 -3.987 32 HB VAL 5 HB VAL 5 12.647 6.895 -2.137 33 HG11 VAL 5 HG11 VAL 5 13.061 4.743 -3.265 34 HG12 VAL 5 HG12 VAL 5 14.354 5.139 -2.129 35 HG13 VAL 5 HG13 VAL 5 14.609 5.350 -3.867 36 HG21 VAL 5 HG21 VAL 5 15.005 7.546 -1.719 37 HG22 VAL 5 HG22 VAL 5 14.103 8.858 -2.475 38 HG23 VAL 5 HG23 VAL 5 15.220 7.888 -3.438 39 H GLU 6 HN GLU 6 13.151 9.672 -5.004 40 HA GLU 6 HA GLU 6 14.274 9.111 -7.559 41 HB2 GLU 6 HB2 GLU 6 13.119 11.254 -6.947 42 HB3 GLU 6 HB1 GLU 6 14.482 11.671 -5.918 43 HG2 GLU 6 HG2 GLU 6 15.965 11.676 -7.904 44 HG3 GLU 6 HG1 GLU 6 14.592 11.259 -8.924 45 H LYS 7 HN LYS 7 15.736 10.322 -4.505 46 HA LYS 7 HA LYS 7 18.166 8.863 -4.924 47 HB2 LYS 7 HB2 LYS 7 19.737 10.637 -5.247 48 HB3 LYS 7 HB1 LYS 7 18.474 10.879 -6.443 49 HG2 LYS 7 HG2 LYS 7 18.795 12.436 -3.852 50 HG3 LYS 7 HG1 LYS 7 19.262 12.998 -5.460 51 HD2 LYS 7 HD2 LYS 7 16.844 12.855 -6.143 52 HD3 LYS 7 HD1 LYS 7 16.440 12.415 -4.479 53 HE2 LYS 7 HE2 LYS 7 16.027 14.793 -4.847 54 HE3 LYS 7 HE1 LYS 7 17.344 14.577 -3.698 55 HZ1 LYS 7 HZ1 LYS 7 17.825 16.310 -5.294 56 HZ2 LYS 7 HZ2 LYS 7 17.657 15.218 -6.577 57 HZ3 LYS 7 HZ3 LYS 7 18.914 15.029 -5.461 58 H VAL 8 HN VAL 8 19.722 9.123 -3.224 59 HA VAL 8 HA VAL 8 18.618 9.658 -0.606 60 HB VAL 8 HB VAL 8 21.479 8.913 -1.393 61 HG11 VAL 8 HG11 VAL 8 21.383 10.022 0.812 62 HG12 VAL 8 HG12 VAL 8 21.784 8.315 0.988 63 HG13 VAL 8 HG13 VAL 8 20.149 8.876 1.349 64 HG21 VAL 8 HG21 VAL 8 19.881 7.127 -2.024 65 HG22 VAL 8 HG22 VAL 8 19.238 7.108 -0.381 66 HG23 VAL 8 HG23 VAL 8 20.903 6.606 -0.682 67 H LEU 9 HN LEU 9 18.819 11.498 0.468 68 HA LEU 9 HA LEU 9 20.200 13.814 -0.616 69 HB2 LEU 9 HB2 LEU 9 18.462 13.476 1.863 70 HB3 LEU 9 HB1 LEU 9 19.048 15.015 1.237 71 HG LEU 9 HG LEU 9 17.223 13.164 -0.355 72 HD11 LEU 9 HD11 LEU 9 16.024 13.856 1.652 73 HD12 LEU 9 HD12 LEU 9 15.361 14.649 0.225 74 HD13 LEU 9 HD13 LEU 9 16.406 15.550 1.328 75 HD21 LEU 9 HD21 LEU 9 16.802 15.168 -1.724 76 HD22 LEU 9 HD22 LEU 9 18.508 14.726 -1.738 77 HD23 LEU 9 HD23 LEU 9 17.956 16.086 -0.753 78 H ASP 10 HN ASP 10 20.128 11.973 2.437 79 HA ASP 10 HA ASP 10 22.908 12.573 3.062 80 HB2 ASP 10 HB2 ASP 10 21.662 14.597 3.899 81 HB3 ASP 10 HB1 ASP 10 20.640 13.551 4.878 82 H ARG 11 HN ARG 11 23.556 11.430 5.062 83 HA ARG 11 HA ARG 11 21.878 9.117 5.822 84 HB2 ARG 11 HB2 ARG 11 23.474 8.190 4.308 85 HB3 ARG 11 HB1 ARG 11 24.775 9.190 4.935 86 HG2 ARG 11 HG2 ARG 11 24.797 7.866 7.015 87 HG3 ARG 11 HG1 ARG 11 23.487 6.861 6.390 88 HD2 ARG 11 HD2 ARG 11 24.873 5.928 4.699 89 HD3 ARG 11 HD1 ARG 11 26.113 7.163 4.914 90 HE ARG 11 HE ARG 11 26.270 6.075 7.277 91 HH11 ARG 11 HH11 ARG 11 25.702 4.261 4.316 92 HH12 ARG 11 HH12 ARG 11 26.678 2.921 4.817 93 HH21 ARG 11 HH21 ARG 11 27.495 4.318 7.928 94 HH22 ARG 11 HH22 ARG 11 27.687 2.952 6.879 95 H ARG 12 HN ARG 12 21.894 8.671 7.995 96 HA ARG 12 HA ARG 12 23.933 9.871 9.760 97 HB2 ARG 12 HB2 ARG 12 22.244 10.479 11.433 98 HB3 ARG 12 HB1 ARG 12 21.889 11.301 9.916 99 HG2 ARG 12 HG2 ARG 12 20.077 9.776 9.431 100 HG3 ARG 12 HG1 ARG 12 20.506 8.749 10.799 101 HD2 ARG 12 HD2 ARG 12 18.525 10.203 11.227 102 HD3 ARG 12 HD1 ARG 12 19.833 10.447 12.377 103 HE ARG 12 HE ARG 12 20.323 12.401 10.615 104 HH11 ARG 12 HH11 ARG 12 17.255 11.463 11.996 105 HH12 ARG 12 HH12 ARG 12 16.684 13.090 12.150 106 HH21 ARG 12 HH21 ARG 12 19.573 14.535 10.820 107 HH22 ARG 12 HH22 ARG 12 18.004 14.838 11.494 108 H VAL 13 HN VAL 13 23.808 8.821 11.952 109 HA VAL 13 HA VAL 13 22.917 6.001 11.909 110 HB VAL 13 HB VAL 13 25.432 7.107 13.260 111 HG11 VAL 13 HG11 VAL 13 24.356 4.251 13.214 112 HG12 VAL 13 HG12 VAL 13 24.398 5.318 14.622 113 HG13 VAL 13 HG13 VAL 13 25.905 4.753 13.896 114 HG21 VAL 13 HG21 VAL 13 25.176 5.205 10.894 115 HG22 VAL 13 HG22 VAL 13 26.689 5.668 11.679 116 HG23 VAL 13 HG23 VAL 13 25.734 6.881 10.824 117 H VAL 14 HN VAL 14 21.242 5.824 13.278 118 HA VAL 14 HA VAL 14 21.325 7.149 15.941 119 HB VAL 14 HB VAL 14 18.824 6.665 14.240 120 HG11 VAL 14 HG11 VAL 14 17.564 7.802 16.056 121 HG12 VAL 14 HG12 VAL 14 19.035 7.859 17.033 122 HG13 VAL 14 HG13 VAL 14 18.311 6.303 16.616 123 HG21 VAL 14 HG21 VAL 14 20.102 9.291 15.088 124 HG22 VAL 14 HG22 VAL 14 18.581 9.130 14.203 125 HG23 VAL 14 HG23 VAL 14 20.098 8.622 13.456 126 H ASN 15 HN ASN 15 21.221 5.735 17.589 127 HA ASN 15 HA ASN 15 21.037 3.867 18.841 128 HB2 ASN 15 HB2 ASN 15 18.599 4.015 18.103 129 HB3 ASN 15 HB1 ASN 15 18.971 2.893 16.804 130 HD21 ASN 15 HD21 ASN 15 17.577 1.291 17.521 131 HD22 ASN 15 HD22 ASN 15 17.813 0.403 18.982 132 H GLY 16 HN GLY 16 22.802 4.040 16.354 133 HA2 GLY 16 HA2 GLY 16 24.546 2.751 15.584 134 HA3 GLY 16 HA1 GLY 16 23.913 1.370 16.458 135 H LYS 17 HN LYS 17 21.591 2.897 14.436 136 HA LYS 17 HA LYS 17 21.999 0.898 12.274 137 HB2 LYS 17 HB2 LYS 17 19.701 0.776 11.930 138 HB3 LYS 17 HB1 LYS 17 19.742 1.051 13.667 139 HG2 LYS 17 HG2 LYS 17 19.330 3.500 13.212 140 HG3 LYS 17 HG1 LYS 17 19.127 3.104 11.503 141 HD2 LYS 17 HD2 LYS 17 17.410 2.106 13.819 142 HD3 LYS 17 HD1 LYS 17 16.939 3.298 12.602 143 HE2 LYS 17 HE2 LYS 17 17.115 1.567 10.849 144 HE3 LYS 17 HE1 LYS 17 17.577 0.370 12.058 145 HZ1 LYS 17 HZ1 LYS 17 15.420 0.703 13.121 146 HZ2 LYS 17 HZ2 LYS 17 15.260 0.185 11.518 147 HZ3 LYS 17 HZ3 LYS 17 14.989 1.810 11.916 148 H VAL 18 HN VAL 18 21.630 1.656 10.088 149 HA VAL 18 HA VAL 18 22.465 4.434 9.635 150 HB VAL 18 HB VAL 18 22.308 2.092 7.691 151 HG11 VAL 18 HG11 VAL 18 23.545 4.845 7.318 152 HG12 VAL 18 HG12 VAL 18 22.086 4.245 6.522 153 HG13 VAL 18 HG13 VAL 18 23.653 3.512 6.166 154 HG21 VAL 18 HG21 VAL 18 24.743 3.276 9.081 155 HG22 VAL 18 HG22 VAL 18 24.785 2.020 7.839 156 HG23 VAL 18 HG23 VAL 18 24.029 1.690 9.400 157 H GLU 19 HN GLU 19 20.966 5.911 9.068 158 HA GLU 19 HA GLU 19 18.535 5.067 7.590 159 HB2 GLU 19 HB2 GLU 19 18.840 7.369 9.568 160 HB3 GLU 19 HB1 GLU 19 17.402 7.062 8.591 161 HG2 GLU 19 HG2 GLU 19 17.137 4.869 9.716 162 HG3 GLU 19 HG1 GLU 19 18.532 5.230 10.734 163 H TYR 20 HN TYR 20 18.136 6.081 5.717 164 HA TYR 20 HA TYR 20 19.913 8.242 4.782 165 HB2 TYR 20 HB2 TYR 20 18.343 6.128 3.226 166 HB3 TYR 20 HB1 TYR 20 19.219 7.455 2.473 167 HD1 TYR 20 HD1 TYR 20 21.730 7.564 2.689 168 HD2 TYR 20 HD2 TYR 20 19.558 4.112 3.949 169 HE1 TYR 20 HE1 TYR 20 23.795 6.264 2.649 170 HE2 TYR 20 HE2 TYR 20 21.654 2.810 3.909 171 HH TYR 20 HH TYR 20 23.843 2.846 2.983 172 H PHE 21 HN PHE 21 18.976 10.194 4.434 173 HA PHE 21 HA PHE 21 16.160 10.692 4.701 174 HB2 PHE 21 HB2 PHE 21 18.115 12.264 5.348 175 HB3 PHE 21 HB1 PHE 21 18.293 12.606 3.637 176 HD1 PHE 21 HD1 PHE 21 14.934 12.178 5.123 177 HD2 PHE 21 HD2 PHE 21 17.955 14.998 4.036 178 HE1 PHE 21 HE1 PHE 21 13.336 14.013 5.429 179 HE2 PHE 21 HE2 PHE 21 16.343 16.828 4.333 180 HZ PHE 21 HZ PHE 21 14.038 16.339 5.034 181 H LEU 22 HN LEU 22 14.833 10.103 3.061 182 HA LEU 22 HA LEU 22 15.906 9.944 0.322 183 HB2 LEU 22 HB2 LEU 22 13.533 8.573 1.620 184 HB3 LEU 22 HB1 LEU 22 13.928 8.452 -0.090 185 HG LEU 22 HG LEU 22 15.422 7.292 2.278 186 HD11 LEU 22 HD11 LEU 22 15.217 5.220 0.951 187 HD12 LEU 22 HD12 LEU 22 14.323 6.104 -0.286 188 HD13 LEU 22 HD13 LEU 22 13.655 5.937 1.341 189 HD21 LEU 22 HD21 LEU 22 17.182 8.343 0.941 190 HD22 LEU 22 HD22 LEU 22 16.564 7.591 -0.530 191 HD23 LEU 22 HD23 LEU 22 17.251 6.591 0.754 192 H LYS 23 HN LYS 23 15.257 11.320 -1.149 193 HA LYS 23 HA LYS 23 12.795 12.895 -0.833 194 HB2 LYS 23 HB2 LYS 23 15.177 13.824 -1.557 195 HB3 LYS 23 HB1 LYS 23 14.768 13.177 -3.138 196 HG2 LYS 23 HG2 LYS 23 13.168 15.255 -1.598 197 HG3 LYS 23 HG1 LYS 23 14.302 15.603 -2.908 198 HD2 LYS 23 HD2 LYS 23 12.876 14.316 -4.466 199 HD3 LYS 23 HD1 LYS 23 11.742 13.974 -3.156 200 HE2 LYS 23 HE2 LYS 23 11.290 16.389 -2.919 201 HE3 LYS 23 HE1 LYS 23 12.414 16.731 -4.240 202 HZ1 LYS 23 HZ1 LYS 23 9.979 15.058 -4.480 203 HZ2 LYS 23 HZ2 LYS 23 11.020 15.514 -5.732 204 HZ3 LYS 23 HZ3 LYS 23 10.087 16.679 -4.942 205 H TRP 24 HN TRP 24 10.995 12.205 -1.843 206 HA TRP 24 HA TRP 24 11.087 9.743 -3.366 207 HB2 TRP 24 HB2 TRP 24 8.678 11.403 -2.485 208 HB3 TRP 24 HB1 TRP 24 8.647 9.737 -3.071 209 HD1 TRP 24 HD1 TRP 24 9.284 11.776 0.064 210 HE1 TRP 24 HE1 TRP 24 9.764 10.200 2.039 211 HE3 TRP 24 HE3 TRP 24 9.731 7.360 -2.482 212 HZ2 TRP 24 HZ2 TRP 24 10.276 7.483 2.469 213 HZ3 TRP 24 HZ3 TRP 24 10.221 5.314 -1.207 214 HH2 TRP 24 HH2 TRP 24 10.489 5.372 1.223 215 H LYS 25 HN LYS 25 10.502 9.428 -5.476 216 HA LYS 25 HA LYS 25 11.017 11.627 -7.257 217 HB2 LYS 25 HB2 LYS 25 11.871 9.231 -7.543 218 HB3 LYS 25 HB1 LYS 25 10.232 8.771 -7.978 219 HG2 LYS 25 HG2 LYS 25 10.296 10.241 -9.931 220 HG3 LYS 25 HG1 LYS 25 11.894 10.826 -9.472 221 HD2 LYS 25 HD2 LYS 25 12.121 9.203 -11.268 222 HD3 LYS 25 HD1 LYS 25 12.805 8.525 -9.789 223 HE2 LYS 25 HE2 LYS 25 10.740 7.200 -9.451 224 HE3 LYS 25 HE1 LYS 25 10.053 7.883 -10.927 225 HZ1 LYS 25 HZ1 LYS 25 10.991 5.691 -11.280 226 HZ2 LYS 25 HZ2 LYS 25 12.511 6.229 -10.769 227 HZ3 LYS 25 HZ3 LYS 25 11.821 6.851 -12.184 228 H GLY 26 HN GLY 26 9.560 12.788 -8.416 229 HA2 GLY 26 HA2 GLY 26 7.637 13.319 -9.585 230 HA3 GLY 26 HA1 GLY 26 6.902 11.806 -9.090 231 H PHE 27 HN PHE 27 8.087 13.238 -6.358 232 HA PHE 27 HA PHE 27 5.477 14.414 -5.617 233 HB2 PHE 27 HB2 PHE 27 7.661 13.107 -3.950 234 HB3 PHE 27 HB1 PHE 27 6.340 14.015 -3.228 235 HD1 PHE 27 HD2 PHE 27 3.983 13.202 -3.474 236 HD2 PHE 27 HD1 PHE 27 7.315 10.835 -4.716 237 HE1 PHE 27 HE2 PHE 27 2.554 11.200 -3.488 238 HE2 PHE 27 HE1 PHE 27 5.883 8.833 -4.728 239 HZ PHE 27 HZ PHE 27 3.500 9.014 -4.118 240 H THR 28 HN THR 28 5.748 16.099 -3.754 241 HA THR 28 HA THR 28 7.011 18.398 -4.830 242 HB THR 28 HB THR 28 6.259 19.527 -2.718 243 HG1 THR 28 HG1 THR 28 4.982 18.099 -1.276 244 HG21 THR 28 HG21 THR 28 4.628 19.284 -4.564 245 HG22 THR 28 HG22 THR 28 3.824 19.150 -3.001 246 HG23 THR 28 HG23 THR 28 4.149 17.698 -3.949 247 H ASP 29 HN ASP 29 8.542 19.832 -3.606 248 HA ASP 29 HA ASP 29 11.027 18.533 -3.222 249 HB2 ASP 29 HB2 ASP 29 10.821 20.876 -4.046 250 HB3 ASP 29 HB1 ASP 29 10.236 21.386 -2.464 251 H ALA 30 HN ALA 30 8.711 19.899 -0.926 252 HA ALA 30 HA ALA 30 10.211 19.459 1.457 253 HB1 ALA 30 HB1 ALA 30 8.110 19.982 2.621 254 HB2 ALA 30 HB2 ALA 30 7.225 19.842 1.099 255 HB3 ALA 30 HB3 ALA 30 8.415 21.127 1.314 256 H ASP 31 HN ASP 31 8.501 17.304 -0.559 257 HA ASP 31 HA ASP 31 7.675 15.389 1.442 258 HB2 ASP 31 HB2 ASP 31 6.392 15.841 -0.699 259 HB3 ASP 31 HB1 ASP 31 7.710 15.104 -1.598 260 H ASN 32 HN ASN 32 9.820 15.281 2.308 261 HA ASN 32 HA ASN 32 11.269 12.963 1.266 262 HB2 ASN 32 HB2 ASN 32 13.476 14.122 1.970 263 HB3 ASN 32 HB1 ASN 32 12.735 14.639 0.464 264 HD21 ASN 32 HD21 ASN 32 13.934 16.549 0.559 265 HD22 ASN 32 HD22 ASN 32 13.522 17.851 1.613 266 H THR 33 HN THR 33 11.791 11.496 2.842 267 HA THR 33 HA THR 33 11.330 12.184 5.701 268 HB THR 33 HB THR 33 10.123 9.972 5.940 269 HG1 THR 33 HG1 THR 33 10.498 8.695 4.265 270 HG21 THR 33 HG21 THR 33 8.760 12.035 5.678 271 HG22 THR 33 HG22 THR 33 7.969 10.643 4.933 272 HG23 THR 33 HG23 THR 33 8.800 11.831 3.926 273 H TRP 34 HN TRP 34 12.592 10.979 7.190 274 HA TRP 34 HA TRP 34 15.000 9.725 6.212 275 HB2 TRP 34 HB2 TRP 34 13.926 10.110 9.038 276 HB3 TRP 34 HB1 TRP 34 15.428 9.259 8.698 277 HD1 TRP 34 HD1 TRP 34 13.979 12.785 8.903 278 HE1 TRP 34 HE1 TRP 34 15.895 14.485 8.689 279 HE3 TRP 34 HE3 TRP 34 17.767 9.591 7.594 280 HZ2 TRP 34 HZ2 TRP 34 18.640 14.485 8.041 281 HZ3 TRP 34 HZ3 TRP 34 20.007 10.521 7.181 282 HH2 TRP 34 HH2 TRP 34 20.435 12.925 7.404 283 H GLU 35 HN GLU 35 14.921 7.765 5.389 284 HA GLU 35 HA GLU 35 13.237 5.639 6.569 285 HB2 GLU 35 HB2 GLU 35 14.281 5.986 3.741 286 HB3 GLU 35 HB1 GLU 35 13.430 4.548 4.297 287 HG2 GLU 35 HG2 GLU 35 12.333 7.354 3.974 288 HG3 GLU 35 HG1 GLU 35 11.919 5.920 3.042 289 HA PRO 36 HA PRO 36 17.271 3.701 7.483 290 HB2 PRO 36 HB2 PRO 36 16.357 1.354 8.510 291 HB3 PRO 36 HB1 PRO 36 16.255 2.879 9.405 292 HG2 PRO 36 HG2 PRO 36 14.115 1.484 7.792 293 HG3 PRO 36 HG1 PRO 36 14.006 2.202 9.415 294 HD2 PRO 36 HD2 PRO 36 13.158 3.517 7.176 295 HD3 PRO 36 HD1 PRO 36 13.826 4.379 8.578 296 H GLU 37 HN GLU 37 18.569 2.096 6.561 297 HA GLU 37 HA GLU 37 18.143 1.510 3.847 298 HB2 GLU 37 HB2 GLU 37 20.231 -0.100 4.262 299 HB3 GLU 37 HB1 GLU 37 20.396 1.640 4.275 300 HG2 GLU 37 HG2 GLU 37 21.661 0.562 6.076 301 HG3 GLU 37 HG1 GLU 37 20.470 1.706 6.670 302 H GLU 38 HN GLU 38 17.357 -0.346 6.646 303 HA GLU 38 HA GLU 38 17.142 -2.937 5.517 304 HB2 GLU 38 HB2 GLU 38 15.803 -3.475 7.532 305 HB3 GLU 38 HB1 GLU 38 17.234 -2.542 7.956 306 HG2 GLU 38 HG2 GLU 38 15.895 -0.509 8.170 307 HG3 GLU 38 HG1 GLU 38 14.449 -1.369 7.646 308 H ASN 39 HN ASN 39 15.027 -0.166 5.510 309 HA ASN 39 HA ASN 39 12.611 -1.646 4.755 310 HB2 ASN 39 HB2 ASN 39 12.796 0.354 6.484 311 HB3 ASN 39 HB1 ASN 39 12.788 1.383 5.056 312 HD21 ASN 39 HD21 ASN 39 10.828 1.720 6.842 313 HD22 ASN 39 HD22 ASN 39 9.324 1.135 6.242 314 H LEU 40 HN LEU 40 15.214 -0.048 3.248 315 HA LEU 40 HA LEU 40 13.809 1.011 0.949 316 HB2 LEU 40 HB2 LEU 40 16.809 0.532 1.147 317 HB3 LEU 40 HB1 LEU 40 15.961 1.640 0.073 318 HG LEU 40 HG LEU 40 16.551 1.930 3.026 319 HD11 LEU 40 HD11 LEU 40 17.423 4.126 2.380 320 HD12 LEU 40 HD12 LEU 40 16.986 3.827 0.696 321 HD13 LEU 40 HD13 LEU 40 18.213 2.830 1.484 322 HD21 LEU 40 HD21 LEU 40 15.078 3.921 3.103 323 HD22 LEU 40 HD22 LEU 40 14.203 2.406 2.938 324 HD23 LEU 40 HD23 LEU 40 14.403 3.463 1.536 325 H ASP 41 HN ASP 41 13.580 0.085 -1.053 326 HA ASP 41 HA ASP 41 14.441 -2.714 -1.414 327 HB2 ASP 41 HB2 ASP 41 12.556 -0.983 -3.086 328 HB3 ASP 41 HB1 ASP 41 12.928 -2.680 -3.393 329 H CYS 42 HN CYS 42 15.789 0.234 -1.828 330 HA CYS 42 HA CYS 42 16.943 -0.281 -4.500 331 HB2 CYS 42 HB2 CYS 42 15.563 1.799 -4.239 332 HB3 CYS 42 HB1 CYS 42 16.734 2.384 -3.052 333 HG CYS 42 HG CYS 42 16.849 3.297 -5.942 334 HA PRO 43 HA PRO 43 20.825 -0.594 -1.995 335 HB2 PRO 43 HB2 PRO 43 22.009 -2.540 -3.474 336 HB3 PRO 43 HB1 PRO 43 20.782 -2.929 -2.257 337 HG2 PRO 43 HG2 PRO 43 20.468 -2.657 -5.246 338 HG3 PRO 43 HG1 PRO 43 19.845 -3.932 -4.175 339 HD2 PRO 43 HD2 PRO 43 18.316 -1.822 -5.040 340 HD3 PRO 43 HD1 PRO 43 18.040 -2.632 -3.480 341 H GLU 44 HN GLU 44 19.939 0.067 -5.259 342 HA GLU 44 HA GLU 44 22.491 0.642 -6.385 343 HB2 GLU 44 HB2 GLU 44 20.463 0.012 -7.713 344 HB3 GLU 44 HB1 GLU 44 19.716 1.546 -7.279 345 HG2 GLU 44 HG2 GLU 44 21.474 2.761 -8.507 346 HG3 GLU 44 HG1 GLU 44 22.260 1.235 -8.909 347 H LEU 45 HN LEU 45 19.892 2.693 -5.010 348 HA LEU 45 HA LEU 45 21.222 5.184 -5.371 349 HB2 LEU 45 HB2 LEU 45 18.867 4.292 -3.714 350 HB3 LEU 45 HB1 LEU 45 19.547 5.887 -3.433 351 HG LEU 45 HG LEU 45 18.448 4.908 -6.098 352 HD11 LEU 45 HD11 LEU 45 17.257 6.837 -4.085 353 HD12 LEU 45 HD12 LEU 45 16.650 5.227 -4.484 354 HD13 LEU 45 HD13 LEU 45 16.614 6.507 -5.698 355 HD21 LEU 45 HD21 LEU 45 20.261 6.500 -6.436 356 HD22 LEU 45 HD22 LEU 45 19.549 7.618 -5.269 357 HD23 LEU 45 HD23 LEU 45 18.721 7.282 -6.792 358 H ILE 46 HN ILE 46 21.041 2.917 -2.653 359 HA ILE 46 HA ILE 46 22.509 4.376 -0.748 360 HB ILE 46 HB ILE 46 22.249 1.364 -1.190 361 HG12 ILE 46 HG12 ILE 46 20.911 3.253 0.811 362 HG13 ILE 46 HG11 ILE 46 20.144 2.553 -0.611 363 HG21 ILE 46 HG21 ILE 46 23.503 2.731 1.218 364 HG22 ILE 46 HG22 ILE 46 24.336 1.710 0.042 365 HG23 ILE 46 HG23 ILE 46 23.112 1.013 1.104 366 HD11 ILE 46 HD11 ILE 46 21.102 1.058 1.832 367 HD12 ILE 46 HD12 ILE 46 20.376 0.318 0.403 368 HD13 ILE 46 HD13 ILE 46 19.432 1.423 1.400 369 H GLU 47 HN GLU 47 23.643 1.980 -3.141 370 HA GLU 47 HA GLU 47 26.399 2.104 -2.624 371 HB2 GLU 47 HB2 GLU 47 25.415 0.298 -3.957 372 HB3 GLU 47 HB1 GLU 47 24.922 1.437 -5.204 373 HG2 GLU 47 HG2 GLU 47 27.331 1.904 -5.677 374 HG3 GLU 47 HG1 GLU 47 27.772 0.692 -4.474 375 H ALA 48 HN ALA 48 24.487 3.786 -5.115 376 HA ALA 48 HA ALA 48 26.535 5.159 -6.426 377 HB1 ALA 48 HB1 ALA 48 24.253 4.904 -7.336 378 HB2 ALA 48 HB2 ALA 48 24.754 6.600 -7.342 379 HB3 ALA 48 HB3 ALA 48 23.635 6.006 -6.109 380 H PHE 49 HN PHE 49 24.624 6.022 -3.607 381 HA PHE 49 HA PHE 49 25.539 8.692 -3.236 382 HB2 PHE 49 HB2 PHE 49 23.456 8.003 -2.244 383 HB3 PHE 49 HB1 PHE 49 24.214 6.660 -1.399 384 HD1 PHE 49 HD2 PHE 49 24.237 10.419 -1.552 385 HD2 PHE 49 HD1 PHE 49 24.859 6.930 0.841 386 HE1 PHE 49 HE2 PHE 49 24.524 11.830 0.444 387 HE2 PHE 49 HE1 PHE 49 25.152 8.348 2.818 388 HZ PHE 49 HZ PHE 49 24.992 10.786 2.622 389 H LEU 50 HN LEU 50 26.557 5.558 -1.835 390 HA LEU 50 HA LEU 50 28.576 6.560 -0.090 391 HB2 LEU 50 HB2 LEU 50 28.418 3.817 -1.420 392 HB3 LEU 50 HB1 LEU 50 29.421 4.221 -0.035 393 HG LEU 50 HG LEU 50 26.379 4.194 -0.048 394 HD11 LEU 50 HD11 LEU 50 26.535 2.188 1.329 395 HD12 LEU 50 HD12 LEU 50 28.296 2.209 1.194 396 HD13 LEU 50 HD13 LEU 50 27.301 1.940 -0.241 397 HD21 LEU 50 HD21 LEU 50 26.514 4.469 2.390 398 HD22 LEU 50 HD22 LEU 50 27.217 5.849 1.547 399 HD23 LEU 50 HD23 LEU 50 28.270 4.633 2.280 400 H ASN 51 HN ASN 51 28.572 5.584 -3.465 401 HA ASN 51 HA ASN 51 31.401 5.702 -3.937 402 HB2 ASN 51 HB2 ASN 51 29.013 5.565 -5.810 403 HB3 ASN 51 HB1 ASN 51 30.665 5.650 -6.401 404 HD21 ASN 51 HD21 ASN 51 29.563 3.762 -3.576 405 HD22 ASN 51 HD22 ASN 51 29.893 2.221 -4.275 406 H SER 52 HN SER 52 28.720 7.941 -4.075 407 HA SER 52 HA SER 52 30.076 10.052 -5.483 408 HB2 SER 52 HB2 SER 52 27.589 9.789 -5.464 409 HB3 SER 52 HB1 SER 52 27.574 10.176 -3.746 410 HG SER 52 HG SER 52 28.229 11.844 -5.934 411 H GLN 53 HN GLN 53 29.990 8.951 -2.174 412 HA GLN 53 HA GLN 53 31.081 11.309 -0.928 413 HB2 GLN 53 HB2 GLN 53 31.246 8.396 -0.037 414 HB3 GLN 53 HB1 GLN 53 31.633 9.793 0.966 415 HG2 GLN 53 HG2 GLN 53 29.290 10.515 0.892 416 HG3 GLN 53 HG1 GLN 53 28.893 9.174 -0.179 417 HE21 GLN 53 HE21 GLN 53 27.404 8.277 1.214 418 HE22 GLN 53 HE22 GLN 53 27.835 7.505 2.699 419 H LYS 54 HN LYS 54 32.372 8.509 -2.613 420 HA LYS 54 HA LYS 54 35.131 8.877 -1.881 421 HB2 LYS 54 HB2 LYS 54 34.027 7.271 -4.230 422 HB3 LYS 54 HB1 LYS 54 35.620 7.106 -3.485 423 HG2 LYS 54 HG2 LYS 54 32.934 6.403 -2.244 424 HG3 LYS 54 HG1 LYS 54 34.176 5.272 -2.796 425 HD2 LYS 54 HD2 LYS 54 35.709 6.099 -1.038 426 HD3 LYS 54 HD1 LYS 54 34.484 7.253 -0.500 427 HE2 LYS 54 HE2 LYS 54 32.988 5.332 0.071 428 HE3 LYS 54 HE1 LYS 54 34.281 4.222 -0.392 429 HZ1 LYS 54 HZ1 LYS 54 34.215 4.588 1.989 430 HZ2 LYS 54 HZ2 LYS 54 34.439 6.248 1.768 431 HZ3 LYS 54 HZ3 LYS 54 35.664 5.167 1.336 432 H1 ALA 1 HT1 ALA 1 16.135 11.980 -11.606 433 H2 ALA 1 HT2 ALA 1 15.295 11.019 -12.715 434 H3 ALA 1 HT3 ALA 1 16.785 11.694 -13.140 435 HA ALA 1 HA ALA 1 17.948 10.364 -11.598 436 HB1 ALA 1 HB1 ALA 1 16.785 8.669 -10.221 437 HB2 ALA 1 HB2 ALA 1 15.227 9.258 -10.814 438 HB3 ALA 1 HB3 ALA 1 16.249 10.302 -9.825 439 H ARG 2 HN ARG 2 18.861 8.544 -12.450 440 HA ARG 2 HA ARG 2 17.788 7.197 -14.747 441 HB2 ARG 2 HB2 ARG 2 19.770 5.753 -14.578 442 HB3 ARG 2 HB1 ARG 2 20.241 7.434 -14.360 443 HG2 ARG 2 HG2 ARG 2 20.269 7.029 -11.869 444 HG3 ARG 2 HG1 ARG 2 19.963 5.323 -12.191 445 HD2 ARG 2 HD2 ARG 2 22.350 5.682 -11.811 446 HD3 ARG 2 HD1 ARG 2 22.073 5.198 -13.491 447 HE ARG 2 HE ARG 2 22.321 8.058 -12.811 448 HH11 ARG 2 HH11 ARG 2 23.607 5.274 -14.523 449 HH12 ARG 2 HH12 ARG 2 24.803 6.206 -15.360 450 HH21 ARG 2 HH21 ARG 2 23.884 9.259 -13.931 451 HH22 ARG 2 HH22 ARG 2 24.956 8.459 -15.034 452 H THR 3 HN THR 3 17.442 6.891 -11.356 453 HA THR 3 HA THR 3 17.104 4.053 -11.137 454 HB THR 3 HB THR 3 16.508 4.542 -8.760 455 HG1 THR 3 HG1 THR 3 16.723 6.878 -8.179 456 HG21 THR 3 HG21 THR 3 18.656 5.550 -8.101 457 HG22 THR 3 HG22 THR 3 18.917 6.129 -9.742 458 HG23 THR 3 HG23 THR 3 18.900 4.395 -9.409 459 H LYS 4 HN LYS 4 15.289 2.904 -10.797 460 HA LYS 4 HA LYS 4 12.613 4.159 -11.169 461 HB2 LYS 4 HB2 LYS 4 11.949 2.017 -12.262 462 HB3 LYS 4 HB1 LYS 4 13.252 2.814 -13.137 463 HG2 LYS 4 HG2 LYS 4 14.896 1.261 -12.144 464 HG3 LYS 4 HG1 LYS 4 13.609 0.472 -11.225 465 HD2 LYS 4 HD2 LYS 4 12.554 -0.284 -13.307 466 HD3 LYS 4 HD1 LYS 4 13.760 0.583 -14.264 467 HE2 LYS 4 HE2 LYS 4 15.531 -0.885 -13.346 468 HE3 LYS 4 HE1 LYS 4 14.325 -1.752 -12.393 469 HZ1 LYS 4 HZ1 LYS 4 14.399 -1.591 -15.353 470 HZ2 LYS 4 HZ2 LYS 4 13.259 -2.438 -14.441 471 HZ3 LYS 4 HZ3 LYS 4 14.880 -2.921 -14.425 472 H GLN 5 HN GLN 5 14.633 2.731 -8.963 473 HA GLN 5 HA GLN 5 13.023 0.558 -8.018 474 HB2 GLN 5 HB2 GLN 5 15.659 0.887 -8.019 475 HB3 GLN 5 HB1 GLN 5 15.372 1.661 -6.470 476 HG2 GLN 5 HG2 GLN 5 15.922 -0.588 -5.990 477 HG3 GLN 5 HG1 GLN 5 14.181 -0.463 -5.745 478 HE21 GLN 5 HE21 GLN 5 15.805 -0.741 -8.887 479 HE22 GLN 5 HE22 GLN 5 15.214 -2.316 -9.259 480 H THR 6 HN THR 6 12.359 0.332 -5.754 481 HA THR 6 HA THR 6 10.802 2.735 -5.008 482 HB THR 6 HB THR 6 10.023 -0.148 -4.404 483 HG1 THR 6 HG1 THR 6 10.457 -0.020 -6.658 484 HG21 THR 6 HG21 THR 6 7.721 0.703 -4.573 485 HG22 THR 6 HG22 THR 6 8.331 2.306 -4.991 486 HG23 THR 6 HG23 THR 6 8.637 1.640 -3.387 487 H ALA 7 HN ALA 7 10.060 2.724 -2.635 488 HA ALA 7 HA ALA 7 11.503 1.097 -0.713 489 HB1 ALA 7 HB1 ALA 7 12.395 2.992 0.595 490 HB2 ALA 7 HB2 ALA 7 11.839 4.125 -0.642 491 HB3 ALA 7 HB3 ALA 7 13.104 2.954 -1.020 492 H ARG 8 HN ARG 8 10.381 0.940 1.233 493 HA ARG 8 HA ARG 8 7.651 1.999 1.276 494 HB2 ARG 8 HB2 ARG 8 7.709 -0.326 1.819 495 HB3 ARG 8 HB1 ARG 8 9.097 -0.131 2.880 496 HG2 ARG 8 HG2 ARG 8 7.684 1.032 4.541 497 HG3 ARG 8 HG1 ARG 8 6.286 0.865 3.476 498 HD2 ARG 8 HD2 ARG 8 7.847 -1.498 4.582 499 HD3 ARG 8 HD1 ARG 8 6.435 -0.804 5.381 500 HE ARG 8 HE ARG 8 5.257 -1.299 3.170 501 HH11 ARG 8 HH11 ARG 8 7.891 -3.337 4.332 502 HH12 ARG 8 HH12 ARG 8 7.175 -4.786 3.703 503 HH21 ARG 8 HH21 ARG 8 4.342 -3.199 2.392 504 HH22 ARG 8 HH22 ARG 8 5.162 -4.714 2.619 505 H M3L 9 HN M3L 9 6.838 3.362 2.872 506 HA M3L 9 HA M3L 9 8.739 4.995 4.349 507 HB2 M3L 9 HB2 M3L 9 5.707 5.235 4.091 508 HB3 M3L 9 HB1 M3L 9 6.773 6.428 4.839 509 HG2 M3L 9 HG2 M3L 9 7.929 6.678 2.604 510 HG3 M3L 9 HG1 M3L 9 6.695 5.619 1.905 511 HD2 M3L 9 HD2 M3L 9 4.941 7.267 2.578 512 HD3 M3L 9 HD1 M3L 9 6.202 8.323 3.236 513 HE2 M3L 9 HE2 M3L 9 7.226 8.450 0.959 514 HE3 M3L 9 HE1 M3L 9 5.906 7.463 0.335 515 HM11 M3L 9 HH33 M3L 9 6.864 10.795 1.636 516 HM12 M3L 9 HH31 M3L 9 5.644 10.299 2.820 517 HM13 M3L 9 HH32 M3L 9 5.249 11.510 1.593 518 HM21 M3L 9 HH11 M3L 9 4.954 10.843 -0.797 519 HM22 M3L 9 HH12 M3L 9 5.221 9.170 -1.302 520 HM23 M3L 9 HH13 M3L 9 6.586 10.171 -0.789 521 HM31 M3L 9 HH21 M3L 9 3.502 8.429 0.394 522 HM32 M3L 9 HH22 M3L 9 3.265 10.108 0.881 523 HM33 M3L 9 HH23 M3L 9 3.679 8.891 2.091 524 H SER 10 HN SER 10 9.116 4.855 6.463 525 HA SER 10 HA SER 10 8.101 2.643 8.005 526 HB2 SER 10 HB2 SER 10 9.894 4.965 8.857 527 HB3 SER 10 HB1 SER 10 9.600 3.492 9.784 528 HG SER 10 HG SER 10 10.855 3.691 7.244 529 H THR 11 HN THR 11 5.874 3.047 8.139 530 HA THR 11 HA THR 11 5.011 5.253 9.919 531 HB THR 11 HB THR 11 3.425 4.050 7.598 532 HG1 THR 11 HG1 THR 11 5.374 5.690 7.371 533 HG21 THR 11 HG21 THR 11 2.803 6.410 9.412 534 HG22 THR 11 HG22 THR 11 1.959 4.860 9.411 535 HG23 THR 11 HG23 THR 11 1.846 5.929 8.009 536 H GLY 12 HN GLY 12 4.766 4.216 11.831 537 HA2 GLY 12 HA2 GLY 12 2.574 2.457 12.275 538 HA3 GLY 12 HA1 GLY 12 4.088 1.552 12.332 539 H GLY 13 HN GLY 13 5.831 3.240 13.484 540 HA2 GLY 13 HA2 GLY 13 6.578 4.107 15.457 541 HA3 GLY 13 HA1 GLY 13 4.931 4.601 15.813 542 H LYS 14 HN LYS 14 3.613 3.257 17.037 543 HA LYS 14 HA LYS 14 4.895 1.304 18.743 544 HB2 LYS 14 HB2 LYS 14 2.675 1.187 19.892 545 HB3 LYS 14 HB1 LYS 14 3.318 2.812 19.790 546 HG2 LYS 14 HG2 LYS 14 1.073 3.176 19.324 547 HG3 LYS 14 HG1 LYS 14 1.755 3.064 17.700 548 HD2 LYS 14 HD2 LYS 14 1.017 0.656 17.625 549 HD3 LYS 14 HD1 LYS 14 0.247 0.878 19.200 550 HE2 LYS 14 HE2 LYS 14 -0.446 2.413 16.666 551 HE3 LYS 14 HE1 LYS 14 -1.361 1.050 17.312 552 HZ1 LYS 14 HZ1 LYS 14 -2.357 3.162 17.903 553 HZ2 LYS 14 HZ2 LYS 14 -0.934 3.654 18.675 554 HZ3 LYS 14 HZ3 LYS 14 -1.828 2.354 19.288 555 H ALA 15 HN ALA 15 4.172 -0.850 19.013 556 HA ALA 15 HA ALA 15 2.671 -2.091 16.789 557 HB1 ALA 15 HB1 ALA 15 5.081 -2.553 16.471 558 HB2 ALA 15 HB2 ALA 15 4.204 -4.033 16.866 559 HB3 ALA 15 HB3 ALA 15 5.180 -3.230 18.099 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 8.209 -2.626 -2.358 2 H2 GLY 1 HT2 GLY 1 9.863 -2.291 -2.301 3 H3 GLY 1 HT3 GLY 1 8.965 -1.898 -3.679 4 HA2 GLY 1 HA1 GLY 1 8.578 -0.714 -0.995 5 HA3 GLY 1 HA2 GLY 1 9.468 0.048 -2.303 6 H GLU 2 HN GLU 2 7.431 1.424 -1.216 7 HA GLU 2 HA GLU 2 5.000 0.981 -2.833 8 HB2 GLU 2 HB2 GLU 2 5.393 2.739 -0.379 9 HB3 GLU 2 HB1 GLU 2 3.860 2.404 -1.183 10 HG2 GLU 2 HG2 GLU 2 5.590 0.468 0.394 11 HG3 GLU 2 HG1 GLU 2 3.986 1.070 0.813 12 H PHE 3 HN PHE 3 7.577 3.279 -2.287 13 HA PHE 3 HA PHE 3 6.425 5.138 -4.282 14 HB2 PHE 3 HB2 PHE 3 7.885 5.969 -1.732 15 HB3 PHE 3 HB1 PHE 3 7.188 7.049 -2.935 16 HD1 PHE 3 HD1 PHE 3 4.676 7.098 -3.227 17 HD2 PHE 3 HD2 PHE 3 6.534 5.113 0.066 18 HE1 PHE 3 HE1 PHE 3 2.554 7.126 -2.005 19 HE2 PHE 3 HE2 PHE 3 4.396 5.148 1.281 20 HZ PHE 3 HZ PHE 3 2.406 6.147 0.241 21 H VAL 4 HN VAL 4 7.846 5.920 -5.762 22 HA VAL 4 HA VAL 4 10.476 4.717 -5.900 23 HB VAL 4 HB VAL 4 9.211 4.833 -7.972 24 HG11 VAL 4 HG11 VAL 4 9.292 7.864 -7.792 25 HG12 VAL 4 HG12 VAL 4 7.858 6.849 -7.619 26 HG13 VAL 4 HG13 VAL 4 8.701 6.926 -9.168 27 HG21 VAL 4 HG21 VAL 4 10.937 5.794 -9.470 28 HG22 VAL 4 HG22 VAL 4 11.662 4.870 -8.152 29 HG23 VAL 4 HG23 VAL 4 11.659 6.635 -8.095 30 H VAL 5 HN VAL 5 11.980 5.541 -4.646 31 HA VAL 5 HA VAL 5 12.404 8.386 -4.303 32 HB VAL 5 HB VAL 5 13.061 7.186 -2.384 33 HG11 VAL 5 HG11 VAL 5 14.528 5.231 -2.279 34 HG12 VAL 5 HG12 VAL 5 14.722 5.258 -4.039 35 HG13 VAL 5 HG13 VAL 5 13.143 4.912 -3.330 36 HG21 VAL 5 HG21 VAL 5 15.499 7.552 -2.121 37 HG22 VAL 5 HG22 VAL 5 14.722 8.905 -2.945 38 HG23 VAL 5 HG23 VAL 5 15.657 7.731 -3.872 39 H GLU 6 HN GLU 6 13.608 9.645 -5.587 40 HA GLU 6 HA GLU 6 14.836 8.716 -7.996 41 HB2 GLU 6 HB2 GLU 6 13.768 10.956 -7.834 42 HB3 GLU 6 HB1 GLU 6 14.970 11.444 -6.650 43 HG2 GLU 6 HG2 GLU 6 16.746 11.189 -8.374 44 HG3 GLU 6 HG1 GLU 6 15.517 10.742 -9.557 45 H LYS 7 HN LYS 7 16.044 10.044 -4.900 46 HA LYS 7 HA LYS 7 18.606 8.754 -5.159 47 HB2 LYS 7 HB2 LYS 7 19.964 10.861 -5.261 48 HB3 LYS 7 HB1 LYS 7 19.013 10.604 -6.721 49 HG2 LYS 7 HG2 LYS 7 17.348 12.235 -5.936 50 HG3 LYS 7 HG1 LYS 7 18.283 12.493 -4.460 51 HD2 LYS 7 HD2 LYS 7 19.399 13.015 -7.240 52 HD3 LYS 7 HD1 LYS 7 18.537 14.237 -6.310 53 HE2 LYS 7 HE2 LYS 7 20.910 14.590 -6.041 54 HE3 LYS 7 HE1 LYS 7 20.259 14.023 -4.509 55 HZ1 LYS 7 HZ1 LYS 7 21.167 11.865 -4.918 56 HZ2 LYS 7 HZ2 LYS 7 22.394 13.012 -5.128 57 HZ3 LYS 7 HZ3 LYS 7 21.659 12.297 -6.473 58 H VAL 8 HN VAL 8 20.001 9.187 -3.358 59 HA VAL 8 HA VAL 8 18.624 9.910 -0.881 60 HB VAL 8 HB VAL 8 21.479 8.907 -1.287 61 HG11 VAL 8 HG11 VAL 8 19.837 9.076 1.271 62 HG12 VAL 8 HG12 VAL 8 21.165 10.156 0.833 63 HG13 VAL 8 HG13 VAL 8 21.479 8.448 1.121 64 HG21 VAL 8 HG21 VAL 8 19.859 7.188 -2.026 65 HG22 VAL 8 HG22 VAL 8 19.028 7.294 -0.474 66 HG23 VAL 8 HG23 VAL 8 20.682 6.686 -0.545 67 H LEU 9 HN LEU 9 19.226 11.655 0.348 68 HA LEU 9 HA LEU 9 20.761 13.787 -0.988 69 HB2 LEU 9 HB2 LEU 9 18.599 13.976 1.148 70 HB3 LEU 9 HB1 LEU 9 19.411 15.340 0.383 71 HG LEU 9 HG LEU 9 17.650 13.330 -1.094 72 HD11 LEU 9 HD11 LEU 9 16.976 16.153 -0.218 73 HD12 LEU 9 HD12 LEU 9 16.298 14.658 0.431 74 HD13 LEU 9 HD13 LEU 9 15.975 15.113 -1.239 75 HD21 LEU 9 HD21 LEU 9 19.365 14.297 -2.552 76 HD22 LEU 9 HD22 LEU 9 18.892 15.930 -2.072 77 HD23 LEU 9 HD23 LEU 9 17.770 14.913 -2.981 78 H ASP 10 HN ASP 10 20.145 12.243 2.182 79 HA ASP 10 HA ASP 10 22.820 12.995 3.121 80 HB2 ASP 10 HB2 ASP 10 21.122 14.846 3.764 81 HB3 ASP 10 HB1 ASP 10 20.379 13.665 4.837 82 H ARG 11 HN ARG 11 23.260 11.917 5.273 83 HA ARG 11 HA ARG 11 21.894 9.322 5.627 84 HB2 ARG 11 HB2 ARG 11 23.766 8.994 4.046 85 HB3 ARG 11 HB1 ARG 11 24.876 9.762 5.174 86 HG2 ARG 11 HG2 ARG 11 24.489 7.870 6.772 87 HG3 ARG 11 HG1 ARG 11 23.473 7.086 5.550 88 HD2 ARG 11 HD2 ARG 11 25.432 7.154 3.980 89 HD3 ARG 11 HD1 ARG 11 26.419 7.789 5.303 90 HE ARG 11 HE ARG 11 25.070 5.211 5.683 91 HH11 ARG 11 HH11 ARG 11 28.090 6.927 5.132 92 HH12 ARG 11 HH12 ARG 11 29.067 5.525 5.418 93 HH21 ARG 11 HH21 ARG 11 26.383 3.390 6.024 94 HH22 ARG 11 HH22 ARG 11 28.106 3.528 5.917 95 H ARG 12 HN ARG 12 21.561 9.001 7.761 96 HA ARG 12 HA ARG 12 23.417 10.132 9.772 97 HB2 ARG 12 HB2 ARG 12 21.607 10.736 11.219 98 HB3 ARG 12 HB1 ARG 12 21.165 11.356 9.631 99 HG2 ARG 12 HG2 ARG 12 19.705 9.337 9.312 100 HG3 ARG 12 HG1 ARG 12 20.073 8.855 10.972 101 HD2 ARG 12 HD2 ARG 12 18.626 11.369 10.069 102 HD3 ARG 12 HD1 ARG 12 17.925 9.986 10.912 103 HE ARG 12 HE ARG 12 19.923 10.942 12.556 104 HH11 ARG 12 HH11 ARG 12 16.905 12.180 11.276 105 HH12 ARG 12 HH12 ARG 12 16.664 13.284 12.588 106 HH21 ARG 12 HH21 ARG 12 19.600 12.381 14.262 107 HH22 ARG 12 HH22 ARG 12 18.198 13.401 14.280 108 H VAL 13 HN VAL 13 23.389 8.933 11.839 109 HA VAL 13 HA VAL 13 22.439 6.125 11.658 110 HB VAL 13 HB VAL 13 25.038 7.074 12.961 111 HG11 VAL 13 HG11 VAL 13 25.444 4.668 13.497 112 HG12 VAL 13 HG12 VAL 13 23.829 4.272 12.900 113 HG13 VAL 13 HG13 VAL 13 24.016 5.291 14.329 114 HG21 VAL 13 HG21 VAL 13 24.607 5.257 10.558 115 HG22 VAL 13 HG22 VAL 13 26.169 5.620 11.299 116 HG23 VAL 13 HG23 VAL 13 25.247 6.904 10.512 117 H VAL 14 HN VAL 14 20.869 5.845 13.077 118 HA VAL 14 HA VAL 14 20.888 7.222 15.705 119 HB VAL 14 HB VAL 14 18.443 6.531 14.003 120 HG11 VAL 14 HG11 VAL 14 17.103 7.677 15.752 121 HG12 VAL 14 HG12 VAL 14 18.558 7.878 16.731 122 HG13 VAL 14 HG13 VAL 14 17.937 6.259 16.397 123 HG21 VAL 14 HG21 VAL 14 19.584 9.258 14.715 124 HG22 VAL 14 HG22 VAL 14 18.089 8.973 13.819 125 HG23 VAL 14 HG23 VAL 14 19.641 8.496 13.124 126 H ASN 15 HN ASN 15 21.204 5.791 17.268 127 HA ASN 15 HA ASN 15 21.095 4.004 18.647 128 HB2 ASN 15 HB2 ASN 15 18.558 3.368 17.081 129 HB3 ASN 15 HB1 ASN 15 19.002 2.614 18.614 130 HD21 ASN 15 HD21 ASN 15 16.692 4.353 17.798 131 HD22 ASN 15 HD22 ASN 15 16.666 5.609 18.978 132 H GLY 16 HN GLY 16 22.676 3.788 16.292 133 HA2 GLY 16 HA2 GLY 16 24.144 2.083 15.583 134 HA3 GLY 16 HA1 GLY 16 22.979 0.872 16.093 135 H LYS 17 HN LYS 17 20.817 2.402 14.601 136 HA LYS 17 HA LYS 17 21.057 0.946 12.116 137 HB2 LYS 17 HB2 LYS 17 18.835 0.766 12.610 138 HB3 LYS 17 HB1 LYS 17 18.904 2.087 13.762 139 HG2 LYS 17 HG2 LYS 17 18.656 3.701 11.917 140 HG3 LYS 17 HG1 LYS 17 18.524 2.364 10.767 141 HD2 LYS 17 HD2 LYS 17 16.299 3.271 11.378 142 HD3 LYS 17 HD1 LYS 17 16.472 1.583 11.879 143 HE2 LYS 17 HE2 LYS 17 15.392 2.950 13.622 144 HE3 LYS 17 HE1 LYS 17 16.934 2.296 14.170 145 HZ1 LYS 17 HZ1 LYS 17 17.955 4.439 13.769 146 HZ2 LYS 17 HZ2 LYS 17 16.635 4.609 14.808 147 HZ3 LYS 17 HZ3 LYS 17 16.489 5.063 13.190 148 H VAL 18 HN VAL 18 20.749 1.953 10.051 149 HA VAL 18 HA VAL 18 21.979 4.653 9.874 150 HB VAL 18 HB VAL 18 22.311 2.375 7.857 151 HG11 VAL 18 HG11 VAL 18 23.637 5.120 7.980 152 HG12 VAL 18 HG12 VAL 18 22.437 4.595 6.795 153 HG13 VAL 18 HG13 VAL 18 24.034 3.845 6.819 154 HG21 VAL 18 HG21 VAL 18 24.655 2.211 8.652 155 HG22 VAL 18 HG22 VAL 18 23.518 1.852 9.954 156 HG23 VAL 18 HG23 VAL 18 24.322 3.421 9.896 157 H GLU 19 HN GLU 19 20.514 6.076 9.208 158 HA GLU 19 HA GLU 19 18.322 5.294 7.399 159 HB2 GLU 19 HB2 GLU 19 18.516 7.660 9.302 160 HB3 GLU 19 HB1 GLU 19 17.147 7.310 8.247 161 HG2 GLU 19 HG2 GLU 19 16.723 5.219 9.450 162 HG3 GLU 19 HG1 GLU 19 18.125 5.499 10.481 163 H TYR 20 HN TYR 20 17.720 6.746 5.737 164 HA TYR 20 HA TYR 20 19.817 8.557 4.727 165 HB2 TYR 20 HB2 TYR 20 18.361 6.362 3.165 166 HB3 TYR 20 HB1 TYR 20 19.350 7.605 2.421 167 HD1 TYR 20 HD2 TYR 20 19.459 4.549 4.540 168 HD2 TYR 20 HD1 TYR 20 21.797 7.461 2.474 169 HE1 TYR 20 HE2 TYR 20 21.465 3.167 4.826 170 HE2 TYR 20 HE1 TYR 20 23.788 6.066 2.747 171 HH TYR 20 HH TYR 20 23.621 2.821 3.854 172 H PHE 21 HN PHE 21 18.934 10.518 4.186 173 HA PHE 21 HA PHE 21 16.085 10.975 4.238 174 HB2 PHE 21 HB2 PHE 21 17.883 12.595 5.081 175 HB3 PHE 21 HB1 PHE 21 18.286 12.922 3.402 176 HD1 PHE 21 HD2 PHE 21 15.247 12.809 5.615 177 HD2 PHE 21 HD1 PHE 21 17.321 14.854 2.484 178 HE1 PHE 21 HE2 PHE 21 13.517 14.550 5.605 179 HE2 PHE 21 HE1 PHE 21 15.586 16.591 2.481 180 HZ PHE 21 HZ PHE 21 13.683 16.445 4.040 181 H LEU 22 HN LEU 22 14.887 10.386 2.513 182 HA LEU 22 HA LEU 22 16.187 9.963 -0.079 183 HB2 LEU 22 HB2 LEU 22 13.527 8.981 1.012 184 HB3 LEU 22 HB1 LEU 22 14.169 8.588 -0.577 185 HG LEU 22 HG LEU 22 15.223 7.686 2.128 186 HD11 LEU 22 HD11 LEU 22 13.355 6.408 1.251 187 HD12 LEU 22 HD12 LEU 22 14.828 5.448 1.211 188 HD13 LEU 22 HD13 LEU 22 14.200 6.154 -0.281 189 HD21 LEU 22 HD21 LEU 22 17.041 6.512 0.940 190 HD22 LEU 22 HD22 LEU 22 17.186 8.261 0.800 191 HD23 LEU 22 HD23 LEU 22 16.582 7.317 -0.566 192 H LYS 23 HN LYS 23 15.920 11.467 -1.620 193 HA LYS 23 HA LYS 23 13.645 13.196 -1.850 194 HB2 LYS 23 HB2 LYS 23 15.678 14.000 -2.869 195 HB3 LYS 23 HB1 LYS 23 15.917 12.502 -3.756 196 HG2 LYS 23 HG2 LYS 23 15.196 14.426 -5.186 197 HG3 LYS 23 HG1 LYS 23 14.132 13.020 -5.283 198 HD2 LYS 23 HD2 LYS 23 12.598 14.177 -3.626 199 HD3 LYS 23 HD1 LYS 23 13.614 15.615 -3.761 200 HE2 LYS 23 HE2 LYS 23 13.071 15.797 -6.145 201 HE3 LYS 23 HE1 LYS 23 12.150 14.289 -6.077 202 HZ1 LYS 23 HZ1 LYS 23 11.504 16.770 -4.580 203 HZ2 LYS 23 HZ2 LYS 23 10.606 15.332 -4.558 204 HZ3 LYS 23 HZ3 LYS 23 10.725 16.240 -5.981 205 H TRP 24 HN TRP 24 11.728 12.201 -2.055 206 HA TRP 24 HA TRP 24 11.264 9.893 -3.727 207 HB2 TRP 24 HB2 TRP 24 9.239 11.774 -2.426 208 HB3 TRP 24 HB1 TRP 24 8.910 10.175 -3.087 209 HD1 TRP 24 HD1 TRP 24 9.916 11.869 0.084 210 HE1 TRP 24 HE1 TRP 24 10.424 10.136 1.903 211 HE3 TRP 24 HE3 TRP 24 10.100 7.656 -2.813 212 HZ2 TRP 24 HZ2 TRP 24 10.844 7.374 2.106 213 HZ3 TRP 24 HZ3 TRP 24 10.564 5.499 -1.719 214 HH2 TRP 24 HH2 TRP 24 10.933 5.360 0.694 215 H LYS 25 HN LYS 25 11.032 9.994 -5.876 216 HA LYS 25 HA LYS 25 11.474 12.373 -7.300 217 HB2 LYS 25 HB2 LYS 25 12.178 10.115 -8.062 218 HB3 LYS 25 HB1 LYS 25 10.494 9.694 -8.354 219 HG2 LYS 25 HG2 LYS 25 10.336 11.377 -10.121 220 HG3 LYS 25 HG1 LYS 25 11.971 11.939 -9.773 221 HD2 LYS 25 HD2 LYS 25 11.930 10.510 -11.778 222 HD3 LYS 25 HD1 LYS 25 12.900 9.786 -10.496 223 HE2 LYS 25 HE2 LYS 25 11.130 8.204 -9.976 224 HE3 LYS 25 HE1 LYS 25 10.021 9.009 -11.087 225 HZ1 LYS 25 HZ1 LYS 25 11.292 8.308 -12.926 226 HZ2 LYS 25 HZ2 LYS 25 11.062 6.945 -11.958 227 HZ3 LYS 25 HZ3 LYS 25 12.557 7.738 -11.959 228 H GLY 26 HN GLY 26 8.492 10.521 -6.747 229 HA2 GLY 26 HA2 GLY 26 6.887 12.155 -8.560 230 HA3 GLY 26 HA1 GLY 26 6.337 10.805 -7.590 231 H PHE 27 HN PHE 27 8.038 12.985 -5.635 232 HA PHE 27 HA PHE 27 5.573 14.365 -4.729 233 HB2 PHE 27 HB2 PHE 27 7.551 12.837 -2.967 234 HB3 PHE 27 HB1 PHE 27 6.273 13.880 -2.352 235 HD1 PHE 27 HD1 PHE 27 6.974 10.666 -4.051 236 HD2 PHE 27 HD2 PHE 27 3.957 13.157 -2.325 237 HE1 PHE 27 HE1 PHE 27 5.394 8.793 -4.088 238 HE2 PHE 27 HE2 PHE 27 2.386 11.269 -2.364 239 HZ PHE 27 HZ PHE 27 3.099 9.089 -3.251 240 H THR 28 HN THR 28 6.091 16.037 -3.035 241 HA THR 28 HA THR 28 8.004 17.899 -4.057 242 HB THR 28 HB THR 28 7.226 19.364 -2.171 243 HG1 THR 28 HG1 THR 28 5.503 18.523 -0.846 244 HG21 THR 28 HG21 THR 28 4.940 18.017 -3.675 245 HG22 THR 28 HG22 THR 28 5.923 19.354 -4.280 246 HG23 THR 28 HG23 THR 28 4.877 19.594 -2.883 247 H ASP 29 HN ASP 29 9.617 19.014 -2.678 248 HA ASP 29 HA ASP 29 11.478 17.119 -1.615 249 HB2 ASP 29 HB2 ASP 29 11.624 20.155 -1.650 250 HB3 ASP 29 HB1 ASP 29 12.974 19.059 -1.349 251 H ALA 30 HN ALA 30 9.231 19.432 -0.244 252 HA ALA 30 HA ALA 30 10.149 19.324 2.464 253 HB1 ALA 30 HB1 ALA 30 8.717 21.145 1.636 254 HB2 ALA 30 HB2 ALA 30 7.966 20.343 3.016 255 HB3 ALA 30 HB3 ALA 30 7.391 20.009 1.381 256 H ASP 31 HN ASP 31 8.332 17.135 0.492 257 HA ASP 31 HA ASP 31 7.157 15.660 2.742 258 HB2 ASP 31 HB2 ASP 31 5.916 16.229 0.552 259 HB3 ASP 31 HB1 ASP 31 6.925 15.014 -0.223 260 H ASN 32 HN ASN 32 10.127 15.700 1.180 261 HA ASN 32 HA ASN 32 10.815 12.955 1.027 262 HB2 ASN 32 HB2 ASN 32 12.580 15.379 1.567 263 HB3 ASN 32 HB1 ASN 32 13.194 13.766 1.204 264 HD21 ASN 32 HD21 ASN 32 13.786 16.065 -0.283 265 HD22 ASN 32 HD22 ASN 32 13.130 15.887 -1.867 266 H THR 33 HN THR 33 11.766 11.538 2.551 267 HA THR 33 HA THR 33 11.561 12.341 5.412 268 HB THR 33 HB THR 33 10.461 10.090 5.865 269 HG1 THR 33 HG1 THR 33 10.303 8.752 4.256 270 HG21 THR 33 HG21 THR 33 8.870 11.943 4.063 271 HG22 THR 33 HG22 THR 33 9.085 12.141 5.802 272 HG23 THR 33 HG23 THR 33 8.190 10.752 5.177 273 H TRP 34 HN TRP 34 12.764 11.073 6.902 274 HA TRP 34 HA TRP 34 15.169 9.769 5.973 275 HB2 TRP 34 HB2 TRP 34 13.959 10.024 8.762 276 HB3 TRP 34 HB1 TRP 34 15.515 9.270 8.431 277 HD1 TRP 34 HD1 TRP 34 13.917 12.641 8.975 278 HE1 TRP 34 HE1 TRP 34 15.731 14.448 8.885 279 HE3 TRP 34 HE3 TRP 34 17.770 9.830 7.142 280 HZ2 TRP 34 HZ2 TRP 34 18.431 14.673 8.125 281 HZ3 TRP 34 HZ3 TRP 34 19.943 10.916 6.750 282 HH2 TRP 34 HH2 TRP 34 20.260 13.293 7.238 283 H GLU 35 HN GLU 35 15.035 7.769 5.143 284 HA GLU 35 HA GLU 35 13.377 5.749 6.519 285 HB2 GLU 35 HB2 GLU 35 14.056 5.952 3.578 286 HB3 GLU 35 HB1 GLU 35 13.267 4.559 4.308 287 HG2 GLU 35 HG2 GLU 35 12.171 7.343 3.892 288 HG3 GLU 35 HG1 GLU 35 11.565 5.817 3.266 289 HA PRO 36 HA PRO 36 17.388 3.821 7.221 290 HB2 PRO 36 HB2 PRO 36 16.539 1.523 8.408 291 HB3 PRO 36 HB1 PRO 36 16.482 3.091 9.225 292 HG2 PRO 36 HG2 PRO 36 14.261 1.611 7.817 293 HG3 PRO 36 HG1 PRO 36 14.239 2.435 9.391 294 HD2 PRO 36 HD2 PRO 36 13.275 3.599 7.113 295 HD3 PRO 36 HD1 PRO 36 13.995 4.547 8.433 296 H GLU 37 HN GLU 37 18.662 2.204 6.322 297 HA GLU 37 HA GLU 37 18.121 1.529 3.658 298 HB2 GLU 37 HB2 GLU 37 20.255 0.273 3.748 299 HB3 GLU 37 HB1 GLU 37 20.381 1.866 4.462 300 HG2 GLU 37 HG2 GLU 37 20.376 0.962 6.693 301 HG3 GLU 37 HG1 GLU 37 19.987 -0.650 6.097 302 H GLU 38 HN GLU 38 17.472 -0.240 6.567 303 HA GLU 38 HA GLU 38 17.111 -2.863 5.545 304 HB2 GLU 38 HB2 GLU 38 15.782 -3.225 7.646 305 HB3 GLU 38 HB1 GLU 38 17.342 -2.458 7.943 306 HG2 GLU 38 HG2 GLU 38 16.310 -0.289 8.215 307 HG3 GLU 38 HG1 GLU 38 14.744 -0.915 7.713 308 H ASN 39 HN ASN 39 15.051 -0.039 5.672 309 HA ASN 39 HA ASN 39 12.576 -1.396 5.047 310 HB2 ASN 39 HB2 ASN 39 12.751 0.593 6.587 311 HB3 ASN 39 HB1 ASN 39 13.244 1.579 5.219 312 HD21 ASN 39 HD21 ASN 39 11.484 2.972 5.366 313 HD22 ASN 39 HD22 ASN 39 9.875 2.477 5.005 314 H LEU 40 HN LEU 40 15.172 0.117 3.335 315 HA LEU 40 HA LEU 40 13.677 0.684 0.895 316 HB2 LEU 40 HB2 LEU 40 16.710 0.736 1.111 317 HB3 LEU 40 HB1 LEU 40 15.665 1.686 0.061 318 HG LEU 40 HG LEU 40 16.208 2.079 3.021 319 HD11 LEU 40 HD11 LEU 40 17.896 3.038 1.552 320 HD12 LEU 40 HD12 LEU 40 16.987 4.307 2.364 321 HD13 LEU 40 HD13 LEU 40 16.660 3.939 0.667 322 HD21 LEU 40 HD21 LEU 40 14.626 3.920 3.041 323 HD22 LEU 40 HD22 LEU 40 13.817 2.399 2.704 324 HD23 LEU 40 HD23 LEU 40 14.122 3.545 1.396 325 H ASP 41 HN ASP 41 13.785 -0.561 -1.009 326 HA ASP 41 HA ASP 41 15.358 -3.107 -0.819 327 HB2 ASP 41 HB2 ASP 41 13.794 -4.035 -2.516 328 HB3 ASP 41 HB1 ASP 41 12.971 -3.579 -1.029 329 H CYS 42 HN CYS 42 16.260 -0.436 -1.457 330 HA CYS 42 HA CYS 42 17.095 -0.701 -4.279 331 HB2 CYS 42 HB2 CYS 42 15.598 1.225 -3.898 332 HB3 CYS 42 HB1 CYS 42 16.696 1.840 -2.661 333 HG CYS 42 HG CYS 42 16.683 2.903 -5.554 334 HA PRO 43 HA PRO 43 21.148 -0.856 -2.038 335 HB2 PRO 43 HB2 PRO 43 21.889 -2.624 -4.305 336 HB3 PRO 43 HB1 PRO 43 22.014 -2.924 -2.568 337 HG2 PRO 43 HG2 PRO 43 20.203 -4.216 -4.099 338 HG3 PRO 43 HG1 PRO 43 19.855 -3.764 -2.415 339 HD2 PRO 43 HD2 PRO 43 19.008 -2.365 -4.964 340 HD3 PRO 43 HD1 PRO 43 18.044 -2.753 -3.514 341 H GLU 44 HN GLU 44 19.977 -0.254 -5.249 342 HA GLU 44 HA GLU 44 22.187 0.695 -6.629 343 HB2 GLU 44 HB2 GLU 44 20.026 0.248 -7.701 344 HB3 GLU 44 HB1 GLU 44 19.267 1.547 -6.792 345 HG2 GLU 44 HG2 GLU 44 19.638 2.260 -9.073 346 HG3 GLU 44 HG1 GLU 44 20.665 3.201 -7.991 347 H LEU 45 HN LEU 45 19.770 2.639 -4.839 348 HA LEU 45 HA LEU 45 21.245 5.081 -5.309 349 HB2 LEU 45 HB2 LEU 45 18.712 4.582 -3.710 350 HB3 LEU 45 HB1 LEU 45 19.375 6.172 -4.080 351 HG LEU 45 HG LEU 45 18.392 4.164 -6.154 352 HD11 LEU 45 HD11 LEU 45 16.515 5.695 -6.496 353 HD12 LEU 45 HD12 LEU 45 17.089 6.712 -5.171 354 HD13 LEU 45 HD13 LEU 45 16.550 5.061 -4.851 355 HD21 LEU 45 HD21 LEU 45 20.192 5.558 -7.051 356 HD22 LEU 45 HD22 LEU 45 19.356 7.022 -6.525 357 HD23 LEU 45 HD23 LEU 45 18.649 5.999 -7.780 358 H ILE 46 HN ILE 46 20.830 2.860 -2.599 359 HA ILE 46 HA ILE 46 21.964 4.475 -0.551 360 HB ILE 46 HB ILE 46 21.951 1.440 -0.895 361 HG12 ILE 46 HG12 ILE 46 20.218 3.206 0.898 362 HG13 ILE 46 HG11 ILE 46 19.698 2.531 -0.644 363 HG21 ILE 46 HG21 ILE 46 22.732 3.004 1.595 364 HG22 ILE 46 HG22 ILE 46 23.807 2.016 0.605 365 HG23 ILE 46 HG23 ILE 46 22.505 1.257 1.521 366 HD11 ILE 46 HD11 ILE 46 18.827 1.257 1.239 367 HD12 ILE 46 HD12 ILE 46 20.465 0.946 1.810 368 HD13 ILE 46 HD13 ILE 46 19.924 0.269 0.272 369 H GLU 47 HN GLU 47 23.443 2.000 -2.661 370 HA GLU 47 HA GLU 47 26.080 2.397 -1.655 371 HB2 GLU 47 HB2 GLU 47 25.374 0.226 -2.536 372 HB3 GLU 47 HB1 GLU 47 25.132 0.921 -4.134 373 HG2 GLU 47 HG2 GLU 47 27.534 1.334 -4.355 374 HG3 GLU 47 HG1 GLU 47 27.808 0.765 -2.710 375 H ALA 48 HN ALA 48 24.389 3.487 -4.600 376 HA ALA 48 HA ALA 48 26.677 4.554 -5.916 377 HB1 ALA 48 HB1 ALA 48 25.101 5.734 -7.398 378 HB2 ALA 48 HB2 ALA 48 23.774 5.365 -6.290 379 HB3 ALA 48 HB3 ALA 48 24.598 4.060 -7.144 380 H PHE 49 HN PHE 49 24.344 5.940 -3.634 381 HA PHE 49 HA PHE 49 25.181 8.638 -3.618 382 HB2 PHE 49 HB2 PHE 49 23.143 8.053 -2.488 383 HB3 PHE 49 HB1 PHE 49 23.947 6.856 -1.484 384 HD1 PHE 49 HD1 PHE 49 24.018 10.570 -2.157 385 HD2 PHE 49 HD2 PHE 49 24.435 7.437 0.731 386 HE1 PHE 49 HE1 PHE 49 24.250 12.238 -0.367 387 HE2 PHE 49 HE2 PHE 49 24.666 9.113 2.506 388 HZ PHE 49 HZ PHE 49 24.579 11.510 1.965 389 H LEU 50 HN LEU 50 26.336 5.827 -1.768 390 HA LEU 50 HA LEU 50 28.318 7.186 -0.236 391 HB2 LEU 50 HB2 LEU 50 28.241 4.246 -1.050 392 HB3 LEU 50 HB1 LEU 50 29.182 4.929 0.272 393 HG LEU 50 HG LEU 50 26.146 4.749 0.135 394 HD11 LEU 50 HD11 LEU 50 28.096 3.238 1.886 395 HD12 LEU 50 HD12 LEU 50 27.171 2.583 0.532 396 HD13 LEU 50 HD13 LEU 50 26.333 3.149 1.974 397 HD21 LEU 50 HD21 LEU 50 26.790 6.783 1.313 398 HD22 LEU 50 HD22 LEU 50 27.869 5.863 2.366 399 HD23 LEU 50 HD23 LEU 50 26.123 5.601 2.438 400 H ASN 51 HN ASN 51 28.313 5.551 -3.375 401 HA ASN 51 HA ASN 51 31.126 5.655 -3.886 402 HB2 ASN 51 HB2 ASN 51 28.767 5.180 -5.758 403 HB3 ASN 51 HB1 ASN 51 30.449 5.051 -6.263 404 HD21 ASN 51 HD21 ASN 51 28.496 2.980 -6.383 405 HD22 ASN 51 HD22 ASN 51 29.037 1.700 -5.359 406 H SER 52 HN SER 52 28.512 7.914 -4.292 407 HA SER 52 HA SER 52 29.806 9.706 -6.130 408 HB2 SER 52 HB2 SER 52 27.581 10.241 -4.104 409 HB3 SER 52 HB1 SER 52 28.063 11.331 -5.411 410 HG SER 52 HG SER 52 27.506 8.759 -6.232 411 H GLN 53 HN GLN 53 29.861 9.211 -2.651 412 HA GLN 53 HA GLN 53 31.199 11.677 -1.953 413 HB2 GLN 53 HB2 GLN 53 30.954 9.112 -0.329 414 HB3 GLN 53 HB1 GLN 53 31.347 10.717 0.293 415 HG2 GLN 53 HG2 GLN 53 29.086 11.499 -0.296 416 HG3 GLN 53 HG1 GLN 53 28.697 9.907 -0.949 417 HE21 GLN 53 HE21 GLN 53 27.062 9.396 0.468 418 HE22 GLN 53 HE22 GLN 53 27.293 9.186 2.170 419 H LYS 54 HN LYS 54 32.134 8.414 -2.825 420 HA LYS 54 HA LYS 54 34.925 8.780 -2.004 421 HB2 LYS 54 HB2 LYS 54 33.588 6.307 -3.182 422 HB3 LYS 54 HB1 LYS 54 35.167 6.386 -2.406 423 HG2 LYS 54 HG2 LYS 54 32.475 6.795 -1.058 424 HG3 LYS 54 HG1 LYS 54 33.486 5.356 -0.933 425 HD2 LYS 54 HD2 LYS 54 34.412 8.100 0.003 426 HD3 LYS 54 HD1 LYS 54 33.512 7.002 1.045 427 HE2 LYS 54 HE2 LYS 54 35.844 6.748 1.559 428 HE3 LYS 54 HE1 LYS 54 35.337 5.294 0.706 429 HZ1 LYS 54 HZ1 LYS 54 36.776 7.572 -0.523 430 HZ2 LYS 54 HZ2 LYS 54 36.380 6.113 -1.279 431 HZ3 LYS 54 HZ3 LYS 54 37.490 6.135 -0.007 432 H1 ALA 1 HT1 ALA 1 11.405 0.483 -19.359 433 H2 ALA 1 HT2 ALA 1 12.887 1.192 -18.967 434 H3 ALA 1 HT3 ALA 1 11.560 2.168 -19.344 435 HA ALA 1 HA ALA 1 10.395 1.433 -17.412 436 HB1 ALA 1 HB1 ALA 1 11.495 0.011 -15.733 437 HB2 ALA 1 HB2 ALA 1 12.903 -0.160 -16.787 438 HB3 ALA 1 HB3 ALA 1 11.346 -0.834 -17.276 439 H ARG 2 HN ARG 2 10.416 3.530 -16.788 440 HA ARG 2 HA ARG 2 12.845 4.941 -15.988 441 HB2 ARG 2 HB2 ARG 2 11.342 6.875 -15.621 442 HB3 ARG 2 HB1 ARG 2 11.103 6.172 -17.219 443 HG2 ARG 2 HG2 ARG 2 9.055 5.022 -16.399 444 HG3 ARG 2 HG1 ARG 2 9.290 5.753 -14.807 445 HD2 ARG 2 HD2 ARG 2 9.027 7.988 -15.773 446 HD3 ARG 2 HD1 ARG 2 8.852 7.294 -17.389 447 HE ARG 2 HE ARG 2 6.911 6.178 -15.675 448 HH11 ARG 2 HH11 ARG 2 7.626 9.245 -17.227 449 HH12 ARG 2 HH12 ARG 2 5.965 9.729 -17.289 450 HH21 ARG 2 HH21 ARG 2 4.733 6.827 -15.819 451 HH22 ARG 2 HH22 ARG 2 4.341 8.360 -16.524 452 H THR 3 HN THR 3 10.840 2.747 -14.509 453 HA THR 3 HA THR 3 10.623 3.685 -11.862 454 HB THR 3 HB THR 3 10.531 1.139 -11.317 455 HG1 THR 3 HG1 THR 3 11.683 0.558 -13.315 456 HG21 THR 3 HG21 THR 3 8.281 0.863 -12.297 457 HG22 THR 3 HG22 THR 3 8.548 2.266 -13.331 458 HG23 THR 3 HG23 THR 3 8.474 2.463 -11.578 459 H LYS 4 HN LYS 4 12.516 4.614 -11.169 460 HA LYS 4 HA LYS 4 14.998 3.239 -10.917 461 HB2 LYS 4 HB2 LYS 4 13.902 5.475 -9.132 462 HB3 LYS 4 HB1 LYS 4 15.593 4.996 -9.312 463 HG2 LYS 4 HG2 LYS 4 15.456 5.687 -11.739 464 HG3 LYS 4 HG1 LYS 4 13.835 6.312 -11.417 465 HD2 LYS 4 HD2 LYS 4 15.403 8.161 -11.320 466 HD3 LYS 4 HD1 LYS 4 14.830 7.837 -9.681 467 HE2 LYS 4 HE2 LYS 4 17.252 8.248 -9.702 468 HE3 LYS 4 HE1 LYS 4 16.914 6.594 -9.200 469 HZ1 LYS 4 HZ1 LYS 4 17.737 7.422 -11.925 470 HZ2 LYS 4 HZ2 LYS 4 17.499 5.834 -11.388 471 HZ3 LYS 4 HZ3 LYS 4 18.757 6.762 -10.751 472 H GLN 5 HN GLN 5 15.810 2.122 -9.037 473 HA GLN 5 HA GLN 5 14.029 0.215 -8.054 474 HB2 GLN 5 HB2 GLN 5 16.543 0.001 -8.323 475 HB3 GLN 5 HB1 GLN 5 16.719 0.901 -6.819 476 HG2 GLN 5 HG2 GLN 5 16.946 -1.549 -6.536 477 HG3 GLN 5 HG1 GLN 5 15.648 -0.861 -5.565 478 HE21 GLN 5 HE21 GLN 5 13.533 -1.504 -5.949 479 HE22 GLN 5 HE22 GLN 5 13.109 -2.762 -7.057 480 H THR 6 HN THR 6 12.751 0.110 -6.300 481 HA THR 6 HA THR 6 12.062 2.729 -5.242 482 HB THR 6 HB THR 6 10.333 1.522 -6.450 483 HG1 THR 6 HG1 THR 6 9.369 2.693 -4.889 484 HG21 THR 6 HG21 THR 6 9.354 -0.597 -5.663 485 HG22 THR 6 HG22 THR 6 10.569 -0.687 -4.389 486 HG23 THR 6 HG23 THR 6 11.061 -0.800 -6.081 487 H ALA 7 HN ALA 7 10.835 2.662 -3.093 488 HA ALA 7 HA ALA 7 12.070 1.065 -0.984 489 HB1 ALA 7 HB1 ALA 7 12.711 3.078 0.309 490 HB2 ALA 7 HB2 ALA 7 12.276 4.104 -1.062 491 HB3 ALA 7 HB3 ALA 7 13.614 2.960 -1.200 492 H ARG 8 HN ARG 8 10.932 1.213 0.996 493 HA ARG 8 HA ARG 8 8.103 2.001 0.763 494 HB2 ARG 8 HB2 ARG 8 8.860 -0.356 1.489 495 HB3 ARG 8 HB1 ARG 8 9.462 0.388 2.962 496 HG2 ARG 8 HG2 ARG 8 6.882 1.285 3.015 497 HG3 ARG 8 HG1 ARG 8 6.659 -0.218 2.121 498 HD2 ARG 8 HD2 ARG 8 7.731 0.154 4.936 499 HD3 ARG 8 HD1 ARG 8 6.305 -0.756 4.424 500 HE ARG 8 HE ARG 8 8.892 -1.721 3.448 501 HH11 ARG 8 HH11 ARG 8 6.344 -2.108 5.809 502 HH12 ARG 8 HH12 ARG 8 6.890 -3.669 6.319 503 HH21 ARG 8 HH21 ARG 8 9.660 -3.730 4.189 504 HH22 ARG 8 HH22 ARG 8 8.775 -4.583 5.413 505 H M3L 9 HN M3L 9 7.132 3.132 2.692 506 HA M3L 9 HA M3L 9 9.051 4.762 4.241 507 HB2 M3L 9 HB2 M3L 9 6.069 5.196 3.784 508 HB3 M3L 9 HB1 M3L 9 7.083 6.198 4.828 509 HG2 M3L 9 HG2 M3L 9 8.487 6.775 2.841 510 HG3 M3L 9 HG1 M3L 9 7.372 5.853 1.821 511 HD2 M3L 9 HD2 M3L 9 5.523 7.387 2.533 512 HD3 M3L 9 HD1 M3L 9 6.698 8.329 3.463 513 HE2 M3L 9 HE2 M3L 9 7.956 8.784 1.372 514 HE3 M3L 9 HE1 M3L 9 6.749 7.876 0.456 515 HM11 M3L 9 HH33 M3L 9 5.740 11.648 2.226 516 HM12 M3L 9 HH31 M3L 9 7.366 10.981 2.425 517 HM13 M3L 9 HH32 M3L 9 6.001 10.258 3.283 518 HM21 M3L 9 HH11 M3L 9 4.243 8.953 1.980 519 HM22 M3L 9 HH12 M3L 9 4.390 8.793 0.228 520 HM23 M3L 9 HH13 M3L 9 3.992 10.360 0.942 521 HM31 M3L 9 HH21 M3L 9 5.893 11.383 -0.255 522 HM32 M3L 9 HH22 M3L 9 6.338 9.827 -0.961 523 HM33 M3L 9 HH23 M3L 9 7.530 10.761 -0.055 524 H SER 10 HN SER 10 8.945 4.839 6.423 525 HA SER 10 HA SER 10 8.235 2.396 7.736 526 HB2 SER 10 HB2 SER 10 9.275 3.615 9.747 527 HB3 SER 10 HB1 SER 10 10.333 3.348 8.360 528 HG SER 10 HG SER 10 9.967 5.508 7.734 529 H THR 11 HN THR 11 6.055 2.216 7.826 530 HA THR 11 HA THR 11 4.611 3.898 9.756 531 HB THR 11 HB THR 11 3.939 4.880 7.649 532 HG1 THR 11 HG1 THR 11 1.710 4.512 7.753 533 HG21 THR 11 HG21 THR 11 2.869 3.608 5.821 534 HG22 THR 11 HG22 THR 11 3.212 2.099 6.669 535 HG23 THR 11 HG23 THR 11 4.540 3.098 6.071 536 H GLY 12 HN GLY 12 3.274 2.710 11.054 537 HA2 GLY 12 HA2 GLY 12 2.302 0.084 10.401 538 HA3 GLY 12 HA1 GLY 12 3.679 0.031 11.497 539 H GLY 13 HN GLY 13 3.468 1.723 13.351 540 HA2 GLY 13 HA2 GLY 13 1.074 2.660 14.378 541 HA3 GLY 13 HA1 GLY 13 1.189 0.987 14.924 542 H LYS 14 HN LYS 14 1.852 4.080 15.809 543 HA LYS 14 HA LYS 14 4.169 3.432 17.521 544 HB2 LYS 14 HB2 LYS 14 2.790 6.092 16.919 545 HB3 LYS 14 HB1 LYS 14 4.166 5.905 18.009 546 HG2 LYS 14 HG2 LYS 14 5.565 5.128 16.127 547 HG3 LYS 14 HG1 LYS 14 4.185 5.281 15.030 548 HD2 LYS 14 HD2 LYS 14 4.112 7.703 15.419 549 HD3 LYS 14 HD1 LYS 14 5.429 7.583 16.589 550 HE2 LYS 14 HE2 LYS 14 6.950 6.842 14.781 551 HE3 LYS 14 HE1 LYS 14 5.627 6.957 13.619 552 HZ1 LYS 14 HZ1 LYS 14 5.501 9.308 13.999 553 HZ2 LYS 14 HZ2 LYS 14 7.095 8.909 13.610 554 HZ3 LYS 14 HZ3 LYS 14 6.674 9.234 15.212 555 H ALA 15 HN ALA 15 3.971 3.261 19.716 556 HA ALA 15 HA ALA 15 1.297 3.074 20.856 557 HB1 ALA 15 HB1 ALA 15 2.463 2.101 22.802 558 HB2 ALA 15 HB2 ALA 15 4.020 2.475 22.062 559 HB3 ALA 15 HB3 ALA 15 2.943 1.302 21.302 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 4.933 0.881 3.592 2 H2 GLY 1 HT2 GLY 1 3.700 0.474 2.512 3 H3 GLY 1 HT3 GLY 1 3.311 1.103 4.029 4 HA2 GLY 1 HA1 GLY 1 3.056 2.779 2.306 5 HA3 GLY 1 HA2 GLY 1 4.305 3.215 3.474 6 H GLU 2 HN GLU 2 4.123 1.156 0.561 7 HA GLU 2 HA GLU 2 6.914 1.650 -0.067 8 HB2 GLU 2 HB2 GLU 2 4.791 -0.096 -1.397 9 HB3 GLU 2 HB1 GLU 2 6.469 -0.023 -1.924 10 HG2 GLU 2 HG2 GLU 2 6.004 -2.020 -0.564 11 HG3 GLU 2 HG1 GLU 2 7.221 -0.982 0.157 12 H PHE 3 HN PHE 3 7.562 3.273 -1.366 13 HA PHE 3 HA PHE 3 5.907 4.153 -3.643 14 HB2 PHE 3 HB2 PHE 3 5.522 5.687 -1.623 15 HB3 PHE 3 HB1 PHE 3 7.219 6.139 -1.716 16 HD1 PHE 3 HD2 PHE 3 3.974 6.255 -3.533 17 HD2 PHE 3 HD1 PHE 3 7.964 7.779 -3.351 18 HE1 PHE 3 HE2 PHE 3 3.406 7.965 -5.200 19 HE2 PHE 3 HE1 PHE 3 7.384 9.485 -5.022 20 HZ PHE 3 HZ PHE 3 5.105 9.577 -5.950 21 H VAL 4 HN VAL 4 7.150 5.191 -5.312 22 HA VAL 4 HA VAL 4 9.800 4.102 -5.618 23 HB VAL 4 HB VAL 4 8.249 5.960 -7.470 24 HG11 VAL 4 HG11 VAL 4 10.656 6.075 -7.963 25 HG12 VAL 4 HG12 VAL 4 9.813 5.211 -9.249 26 HG13 VAL 4 HG13 VAL 4 10.744 4.312 -8.047 27 HG21 VAL 4 HG21 VAL 4 7.065 3.831 -7.131 28 HG22 VAL 4 HG22 VAL 4 8.526 2.933 -7.554 29 HG23 VAL 4 HG23 VAL 4 7.718 3.925 -8.770 30 H VAL 5 HN VAL 5 11.543 5.033 -4.825 31 HA VAL 5 HA VAL 5 11.728 7.922 -4.345 32 HB VAL 5 HB VAL 5 12.446 6.577 -2.479 33 HG11 VAL 5 HG11 VAL 5 14.279 4.934 -2.562 34 HG12 VAL 5 HG12 VAL 5 14.405 5.159 -4.312 35 HG13 VAL 5 HG13 VAL 5 12.940 4.464 -3.615 36 HG21 VAL 5 HG21 VAL 5 14.776 7.352 -2.119 37 HG22 VAL 5 HG22 VAL 5 13.774 8.616 -2.834 38 HG23 VAL 5 HG23 VAL 5 14.915 7.724 -3.842 39 H GLU 6 HN GLU 6 13.138 9.247 -5.354 40 HA GLU 6 HA GLU 6 14.241 8.531 -7.910 41 HB2 GLU 6 HB2 GLU 6 13.150 10.691 -7.631 42 HB3 GLU 6 HB1 GLU 6 14.246 11.128 -6.331 43 HG2 GLU 6 HG2 GLU 6 14.799 12.297 -8.406 44 HG3 GLU 6 HG1 GLU 6 16.118 11.246 -7.889 45 H LYS 7 HN LYS 7 15.660 9.866 -4.859 46 HA LYS 7 HA LYS 7 18.098 8.344 -5.142 47 HB2 LYS 7 HB2 LYS 7 19.641 10.257 -5.389 48 HB3 LYS 7 HB1 LYS 7 18.581 10.108 -6.786 49 HG2 LYS 7 HG2 LYS 7 17.241 11.988 -6.079 50 HG3 LYS 7 HG1 LYS 7 18.070 12.073 -4.520 51 HD2 LYS 7 HD2 LYS 7 19.363 12.590 -7.234 52 HD3 LYS 7 HD1 LYS 7 18.837 13.836 -6.101 53 HE2 LYS 7 HE2 LYS 7 20.477 13.026 -4.436 54 HE3 LYS 7 HE1 LYS 7 20.987 11.752 -5.544 55 HZ1 LYS 7 HZ1 LYS 7 21.247 14.666 -6.033 56 HZ2 LYS 7 HZ2 LYS 7 21.755 13.437 -7.077 57 HZ3 LYS 7 HZ3 LYS 7 22.490 13.623 -5.568 58 H VAL 8 HN VAL 8 19.717 8.923 -3.456 59 HA VAL 8 HA VAL 8 18.532 9.762 -0.910 60 HB VAL 8 HB VAL 8 21.367 8.746 -1.441 61 HG11 VAL 8 HG11 VAL 8 21.447 8.312 0.994 62 HG12 VAL 8 HG12 VAL 8 19.832 9.000 1.175 63 HG13 VAL 8 HG13 VAL 8 21.173 10.023 0.654 64 HG21 VAL 8 HG21 VAL 8 18.985 7.117 -0.477 65 HG22 VAL 8 HG22 VAL 8 20.643 6.535 -0.630 66 HG23 VAL 8 HG23 VAL 8 19.735 6.997 -2.071 67 H LEU 9 HN LEU 9 19.228 11.564 0.195 68 HA LEU 9 HA LEU 9 20.789 13.600 -1.270 69 HB2 LEU 9 HB2 LEU 9 18.624 13.983 0.839 70 HB3 LEU 9 HB1 LEU 9 19.470 15.271 -0.014 71 HG LEU 9 HG LEU 9 17.612 13.242 -1.332 72 HD11 LEU 9 HD11 LEU 9 17.086 16.144 -0.623 73 HD12 LEU 9 HD12 LEU 9 16.355 14.726 0.136 74 HD13 LEU 9 HD13 LEU 9 16.013 15.092 -1.552 75 HD21 LEU 9 HD21 LEU 9 19.338 14.051 -2.885 76 HD22 LEU 9 HD22 LEU 9 18.926 15.724 -2.505 77 HD23 LEU 9 HD23 LEU 9 17.754 14.687 -3.325 78 H ASP 10 HN ASP 10 20.296 11.967 1.819 79 HA ASP 10 HA ASP 10 22.828 12.847 2.913 80 HB2 ASP 10 HB2 ASP 10 21.237 14.775 3.389 81 HB3 ASP 10 HB1 ASP 10 20.259 13.674 4.349 82 H ARG 11 HN ARG 11 23.180 11.848 5.104 83 HA ARG 11 HA ARG 11 21.632 9.361 5.571 84 HB2 ARG 11 HB2 ARG 11 23.649 8.814 4.261 85 HB3 ARG 11 HB1 ARG 11 24.663 9.668 5.415 86 HG2 ARG 11 HG2 ARG 11 24.048 7.969 7.146 87 HG3 ARG 11 HG1 ARG 11 23.124 7.096 5.919 88 HD2 ARG 11 HD2 ARG 11 25.126 6.645 4.639 89 HD3 ARG 11 HD1 ARG 11 26.089 7.710 5.669 90 HE ARG 11 HE ARG 11 25.076 5.038 6.342 91 HH11 ARG 11 HH11 ARG 11 26.972 7.826 7.354 92 HH12 ARG 11 HH12 ARG 11 27.804 6.953 8.598 93 HH21 ARG 11 HH21 ARG 11 26.169 3.912 7.971 94 HH22 ARG 11 HH22 ARG 11 27.344 4.726 8.947 95 H ARG 12 HN ARG 12 21.704 8.602 7.735 96 HA ARG 12 HA ARG 12 23.129 10.113 9.806 97 HB2 ARG 12 HB2 ARG 12 21.201 10.587 11.143 98 HB3 ARG 12 HB1 ARG 12 20.748 11.090 9.517 99 HG2 ARG 12 HG2 ARG 12 19.563 8.874 9.242 100 HG3 ARG 12 HG1 ARG 12 19.894 8.547 10.947 101 HD2 ARG 12 HD2 ARG 12 18.244 10.832 9.830 102 HD3 ARG 12 HD1 ARG 12 17.622 9.395 10.643 103 HE ARG 12 HE ARG 12 19.302 10.548 12.473 104 HH11 ARG 12 HH11 ARG 12 16.508 11.717 10.671 105 HH12 ARG 12 HH12 ARG 12 16.016 12.807 11.923 106 HH21 ARG 12 HH21 ARG 12 18.636 11.985 14.084 107 HH22 ARG 12 HH22 ARG 12 17.209 12.946 13.861 108 H VAL 13 HN VAL 13 23.229 8.914 11.815 109 HA VAL 13 HA VAL 13 22.460 6.050 11.703 110 HB VAL 13 HB VAL 13 24.751 7.305 13.299 111 HG11 VAL 13 HG11 VAL 13 23.709 5.455 14.574 112 HG12 VAL 13 HG12 VAL 13 25.312 4.986 14.004 113 HG13 VAL 13 HG13 VAL 13 23.873 4.384 13.179 114 HG21 VAL 13 HG21 VAL 13 25.312 7.097 10.901 115 HG22 VAL 13 HG22 VAL 13 24.867 5.389 10.933 116 HG23 VAL 13 HG23 VAL 13 26.256 5.955 11.865 117 H VAL 14 HN VAL 14 20.861 5.542 13.061 118 HA VAL 14 HA VAL 14 20.314 7.216 15.449 119 HB VAL 14 HB VAL 14 18.328 5.436 13.954 120 HG11 VAL 14 HG11 VAL 14 16.601 6.544 15.345 121 HG12 VAL 14 HG12 VAL 14 17.862 7.425 16.208 122 HG13 VAL 14 HG13 VAL 14 17.769 5.669 16.337 123 HG21 VAL 14 HG21 VAL 14 18.945 7.354 12.544 124 HG22 VAL 14 HG22 VAL 14 18.585 8.467 13.865 125 HG23 VAL 14 HG23 VAL 14 17.285 7.528 13.125 126 H ASN 15 HN ASN 15 21.131 6.254 17.185 127 HA ASN 15 HA ASN 15 21.906 4.794 18.711 128 HB2 ASN 15 HB2 ASN 15 19.836 2.885 17.545 129 HB3 ASN 15 HB1 ASN 15 20.785 2.549 18.995 130 HD21 ASN 15 HD21 ASN 15 18.239 4.512 17.613 131 HD22 ASN 15 HD22 ASN 15 17.595 5.089 19.109 132 H GLY 16 HN GLY 16 21.295 2.486 16.085 133 HA2 GLY 16 HA2 GLY 16 24.150 2.285 15.423 134 HA3 GLY 16 HA1 GLY 16 23.333 0.826 15.978 135 H LYS 17 HN LYS 17 20.891 2.274 14.475 136 HA LYS 17 HA LYS 17 21.190 0.777 12.001 137 HB2 LYS 17 HB2 LYS 17 18.885 1.098 11.677 138 HB3 LYS 17 HB1 LYS 17 18.986 1.110 13.433 139 HG2 LYS 17 HG2 LYS 17 19.026 3.642 13.325 140 HG3 LYS 17 HG1 LYS 17 18.727 3.512 11.589 141 HD2 LYS 17 HD2 LYS 17 16.886 2.588 13.835 142 HD3 LYS 17 HD1 LYS 17 16.630 3.957 12.750 143 HE2 LYS 17 HE2 LYS 17 16.573 2.318 10.837 144 HE3 LYS 17 HE1 LYS 17 16.614 1.012 12.021 145 HZ1 LYS 17 HZ1 LYS 17 14.506 3.079 11.732 146 HZ2 LYS 17 HZ2 LYS 17 14.548 1.918 12.958 147 HZ3 LYS 17 HZ3 LYS 17 14.377 1.438 11.347 148 H VAL 18 HN VAL 18 20.505 1.966 9.925 149 HA VAL 18 HA VAL 18 21.608 4.722 9.803 150 HB VAL 18 HB VAL 18 21.920 2.532 7.704 151 HG11 VAL 18 HG11 VAL 18 23.335 4.164 6.477 152 HG12 VAL 18 HG12 VAL 18 22.934 5.398 7.675 153 HG13 VAL 18 HG13 VAL 18 21.669 4.728 6.641 154 HG21 VAL 18 HG21 VAL 18 23.417 2.158 9.622 155 HG22 VAL 18 HG22 VAL 18 24.029 3.808 9.487 156 HG23 VAL 18 HG23 VAL 18 24.348 2.642 8.200 157 H GLU 19 HN GLU 19 20.155 6.165 9.053 158 HA GLU 19 HA GLU 19 18.003 5.231 7.227 159 HB2 GLU 19 HB2 GLU 19 17.839 7.641 9.089 160 HB3 GLU 19 HB1 GLU 19 16.557 6.995 8.063 161 HG2 GLU 19 HG2 GLU 19 16.739 4.846 9.433 162 HG3 GLU 19 HG1 GLU 19 17.748 5.755 10.557 163 H TYR 20 HN TYR 20 17.701 6.336 5.370 164 HA TYR 20 HA TYR 20 19.680 8.396 4.610 165 HB2 TYR 20 HB2 TYR 20 18.198 6.333 2.907 166 HB3 TYR 20 HB1 TYR 20 19.276 7.570 2.266 167 HD1 TYR 20 HD2 TYR 20 21.733 7.387 2.579 168 HD2 TYR 20 HD1 TYR 20 19.120 4.352 4.079 169 HE1 TYR 20 HE2 TYR 20 23.645 5.879 2.866 170 HE2 TYR 20 HE1 TYR 20 21.042 2.851 4.371 171 HH TYR 20 HH TYR 20 23.292 2.553 3.494 172 H PHE 21 HN PHE 21 18.906 10.348 3.984 173 HA PHE 21 HA PHE 21 16.101 10.991 4.065 174 HB2 PHE 21 HB2 PHE 21 17.984 12.511 4.866 175 HB3 PHE 21 HB1 PHE 21 18.436 12.754 3.183 176 HD1 PHE 21 HD1 PHE 21 15.339 12.894 5.305 177 HD2 PHE 21 HD2 PHE 21 17.642 14.740 2.213 178 HE1 PHE 21 HE1 PHE 21 13.726 14.738 5.201 179 HE2 PHE 21 HE2 PHE 21 16.020 16.583 2.116 180 HZ PHE 21 HZ PHE 21 14.061 16.588 3.610 181 H LEU 22 HN LEU 22 14.836 10.524 2.366 182 HA LEU 22 HA LEU 22 16.077 9.987 -0.245 183 HB2 LEU 22 HB2 LEU 22 13.460 9.049 0.973 184 HB3 LEU 22 HB1 LEU 22 14.013 8.639 -0.643 185 HG LEU 22 HG LEU 22 15.246 7.774 1.993 186 HD11 LEU 22 HD11 LEU 22 14.737 5.526 1.192 187 HD12 LEU 22 HD12 LEU 22 14.022 6.189 -0.277 188 HD13 LEU 22 HD13 LEU 22 13.283 6.512 1.293 189 HD21 LEU 22 HD21 LEU 22 16.362 7.321 -0.800 190 HD22 LEU 22 HD22 LEU 22 16.946 6.547 0.678 191 HD23 LEU 22 HD23 LEU 22 17.096 8.291 0.482 192 H LYS 23 HN LYS 23 15.796 11.451 -1.789 193 HA LYS 23 HA LYS 23 13.517 13.184 -2.016 194 HB2 LYS 23 HB2 LYS 23 16.013 13.432 -3.003 195 HB3 LYS 23 HB1 LYS 23 15.334 12.564 -4.368 196 HG2 LYS 23 HG2 LYS 23 14.383 15.227 -3.256 197 HG3 LYS 23 HG1 LYS 23 15.306 14.987 -4.741 198 HD2 LYS 23 HD2 LYS 23 13.401 13.772 -5.728 199 HD3 LYS 23 HD1 LYS 23 12.484 13.962 -4.232 200 HE2 LYS 23 HE2 LYS 23 11.796 15.611 -5.944 201 HE3 LYS 23 HE1 LYS 23 12.456 16.389 -4.506 202 HZ1 LYS 23 HZ1 LYS 23 14.552 16.679 -5.676 203 HZ2 LYS 23 HZ2 LYS 23 13.284 17.416 -6.514 204 HZ3 LYS 23 HZ3 LYS 23 13.909 15.942 -7.056 205 H TRP 24 HN TRP 24 11.599 12.229 -2.440 206 HA TRP 24 HA TRP 24 11.357 9.708 -3.841 207 HB2 TRP 24 HB2 TRP 24 9.181 11.611 -2.883 208 HB3 TRP 24 HB1 TRP 24 8.946 9.940 -3.391 209 HD1 TRP 24 HD1 TRP 24 10.105 12.027 -0.415 210 HE1 TRP 24 HE1 TRP 24 10.473 10.479 1.605 211 HE3 TRP 24 HE3 TRP 24 9.631 7.497 -2.742 212 HZ2 TRP 24 HZ2 TRP 24 10.546 7.737 2.143 213 HZ3 TRP 24 HZ3 TRP 24 9.861 5.453 -1.396 214 HH2 TRP 24 HH2 TRP 24 10.313 5.569 1.004 215 H LYS 25 HN LYS 25 10.309 9.380 -5.844 216 HA LYS 25 HA LYS 25 10.832 11.180 -7.926 217 HB2 LYS 25 HB2 LYS 25 10.559 8.781 -8.325 218 HB3 LYS 25 HB1 LYS 25 8.891 8.843 -7.765 219 HG2 LYS 25 HG2 LYS 25 8.424 10.410 -9.745 220 HG3 LYS 25 HG1 LYS 25 10.032 9.990 -10.332 221 HD2 LYS 25 HD2 LYS 25 8.291 8.635 -11.434 222 HD3 LYS 25 HD1 LYS 25 9.375 7.617 -10.484 223 HE2 LYS 25 HE2 LYS 25 7.707 7.492 -8.686 224 HE3 LYS 25 HE1 LYS 25 6.638 8.569 -9.583 225 HZ1 LYS 25 HZ1 LYS 25 6.043 6.223 -9.784 226 HZ2 LYS 25 HZ2 LYS 25 7.523 5.913 -10.544 227 HZ3 LYS 25 HZ3 LYS 25 6.392 6.934 -11.275 228 H GLY 26 HN GLY 26 7.796 10.493 -6.200 229 HA2 GLY 26 HA2 GLY 26 6.373 12.586 -7.724 230 HA3 GLY 26 HA1 GLY 26 5.635 11.238 -6.883 231 H PHE 27 HN PHE 27 8.087 12.763 -5.037 232 HA PHE 27 HA PHE 27 6.200 14.676 -3.803 233 HB2 PHE 27 HB2 PHE 27 7.985 12.754 -2.248 234 HB3 PHE 27 HB1 PHE 27 7.105 14.095 -1.533 235 HD1 PHE 27 HD2 PHE 27 4.459 14.087 -2.269 236 HD2 PHE 27 HD1 PHE 27 6.976 10.642 -1.948 237 HE1 PHE 27 HE2 PHE 27 2.479 12.664 -1.930 238 HE2 PHE 27 HE1 PHE 27 4.988 9.234 -1.613 239 HZ PHE 27 HZ PHE 27 2.743 10.241 -1.603 240 H THR 28 HN THR 28 7.051 16.569 -3.231 241 HA THR 28 HA THR 28 9.569 17.321 -4.419 242 HB THR 28 HB THR 28 8.802 19.666 -3.710 243 HG1 THR 28 HG1 THR 28 7.332 19.553 -2.187 244 HG21 THR 28 HG21 THR 28 7.016 19.822 -5.402 245 HG22 THR 28 HG22 THR 28 6.852 18.066 -5.417 246 HG23 THR 28 HG23 THR 28 8.342 18.819 -5.992 247 H ASP 29 HN ASP 29 10.587 19.290 -3.013 248 HA ASP 29 HA ASP 29 12.472 18.048 -1.469 249 HB2 ASP 29 HB2 ASP 29 12.801 20.218 -2.558 250 HB3 ASP 29 HB1 ASP 29 11.656 20.975 -1.460 251 H ALA 30 HN ALA 30 9.736 19.970 -0.239 252 HA ALA 30 HA ALA 30 10.505 19.807 2.511 253 HB1 ALA 30 HB1 ALA 30 7.848 20.646 1.302 254 HB2 ALA 30 HB2 ALA 30 9.228 21.701 1.610 255 HB3 ALA 30 HB3 ALA 30 8.379 20.952 2.962 256 H ASP 31 HN ASP 31 8.699 17.672 0.464 257 HA ASP 31 HA ASP 31 7.301 16.353 2.679 258 HB2 ASP 31 HB2 ASP 31 6.219 16.802 0.375 259 HB3 ASP 31 HB1 ASP 31 7.240 15.515 -0.250 260 H ASN 32 HN ASN 32 10.252 16.042 0.952 261 HA ASN 32 HA ASN 32 10.672 13.266 0.862 262 HB2 ASN 32 HB2 ASN 32 12.713 15.507 1.155 263 HB3 ASN 32 HB1 ASN 32 13.114 13.843 0.748 264 HD21 ASN 32 HD21 ASN 32 10.674 13.566 -0.992 265 HD22 ASN 32 HD22 ASN 32 11.049 14.450 -2.425 266 H THR 33 HN THR 33 11.619 11.760 2.286 267 HA THR 33 HA THR 33 11.587 12.530 5.152 268 HB THR 33 HB THR 33 10.336 10.341 5.572 269 HG1 THR 33 HG1 THR 33 10.276 9.110 3.851 270 HG21 THR 33 HG21 THR 33 9.126 12.498 5.629 271 HG22 THR 33 HG22 THR 33 8.112 11.205 4.982 272 HG23 THR 33 HG23 THR 33 8.848 12.379 3.892 273 H TRP 34 HN TRP 34 12.662 11.136 6.598 274 HA TRP 34 HA TRP 34 14.982 9.701 5.630 275 HB2 TRP 34 HB2 TRP 34 13.854 10.100 8.440 276 HB3 TRP 34 HB1 TRP 34 15.345 9.229 8.102 277 HD1 TRP 34 HD1 TRP 34 13.983 12.775 8.451 278 HE1 TRP 34 HE1 TRP 34 15.954 14.421 8.344 279 HE3 TRP 34 HE3 TRP 34 17.648 9.548 6.967 280 HZ2 TRP 34 HZ2 TRP 34 18.698 14.361 7.709 281 HZ3 TRP 34 HZ3 TRP 34 19.916 10.414 6.626 282 HH2 TRP 34 HH2 TRP 34 20.433 12.773 6.990 283 H GLU 35 HN GLU 35 14.826 7.618 4.922 284 HA GLU 35 HA GLU 35 13.000 5.744 6.326 285 HB2 GLU 35 HB2 GLU 35 13.972 5.596 3.449 286 HB3 GLU 35 HB1 GLU 35 12.958 4.392 4.243 287 HG2 GLU 35 HG2 GLU 35 12.247 7.218 3.454 288 HG3 GLU 35 HG1 GLU 35 11.575 5.717 2.833 289 HA PRO 36 HA PRO 36 16.818 3.696 7.462 290 HB2 PRO 36 HB2 PRO 36 15.802 1.449 8.591 291 HB3 PRO 36 HB1 PRO 36 15.627 3.040 9.341 292 HG2 PRO 36 HG2 PRO 36 13.627 1.502 7.686 293 HG3 PRO 36 HG1 PRO 36 13.382 2.369 9.221 294 HD2 PRO 36 HD2 PRO 36 12.763 3.455 6.779 295 HD3 PRO 36 HD1 PRO 36 13.247 4.437 8.180 296 H GLU 37 HN GLU 37 18.167 2.070 6.763 297 HA GLU 37 HA GLU 37 17.934 1.130 4.134 298 HB2 GLU 37 HB2 GLU 37 19.955 -0.426 4.894 299 HB3 GLU 37 HB1 GLU 37 20.157 1.301 4.711 300 HG2 GLU 37 HG2 GLU 37 21.248 0.262 6.732 301 HG3 GLU 37 HG1 GLU 37 20.238 1.664 7.035 302 H GLU 38 HN GLU 38 16.962 -0.377 7.122 303 HA GLU 38 HA GLU 38 16.688 -3.052 6.308 304 HB2 GLU 38 HB2 GLU 38 15.104 -3.305 8.192 305 HB3 GLU 38 HB1 GLU 38 16.504 -2.354 8.674 306 HG2 GLU 38 HG2 GLU 38 15.208 -0.291 8.476 307 HG3 GLU 38 HG1 GLU 38 13.813 -1.192 7.899 308 H ASN 39 HN ASN 39 14.576 -0.265 5.834 309 HA ASN 39 HA ASN 39 12.365 -1.767 4.694 310 HB2 ASN 39 HB2 ASN 39 12.890 1.201 5.102 311 HB3 ASN 39 HB1 ASN 39 11.492 0.630 4.200 312 HD21 ASN 39 HD21 ASN 39 10.051 1.533 5.649 313 HD22 ASN 39 HD22 ASN 39 9.789 0.885 7.227 314 H LEU 40 HN LEU 40 15.145 0.069 3.546 315 HA LEU 40 HA LEU 40 14.125 0.829 1.025 316 HB2 LEU 40 HB2 LEU 40 17.053 0.464 1.771 317 HB3 LEU 40 HB1 LEU 40 16.441 1.358 0.386 318 HG LEU 40 HG LEU 40 16.311 2.114 3.316 319 HD11 LEU 40 HD11 LEU 40 17.364 3.599 0.893 320 HD12 LEU 40 HD12 LEU 40 18.326 2.794 2.136 321 HD13 LEU 40 HD13 LEU 40 17.354 4.202 2.555 322 HD21 LEU 40 HD21 LEU 40 14.903 4.049 2.694 323 HD22 LEU 40 HD22 LEU 40 14.072 2.510 2.513 324 HD23 LEU 40 HD23 LEU 40 14.681 3.355 1.087 325 H ASP 41 HN ASP 41 14.039 -0.120 -0.919 326 HA ASP 41 HA ASP 41 15.310 -2.770 -1.342 327 HB2 ASP 41 HB2 ASP 41 12.763 -2.548 -1.557 328 HB3 ASP 41 HB1 ASP 41 13.035 -1.492 -2.939 329 H CYS 42 HN CYS 42 16.668 -0.207 -1.387 330 HA CYS 42 HA CYS 42 17.312 0.183 -4.256 331 HB2 CYS 42 HB2 CYS 42 17.629 2.225 -2.014 332 HB3 CYS 42 HB1 CYS 42 17.739 2.508 -3.753 333 HG CYS 42 HG CYS 42 14.836 1.333 -3.538 334 HA PRO 43 HA PRO 43 21.433 -1.048 -2.490 335 HB2 PRO 43 HB2 PRO 43 22.183 -2.762 -4.477 336 HB3 PRO 43 HB1 PRO 43 21.200 -3.289 -3.104 337 HG2 PRO 43 HG2 PRO 43 20.339 -2.606 -5.902 338 HG3 PRO 43 HG1 PRO 43 19.792 -3.930 -4.855 339 HD2 PRO 43 HD2 PRO 43 18.385 -1.573 -5.215 340 HD3 PRO 43 HD1 PRO 43 18.249 -2.587 -3.762 341 H GLU 44 HN GLU 44 20.187 -0.036 -5.593 342 HA GLU 44 HA GLU 44 22.541 0.811 -6.892 343 HB2 GLU 44 HB2 GLU 44 20.390 0.400 -8.049 344 HB3 GLU 44 HB1 GLU 44 19.660 1.753 -7.199 345 HG2 GLU 44 HG2 GLU 44 20.169 2.402 -9.467 346 HG3 GLU 44 HG1 GLU 44 21.203 3.306 -8.359 347 H LEU 45 HN LEU 45 20.046 2.687 -5.127 348 HA LEU 45 HA LEU 45 21.282 5.214 -5.488 349 HB2 LEU 45 HB2 LEU 45 19.193 4.371 -3.450 350 HB3 LEU 45 HB1 LEU 45 19.652 6.038 -3.782 351 HG LEU 45 HG LEU 45 18.272 4.122 -5.696 352 HD11 LEU 45 HD11 LEU 45 16.386 5.686 -5.554 353 HD12 LEU 45 HD12 LEU 45 17.267 6.648 -4.362 354 HD13 LEU 45 HD13 LEU 45 16.789 4.992 -3.983 355 HD21 LEU 45 HD21 LEU 45 18.159 6.000 -7.293 356 HD22 LEU 45 HD22 LEU 45 19.820 5.508 -6.979 357 HD23 LEU 45 HD23 LEU 45 19.180 6.974 -6.230 358 H ILE 46 HN ILE 46 21.343 2.888 -2.801 359 HA ILE 46 HA ILE 46 22.744 4.546 -0.954 360 HB ILE 46 HB ILE 46 22.529 1.506 -1.072 361 HG12 ILE 46 HG12 ILE 46 21.032 3.548 0.640 362 HG13 ILE 46 HG11 ILE 46 20.358 2.695 -0.744 363 HG21 ILE 46 HG21 ILE 46 24.530 2.115 0.219 364 HG22 ILE 46 HG22 ILE 46 23.280 1.496 1.295 365 HG23 ILE 46 HG23 ILE 46 23.580 3.232 1.204 366 HD11 ILE 46 HD11 ILE 46 21.248 1.443 1.856 367 HD12 ILE 46 HD12 ILE 46 20.583 0.570 0.472 368 HD13 ILE 46 HD13 ILE 46 19.589 1.737 1.341 369 H GLU 47 HN GLU 47 23.854 1.988 -3.203 370 HA GLU 47 HA GLU 47 26.605 2.035 -2.656 371 HB2 GLU 47 HB2 GLU 47 25.444 0.318 -4.065 372 HB3 GLU 47 HB1 GLU 47 25.260 1.509 -5.343 373 HG2 GLU 47 HG2 GLU 47 27.098 0.126 -5.952 374 HG3 GLU 47 HG1 GLU 47 27.776 1.671 -5.453 375 H ALA 48 HN ALA 48 24.760 3.769 -5.132 376 HA ALA 48 HA ALA 48 26.858 5.198 -6.333 377 HB1 ALA 48 HB1 ALA 48 25.078 6.563 -7.364 378 HB2 ALA 48 HB2 ALA 48 23.900 5.898 -6.226 379 HB3 ALA 48 HB3 ALA 48 24.672 4.846 -7.415 380 H PHE 49 HN PHE 49 24.728 5.965 -3.632 381 HA PHE 49 HA PHE 49 25.386 8.694 -3.228 382 HB2 PHE 49 HB2 PHE 49 23.377 7.801 -2.239 383 HB3 PHE 49 HB1 PHE 49 24.259 6.529 -1.409 384 HD1 PHE 49 HD2 PHE 49 24.139 10.298 -1.535 385 HD2 PHE 49 HD1 PHE 49 24.595 6.799 0.876 386 HE1 PHE 49 HE2 PHE 49 24.217 11.693 0.488 387 HE2 PHE 49 HE1 PHE 49 24.672 8.197 2.885 388 HZ PHE 49 HZ PHE 49 24.483 10.645 2.698 389 H LEU 50 HN LEU 50 26.636 5.705 -1.724 390 HA LEU 50 HA LEU 50 28.467 6.983 0.042 391 HB2 LEU 50 HB2 LEU 50 28.443 4.112 -0.973 392 HB3 LEU 50 HB1 LEU 50 29.415 4.700 0.369 393 HG LEU 50 HG LEU 50 26.376 4.503 0.286 394 HD11 LEU 50 HD11 LEU 50 26.628 2.857 2.073 395 HD12 LEU 50 HD12 LEU 50 28.385 3.008 1.988 396 HD13 LEU 50 HD13 LEU 50 27.485 2.353 0.618 397 HD21 LEU 50 HD21 LEU 50 28.104 5.599 2.528 398 HD22 LEU 50 HD22 LEU 50 26.369 5.285 2.623 399 HD23 LEU 50 HD23 LEU 50 26.979 6.520 1.527 400 H ASN 51 HN ASN 51 28.784 5.642 -3.216 401 HA ASN 51 HA ASN 51 31.632 6.073 -3.445 402 HB2 ASN 51 HB2 ASN 51 29.498 5.306 -5.475 403 HB3 ASN 51 HB1 ASN 51 31.201 5.476 -5.900 404 HD21 ASN 51 HD21 ASN 51 29.358 3.124 -5.872 405 HD22 ASN 51 HD22 ASN 51 30.176 1.924 -4.935 406 H SER 52 HN SER 52 28.820 8.049 -3.947 407 HA SER 52 HA SER 52 30.091 10.004 -5.658 408 HB2 SER 52 HB2 SER 52 27.611 9.746 -5.585 409 HB3 SER 52 HB1 SER 52 27.604 10.295 -3.909 410 HG SER 52 HG SER 52 28.512 11.800 -6.149 411 H GLN 53 HN GLN 53 29.853 9.402 -2.225 412 HA GLN 53 HA GLN 53 30.948 11.962 -1.375 413 HB2 GLN 53 HB2 GLN 53 30.470 9.376 0.179 414 HB3 GLN 53 HB1 GLN 53 30.876 10.943 0.885 415 HG2 GLN 53 HG2 GLN 53 28.762 11.883 0.129 416 HG3 GLN 53 HG1 GLN 53 28.358 10.387 -0.714 417 HE21 GLN 53 HE21 GLN 53 27.774 8.556 0.510 418 HE22 GLN 53 HE22 GLN 53 27.271 8.685 2.159 419 H LYS 54 HN LYS 54 32.047 8.634 -1.871 420 HA LYS 54 HA LYS 54 34.773 9.221 -0.967 421 HB2 LYS 54 HB2 LYS 54 33.480 6.649 -1.978 422 HB3 LYS 54 HB1 LYS 54 35.150 6.778 -1.430 423 HG2 LYS 54 HG2 LYS 54 32.694 7.310 0.273 424 HG3 LYS 54 HG1 LYS 54 33.657 5.827 0.293 425 HD2 LYS 54 HD2 LYS 54 35.625 7.111 1.083 426 HD3 LYS 54 HD1 LYS 54 34.683 8.605 1.034 427 HE2 LYS 54 HE2 LYS 54 34.039 6.208 2.787 428 HE3 LYS 54 HE1 LYS 54 34.901 7.650 3.325 429 HZ1 LYS 54 HZ1 LYS 54 32.943 8.962 2.796 430 HZ2 LYS 54 HZ2 LYS 54 32.569 7.748 3.910 431 HZ3 LYS 54 HZ3 LYS 54 32.125 7.576 2.288 432 H1 ALA 1 HT1 ALA 1 13.029 8.593 -15.904 433 H2 ALA 1 HT2 ALA 1 12.366 8.153 -17.394 434 H3 ALA 1 HT3 ALA 1 13.719 9.166 -17.342 435 HA ALA 1 HA ALA 1 14.312 6.909 -17.973 436 HB1 ALA 1 HB1 ALA 1 16.146 6.610 -16.341 437 HB2 ALA 1 HB2 ALA 1 15.347 7.734 -15.237 438 HB3 ALA 1 HB3 ALA 1 15.962 8.308 -16.788 439 H ARG 2 HN ARG 2 14.336 4.647 -17.494 440 HA ARG 2 HA ARG 2 12.283 3.626 -15.721 441 HB2 ARG 2 HB2 ARG 2 14.391 2.187 -17.378 442 HB3 ARG 2 HB1 ARG 2 13.301 1.328 -16.304 443 HG2 ARG 2 HG2 ARG 2 12.441 1.140 -18.530 444 HG3 ARG 2 HG1 ARG 2 11.366 2.205 -17.625 445 HD2 ARG 2 HD2 ARG 2 11.775 3.014 -19.920 446 HD3 ARG 2 HD1 ARG 2 12.348 4.161 -18.707 447 HE ARG 2 HE ARG 2 14.573 2.711 -19.261 448 HH11 ARG 2 HH11 ARG 2 12.315 4.368 -21.375 449 HH12 ARG 2 HH12 ARG 2 13.529 4.772 -22.539 450 HH21 ARG 2 HH21 ARG 2 16.144 3.239 -20.798 451 HH22 ARG 2 HH22 ARG 2 15.697 4.136 -22.215 452 H THR 3 HN THR 3 15.635 4.391 -15.457 453 HA THR 3 HA THR 3 16.430 2.822 -13.254 454 HB THR 3 HB THR 3 17.378 5.635 -13.989 455 HG1 THR 3 HG1 THR 3 18.256 3.085 -14.934 456 HG21 THR 3 HG21 THR 3 19.525 4.940 -12.964 457 HG22 THR 3 HG22 THR 3 18.815 3.390 -12.512 458 HG23 THR 3 HG23 THR 3 18.217 4.879 -11.779 459 H LYS 4 HN LYS 4 14.667 2.776 -11.847 460 HA LYS 4 HA LYS 4 14.192 5.081 -10.095 461 HB2 LYS 4 HB2 LYS 4 12.039 3.663 -11.733 462 HB3 LYS 4 HB1 LYS 4 11.654 4.594 -10.295 463 HG2 LYS 4 HG2 LYS 4 13.186 5.948 -12.510 464 HG3 LYS 4 HG1 LYS 4 11.469 5.640 -12.734 465 HD2 LYS 4 HD2 LYS 4 11.807 7.907 -11.889 466 HD3 LYS 4 HD1 LYS 4 10.950 6.933 -10.699 467 HE2 LYS 4 HE2 LYS 4 12.594 8.363 -9.604 468 HE3 LYS 4 HE1 LYS 4 13.059 6.672 -9.422 469 HZ1 LYS 4 HZ1 LYS 4 14.986 7.875 -9.988 470 HZ2 LYS 4 HZ2 LYS 4 14.218 8.688 -11.250 471 HZ3 LYS 4 HZ3 LYS 4 14.540 7.036 -11.386 472 H GLN 5 HN GLN 5 14.541 4.288 -8.131 473 HA GLN 5 HA GLN 5 14.203 1.429 -7.547 474 HB2 GLN 5 HB2 GLN 5 15.563 3.666 -5.987 475 HB3 GLN 5 HB1 GLN 5 15.507 1.979 -5.477 476 HG2 GLN 5 HG2 GLN 5 16.796 2.971 -8.036 477 HG3 GLN 5 HG1 GLN 5 17.662 2.639 -6.537 478 HE21 GLN 5 HE21 GLN 5 17.881 1.432 -9.240 479 HE22 GLN 5 HE22 GLN 5 17.682 -0.266 -9.000 480 H THR 6 HN THR 6 13.144 0.759 -5.586 481 HA THR 6 HA THR 6 10.913 2.516 -4.744 482 HB THR 6 HB THR 6 11.055 -0.537 -4.692 483 HG1 THR 6 HG1 THR 6 10.877 0.715 -6.817 484 HG21 THR 6 HG21 THR 6 9.520 0.353 -2.970 485 HG22 THR 6 HG22 THR 6 8.618 -0.447 -4.261 486 HG23 THR 6 HG23 THR 6 8.692 1.317 -4.197 487 H ALA 7 HN ALA 7 10.683 2.941 -2.616 488 HA ALA 7 HA ALA 7 12.317 1.520 -0.603 489 HB1 ALA 7 HB1 ALA 7 13.354 3.692 -1.032 490 HB2 ALA 7 HB2 ALA 7 12.629 3.667 0.576 491 HB3 ALA 7 HB3 ALA 7 11.817 4.512 -0.744 492 H ARG 8 HN ARG 8 11.331 1.316 1.407 493 HA ARG 8 HA ARG 8 8.381 1.385 1.282 494 HB2 ARG 8 HB2 ARG 8 10.173 -0.416 2.969 495 HB3 ARG 8 HB1 ARG 8 8.432 -0.583 2.721 496 HG2 ARG 8 HG2 ARG 8 8.837 -1.063 0.312 497 HG3 ARG 8 HG1 ARG 8 10.574 -0.916 0.578 498 HD2 ARG 8 HD2 ARG 8 10.445 -2.838 2.175 499 HD3 ARG 8 HD1 ARG 8 8.731 -2.999 1.792 500 HE ARG 8 HE ARG 8 9.265 -3.806 -0.336 501 HH11 ARG 8 HH11 ARG 8 12.204 -3.047 1.453 502 HH12 ARG 8 HH12 ARG 8 13.213 -4.003 0.418 503 HH21 ARG 8 HH21 ARG 8 10.608 -5.039 -1.676 504 HH22 ARG 8 HH22 ARG 8 12.317 -5.097 -1.371 505 H M3L 9 HN M3L 9 7.242 2.356 2.878 506 HA M3L 9 HA M3L 9 8.673 3.665 5.118 507 HB2 M3L 9 HB2 M3L 9 5.887 4.178 3.970 508 HB3 M3L 9 HB1 M3L 9 6.578 5.016 5.357 509 HG2 M3L 9 HG2 M3L 9 8.372 5.926 3.895 510 HG3 M3L 9 HG1 M3L 9 7.614 5.139 2.501 511 HD2 M3L 9 HD2 M3L 9 5.582 6.487 2.809 512 HD3 M3L 9 HD1 M3L 9 6.248 7.203 4.280 513 HE2 M3L 9 HE2 M3L 9 8.095 8.200 2.887 514 HE3 M3L 9 HE1 M3L 9 7.290 7.581 1.444 515 HM11 M3L 9 HH33 M3L 9 6.981 9.988 4.279 516 HM12 M3L 9 HH31 M3L 9 5.501 9.034 4.406 517 HM13 M3L 9 HH32 M3L 9 5.438 10.679 3.770 518 HM21 M3L 9 HH11 M3L 9 7.142 9.950 0.549 519 HM22 M3L 9 HH12 M3L 9 7.940 10.540 2.008 520 HM23 M3L 9 HH13 M3L 9 6.380 11.215 1.520 521 HM31 M3L 9 HH21 M3L 9 4.376 8.164 2.324 522 HM32 M3L 9 HH22 M3L 9 5.054 8.526 0.735 523 HM33 M3L 9 HH23 M3L 9 4.295 9.808 1.682 524 H SER 10 HN SER 10 6.615 3.939 6.915 525 HA SER 10 HA SER 10 6.358 1.427 8.211 526 HB2 SER 10 HB2 SER 10 6.342 3.658 9.373 527 HB3 SER 10 HB1 SER 10 4.741 3.965 8.708 528 HG SER 10 HG SER 10 5.265 2.796 10.952 529 H THR 11 HN THR 11 4.117 0.639 8.960 530 HA THR 11 HA THR 11 2.483 -0.796 8.393 531 HB THR 11 HB THR 11 0.453 0.174 7.274 532 HG1 THR 11 HG1 THR 11 1.858 1.688 5.954 533 HG21 THR 11 HG21 THR 11 0.785 0.469 9.707 534 HG22 THR 11 HG22 THR 11 -0.049 1.857 9.004 535 HG23 THR 11 HG23 THR 11 1.667 1.972 9.405 536 H GLY 12 HN GLY 12 3.914 -2.136 7.269 537 HA2 GLY 12 HA2 GLY 12 3.442 -3.412 5.049 538 HA3 GLY 12 HA1 GLY 12 4.093 -1.937 4.334 539 H GLY 13 HN GLY 13 6.274 -1.588 4.340 540 HA2 GLY 13 HA2 GLY 13 8.518 -1.981 4.548 541 HA3 GLY 13 HA1 GLY 13 8.182 -2.908 6.000 542 H LYS 14 HN LYS 14 6.488 -3.992 3.225 543 HA LYS 14 HA LYS 14 8.454 -6.048 2.485 544 HB2 LYS 14 HB2 LYS 14 5.701 -6.625 3.674 545 HB3 LYS 14 HB1 LYS 14 6.590 -7.818 2.744 546 HG2 LYS 14 HG2 LYS 14 7.943 -6.605 5.145 547 HG3 LYS 14 HG1 LYS 14 6.646 -7.763 5.415 548 HD2 LYS 14 HD2 LYS 14 8.751 -8.945 5.483 549 HD3 LYS 14 HD1 LYS 14 7.882 -9.437 4.035 550 HE2 LYS 14 HE2 LYS 14 10.254 -9.171 3.539 551 HE3 LYS 14 HE1 LYS 14 9.328 -7.940 2.686 552 HZ1 LYS 14 HZ1 LYS 14 10.883 -7.547 5.182 553 HZ2 LYS 14 HZ2 LYS 14 9.935 -6.366 4.443 554 HZ3 LYS 14 HZ3 LYS 14 11.290 -6.976 3.641 555 H ALA 15 HN ALA 15 8.501 -5.970 0.313 556 HA ALA 15 HA ALA 15 6.124 -6.307 -1.288 557 HB1 ALA 15 HB1 ALA 15 7.713 -3.736 -1.659 558 HB2 ALA 15 HB2 ALA 15 6.065 -3.849 -1.036 559 HB3 ALA 15 HB3 ALA 15 6.408 -4.304 -2.708 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 0.384 2.837 -7.828 2 H2 GLY 1 HT2 GLY 1 1.366 4.012 -7.132 3 H3 GLY 1 HT3 GLY 1 0.292 3.140 -6.169 4 HA2 GLY 1 HA1 GLY 1 1.514 1.096 -6.638 5 HA3 GLY 1 HA2 GLY 1 2.648 2.041 -7.599 6 H GLU 2 HN GLU 2 4.159 0.974 -5.999 7 HA GLU 2 HA GLU 2 4.220 1.928 -3.275 8 HB2 GLU 2 HB2 GLU 2 5.095 -0.336 -4.126 9 HB3 GLU 2 HB1 GLU 2 6.441 0.545 -4.839 10 HG2 GLU 2 HG2 GLU 2 7.078 1.347 -2.577 11 HG3 GLU 2 HG1 GLU 2 5.762 0.403 -1.887 12 H PHE 3 HN PHE 3 6.424 3.030 -2.497 13 HA PHE 3 HA PHE 3 6.364 5.581 -3.910 14 HB2 PHE 3 HB2 PHE 3 7.742 4.812 -1.297 15 HB3 PHE 3 HB1 PHE 3 7.539 6.452 -1.908 16 HD1 PHE 3 HD2 PHE 3 5.074 7.236 -2.319 17 HD2 PHE 3 HD1 PHE 3 6.123 3.929 0.185 18 HE1 PHE 3 HE2 PHE 3 2.909 7.420 -1.165 19 HE2 PHE 3 HE1 PHE 3 3.952 4.116 1.330 20 HZ PHE 3 HZ PHE 3 2.346 5.862 0.660 21 H VAL 4 HN VAL 4 7.760 5.914 -5.515 22 HA VAL 4 HA VAL 4 10.321 4.547 -5.680 23 HB VAL 4 HB VAL 4 9.217 6.728 -7.506 24 HG11 VAL 4 HG11 VAL 4 11.659 6.480 -7.693 25 HG12 VAL 4 HG12 VAL 4 10.870 5.885 -9.155 26 HG13 VAL 4 HG13 VAL 4 11.481 4.742 -7.957 27 HG21 VAL 4 HG21 VAL 4 8.518 4.923 -9.036 28 HG22 VAL 4 HG22 VAL 4 7.685 4.801 -7.483 29 HG23 VAL 4 HG23 VAL 4 9.026 3.715 -7.855 30 H VAL 5 HN VAL 5 12.193 5.399 -5.004 31 HA VAL 5 HA VAL 5 12.302 8.240 -4.211 32 HB VAL 5 HB VAL 5 13.028 7.004 -2.352 33 HG11 VAL 5 HG11 VAL 5 14.752 5.227 -4.104 34 HG12 VAL 5 HG12 VAL 5 13.220 4.783 -3.344 35 HG13 VAL 5 HG13 VAL 5 14.625 5.146 -2.339 36 HG21 VAL 5 HG21 VAL 5 14.593 8.831 -2.836 37 HG22 VAL 5 HG22 VAL 5 15.599 7.750 -3.803 38 HG23 VAL 5 HG23 VAL 5 15.438 7.489 -2.065 39 H GLU 6 HN GLU 6 13.134 9.598 -5.600 40 HA GLU 6 HA GLU 6 14.457 9.183 -7.992 41 HB2 GLU 6 HB2 GLU 6 13.450 11.329 -7.349 42 HB3 GLU 6 HB1 GLU 6 14.620 11.542 -6.062 43 HG2 GLU 6 HG2 GLU 6 15.117 12.999 -7.946 44 HG3 GLU 6 HG1 GLU 6 16.413 11.821 -7.717 45 H LYS 7 HN LYS 7 15.907 10.054 -4.836 46 HA LYS 7 HA LYS 7 18.334 8.585 -5.270 47 HB2 LYS 7 HB2 LYS 7 19.868 10.541 -5.358 48 HB3 LYS 7 HB1 LYS 7 18.810 10.474 -6.765 49 HG2 LYS 7 HG2 LYS 7 17.380 12.228 -5.807 50 HG3 LYS 7 HG1 LYS 7 18.397 12.293 -4.360 51 HD2 LYS 7 HD2 LYS 7 19.309 12.930 -7.197 52 HD3 LYS 7 HD1 LYS 7 18.890 14.132 -5.974 53 HE2 LYS 7 HE2 LYS 7 20.775 13.448 -4.592 54 HE3 LYS 7 HE1 LYS 7 21.136 12.102 -5.673 55 HZ1 LYS 7 HZ1 LYS 7 22.614 13.968 -6.031 56 HZ2 LYS 7 HZ2 LYS 7 21.304 14.979 -6.388 57 HZ3 LYS 7 HZ3 LYS 7 21.675 13.681 -7.411 58 H VAL 8 HN VAL 8 19.835 8.827 -3.499 59 HA VAL 8 HA VAL 8 18.610 9.433 -0.925 60 HB VAL 8 HB VAL 8 21.401 8.380 -1.590 61 HG11 VAL 8 HG11 VAL 8 21.569 7.787 0.807 62 HG12 VAL 8 HG12 VAL 8 20.008 8.554 1.110 63 HG13 VAL 8 HG13 VAL 8 21.381 9.530 0.584 64 HG21 VAL 8 HG21 VAL 8 20.562 6.160 -0.877 65 HG22 VAL 8 HG22 VAL 8 19.634 6.775 -2.246 66 HG23 VAL 8 HG23 VAL 8 18.951 6.841 -0.620 67 H LEU 9 HN LEU 9 18.702 11.431 -0.136 68 HA LEU 9 HA LEU 9 20.459 13.450 -1.261 69 HB2 LEU 9 HB2 LEU 9 18.303 13.652 0.879 70 HB3 LEU 9 HB1 LEU 9 19.211 15.023 0.249 71 HG LEU 9 HG LEU 9 17.218 13.290 -1.262 72 HD11 LEU 9 HD11 LEU 9 15.969 15.386 -1.560 73 HD12 LEU 9 HD12 LEU 9 17.158 16.245 -0.576 74 HD13 LEU 9 HD13 LEU 9 16.166 14.973 0.141 75 HD21 LEU 9 HD21 LEU 9 18.998 15.475 -2.394 76 HD22 LEU 9 HD22 LEU 9 17.645 14.711 -3.237 77 HD23 LEU 9 HD23 LEU 9 19.050 13.754 -2.785 78 H ASP 10 HN ASP 10 20.227 11.618 1.746 79 HA ASP 10 HA ASP 10 22.762 12.535 2.722 80 HB2 ASP 10 HB2 ASP 10 21.277 14.522 3.199 81 HB3 ASP 10 HB1 ASP 10 20.278 13.495 4.220 82 H ARG 11 HN ARG 11 23.319 11.564 4.802 83 HA ARG 11 HA ARG 11 21.679 9.224 5.612 84 HB2 ARG 11 HB2 ARG 11 23.796 8.463 4.633 85 HB3 ARG 11 HB1 ARG 11 24.711 9.599 5.617 86 HG2 ARG 11 HG2 ARG 11 23.917 8.311 7.661 87 HG3 ARG 11 HG1 ARG 11 23.256 7.102 6.560 88 HD2 ARG 11 HD2 ARG 11 26.159 7.916 6.413 89 HD3 ARG 11 HD1 ARG 11 25.619 6.737 7.604 90 HE ARG 11 HE ARG 11 24.664 5.712 5.305 91 HH11 ARG 11 HH11 ARG 11 27.855 6.968 6.040 92 HH12 ARG 11 HH12 ARG 11 28.671 5.704 5.181 93 HH21 ARG 11 HH21 ARG 11 25.737 4.079 4.201 94 HH22 ARG 11 HH22 ARG 11 27.470 4.082 4.119 95 H ARG 12 HN ARG 12 21.335 8.942 7.823 96 HA ARG 12 HA ARG 12 22.850 10.590 9.752 97 HB2 ARG 12 HB2 ARG 12 20.934 10.967 11.140 98 HB3 ARG 12 HB1 ARG 12 20.422 11.392 9.509 99 HG2 ARG 12 HG2 ARG 12 19.292 9.189 9.303 100 HG3 ARG 12 HG1 ARG 12 19.790 8.798 10.951 101 HD2 ARG 12 HD2 ARG 12 18.474 10.774 11.760 102 HD3 ARG 12 HD1 ARG 12 17.906 11.025 10.103 103 HE ARG 12 HE ARG 12 17.394 8.358 11.001 104 HH11 ARG 12 HH11 ARG 12 16.122 11.633 11.285 105 HH12 ARG 12 HH12 ARG 12 14.518 11.087 11.643 106 HH21 ARG 12 HH21 ARG 12 15.288 7.682 11.465 107 HH22 ARG 12 HH22 ARG 12 14.050 8.860 11.752 108 H VAL 13 HN VAL 13 23.140 9.506 11.816 109 HA VAL 13 HA VAL 13 22.420 6.629 11.918 110 HB VAL 13 HB VAL 13 24.846 7.952 13.236 111 HG11 VAL 13 HG11 VAL 13 23.942 5.035 13.327 112 HG12 VAL 13 HG12 VAL 13 23.903 6.173 14.679 113 HG13 VAL 13 HG13 VAL 13 25.450 5.662 13.997 114 HG21 VAL 13 HG21 VAL 13 25.209 7.647 10.823 115 HG22 VAL 13 HG22 VAL 13 24.733 5.950 10.936 116 HG23 VAL 13 HG23 VAL 13 26.207 6.509 11.732 117 H VAL 14 HN VAL 14 20.661 6.578 13.133 118 HA VAL 14 HA VAL 14 20.600 7.979 15.746 119 HB VAL 14 HB VAL 14 18.310 7.535 13.775 120 HG11 VAL 14 HG11 VAL 14 16.742 8.442 15.467 121 HG12 VAL 14 HG12 VAL 14 18.031 8.418 16.674 122 HG13 VAL 14 HG13 VAL 14 17.440 6.905 15.983 123 HG21 VAL 14 HG21 VAL 14 19.324 10.078 15.100 124 HG22 VAL 14 HG22 VAL 14 17.996 9.973 13.941 125 HG23 VAL 14 HG23 VAL 14 19.641 9.588 13.433 126 H ASN 15 HN ASN 15 20.377 6.690 17.430 127 HA ASN 15 HA ASN 15 20.196 4.904 18.781 128 HB2 ASN 15 HB2 ASN 15 18.321 3.750 16.677 129 HB3 ASN 15 HB1 ASN 15 18.460 3.186 18.341 130 HD21 ASN 15 HD21 ASN 15 16.166 4.292 16.832 131 HD22 ASN 15 HD22 ASN 15 15.588 5.612 17.780 132 H GLY 16 HN GLY 16 22.219 5.029 16.615 133 HA2 GLY 16 HA2 GLY 16 24.062 3.763 16.034 134 HA3 GLY 16 HA1 GLY 16 23.371 2.387 16.872 135 H LYS 17 HN LYS 17 21.132 3.677 14.689 136 HA LYS 17 HA LYS 17 21.645 1.552 12.738 137 HB2 LYS 17 HB2 LYS 17 19.524 1.097 13.478 138 HB3 LYS 17 HB1 LYS 17 19.196 2.748 13.981 139 HG2 LYS 17 HG2 LYS 17 18.759 3.386 11.684 140 HG3 LYS 17 HG1 LYS 17 19.131 1.752 11.119 141 HD2 LYS 17 HD2 LYS 17 16.805 2.582 12.911 142 HD3 LYS 17 HD1 LYS 17 16.699 2.074 11.222 143 HE2 LYS 17 HE2 LYS 17 17.539 0.339 13.577 144 HE3 LYS 17 HE1 LYS 17 16.014 0.247 12.693 145 HZ1 LYS 17 HZ1 LYS 17 17.547 -1.462 11.990 146 HZ2 LYS 17 HZ2 LYS 17 18.706 -0.313 11.564 147 HZ3 LYS 17 HZ3 LYS 17 17.243 -0.398 10.712 148 H VAL 18 HN VAL 18 21.631 1.993 10.591 149 HA VAL 18 HA VAL 18 22.387 4.721 9.807 150 HB VAL 18 HB VAL 18 22.596 2.105 8.237 151 HG11 VAL 18 HG11 VAL 18 23.770 4.845 7.611 152 HG12 VAL 18 HG12 VAL 18 22.469 4.046 6.727 153 HG13 VAL 18 HG13 VAL 18 24.095 3.362 6.707 154 HG21 VAL 18 HG21 VAL 18 24.065 2.079 10.216 155 HG22 VAL 18 HG22 VAL 18 24.754 3.636 9.752 156 HG23 VAL 18 HG23 VAL 18 25.031 2.212 8.742 157 H GLU 19 HN GLU 19 20.927 6.004 8.913 158 HA GLU 19 HA GLU 19 18.672 4.930 7.330 159 HB2 GLU 19 HB2 GLU 19 18.538 7.200 9.367 160 HB3 GLU 19 HB1 GLU 19 17.211 6.677 8.325 161 HG2 GLU 19 HG2 GLU 19 17.182 4.495 9.420 162 HG3 GLU 19 HG1 GLU 19 18.561 4.939 10.417 163 H TYR 20 HN TYR 20 17.704 6.672 5.926 164 HA TYR 20 HA TYR 20 19.698 8.571 4.890 165 HB2 TYR 20 HB2 TYR 20 18.340 6.408 3.209 166 HB3 TYR 20 HB1 TYR 20 19.327 7.707 2.565 167 HD1 TYR 20 HD1 TYR 20 21.799 7.817 3.304 168 HD2 TYR 20 HD2 TYR 20 19.383 4.339 3.836 169 HE1 TYR 20 HE1 TYR 20 23.820 6.447 3.548 170 HE2 TYR 20 HE2 TYR 20 21.415 2.968 4.053 171 HH TYR 20 HH TYR 20 23.754 3.031 3.443 172 H PHE 21 HN PHE 21 18.737 10.440 4.199 173 HA PHE 21 HA PHE 21 15.861 10.733 4.232 174 HB2 PHE 21 HB2 PHE 21 17.495 12.552 4.955 175 HB3 PHE 21 HB1 PHE 21 17.951 12.748 3.267 176 HD1 PHE 21 HD1 PHE 21 14.936 12.767 5.487 177 HD2 PHE 21 HD2 PHE 21 16.790 14.357 1.979 178 HE1 PHE 21 HE1 PHE 21 13.068 14.333 5.202 179 HE2 PHE 21 HE2 PHE 21 14.912 15.924 1.704 180 HZ PHE 21 HZ PHE 21 13.050 15.909 3.312 181 H LEU 22 HN LEU 22 14.771 9.845 2.614 182 HA LEU 22 HA LEU 22 15.933 9.486 -0.037 183 HB2 LEU 22 HB2 LEU 22 13.229 8.669 1.090 184 HB3 LEU 22 HB1 LEU 22 13.813 8.272 -0.520 185 HG LEU 22 HG LEU 22 14.749 7.185 2.143 186 HD11 LEU 22 HD11 LEU 22 12.781 6.189 1.020 187 HD12 LEU 22 HD12 LEU 22 14.106 5.071 1.186 188 HD13 LEU 22 HD13 LEU 22 13.782 5.803 -0.379 189 HD21 LEU 22 HD21 LEU 22 16.806 7.690 0.902 190 HD22 LEU 22 HD22 LEU 22 16.193 6.839 -0.516 191 HD23 LEU 22 HD23 LEU 22 16.537 5.949 0.967 192 H LYS 23 HN LYS 23 15.652 11.029 -1.560 193 HA LYS 23 HA LYS 23 13.437 12.868 -1.571 194 HB2 LYS 23 HB2 LYS 23 15.850 13.195 -2.635 195 HB3 LYS 23 HB1 LYS 23 15.199 12.298 -3.995 196 HG2 LYS 23 HG2 LYS 23 14.109 14.917 -2.898 197 HG3 LYS 23 HG1 LYS 23 15.128 14.753 -4.334 198 HD2 LYS 23 HD2 LYS 23 13.363 13.468 -5.458 199 HD3 LYS 23 HD1 LYS 23 12.359 13.523 -4.000 200 HE2 LYS 23 HE2 LYS 23 13.219 15.974 -5.575 201 HE3 LYS 23 HE1 LYS 23 11.654 15.169 -5.726 202 HZ1 LYS 23 HZ1 LYS 23 12.747 16.472 -3.289 203 HZ2 LYS 23 HZ2 LYS 23 11.295 15.603 -3.343 204 HZ3 LYS 23 HZ3 LYS 23 11.465 17.021 -4.248 205 H TRP 24 HN TRP 24 11.529 11.615 -1.656 206 HA TRP 24 HA TRP 24 11.026 9.513 -3.465 207 HB2 TRP 24 HB2 TRP 24 9.018 11.493 -2.319 208 HB3 TRP 24 HB1 TRP 24 8.623 9.948 -3.061 209 HD1 TRP 24 HD1 TRP 24 8.889 11.419 0.217 210 HE1 TRP 24 HE1 TRP 24 9.198 9.646 2.051 211 HE3 TRP 24 HE3 TRP 24 10.251 7.446 -2.691 212 HZ2 TRP 24 HZ2 TRP 24 9.902 6.938 2.257 213 HZ3 TRP 24 HZ3 TRP 24 10.714 5.293 -1.601 214 HH2 TRP 24 HH2 TRP 24 10.547 5.043 0.825 215 H LYS 25 HN LYS 25 10.497 9.529 -5.598 216 HA LYS 25 HA LYS 25 11.719 11.414 -7.170 217 HB2 LYS 25 HB2 LYS 25 11.338 9.015 -7.718 218 HB3 LYS 25 HB1 LYS 25 9.642 9.369 -8.025 219 HG2 LYS 25 HG2 LYS 25 10.336 10.881 -9.887 220 HG3 LYS 25 HG1 LYS 25 12.017 10.437 -9.586 221 HD2 LYS 25 HD2 LYS 25 11.161 9.138 -11.459 222 HD3 LYS 25 HD1 LYS 25 11.467 8.061 -10.094 223 HE2 LYS 25 HE2 LYS 25 9.046 8.067 -9.559 224 HE3 LYS 25 HE1 LYS 25 8.749 9.151 -10.921 225 HZ1 LYS 25 HZ1 LYS 25 9.838 6.394 -11.104 226 HZ2 LYS 25 HZ2 LYS 25 9.569 7.434 -12.412 227 HZ3 LYS 25 HZ3 LYS 25 8.263 6.874 -11.496 228 H GLY 26 HN GLY 26 8.170 10.909 -6.939 229 HA2 GLY 26 HA2 GLY 26 7.710 13.472 -8.357 230 HA3 GLY 26 HA1 GLY 26 6.562 12.153 -8.202 231 H PHE 27 HN PHE 27 8.456 13.337 -5.478 232 HA PHE 27 HA PHE 27 6.121 14.742 -4.342 233 HB2 PHE 27 HB2 PHE 27 7.753 12.629 -2.871 234 HB3 PHE 27 HB1 PHE 27 6.512 13.632 -2.134 235 HD1 PHE 27 HD2 PHE 27 4.095 13.374 -2.931 236 HD2 PHE 27 HD1 PHE 27 7.151 10.567 -3.982 237 HE1 PHE 27 HE2 PHE 27 2.373 11.689 -3.472 238 HE2 PHE 27 HE1 PHE 27 5.423 8.896 -4.519 239 HZ PHE 27 HZ PHE 27 3.037 9.456 -4.265 240 H THR 28 HN THR 28 6.616 16.433 -2.985 241 HA THR 28 HA THR 28 8.991 17.869 -3.521 242 HB THR 28 HB THR 28 8.074 19.543 -1.889 243 HG1 THR 28 HG1 THR 28 6.200 17.445 -1.411 244 HG21 THR 28 HG21 THR 28 7.234 19.587 -4.223 245 HG22 THR 28 HG22 THR 28 5.974 20.055 -3.081 246 HG23 THR 28 HG23 THR 28 5.963 18.439 -3.789 247 H ASP 29 HN ASP 29 10.496 18.784 -1.901 248 HA ASP 29 HA ASP 29 11.834 16.755 -0.461 249 HB2 ASP 29 HB2 ASP 29 13.374 18.544 0.298 250 HB3 ASP 29 HB1 ASP 29 13.062 18.631 -1.431 251 H ALA 30 HN ALA 30 9.630 19.294 0.598 252 HA ALA 30 HA ALA 30 9.916 18.945 3.412 253 HB1 ALA 30 HB1 ALA 30 7.840 20.266 3.588 254 HB2 ALA 30 HB2 ALA 30 7.563 20.068 1.853 255 HB3 ALA 30 HB3 ALA 30 8.957 20.985 2.425 256 H ASP 31 HN ASP 31 8.336 17.116 1.003 257 HA ASP 31 HA ASP 31 6.587 15.644 2.856 258 HB2 ASP 31 HB2 ASP 31 5.677 16.572 0.705 259 HB3 ASP 31 HB1 ASP 31 6.802 15.546 -0.181 260 H ASN 32 HN ASN 32 9.606 15.400 1.158 261 HA ASN 32 HA ASN 32 9.892 12.575 1.079 262 HB2 ASN 32 HB2 ASN 32 11.980 14.783 1.119 263 HB3 ASN 32 HB1 ASN 32 12.341 13.094 0.796 264 HD21 ASN 32 HD21 ASN 32 9.707 12.883 -0.759 265 HD22 ASN 32 HD22 ASN 32 10.077 13.605 -2.278 266 H THR 33 HN THR 33 11.230 11.195 2.475 267 HA THR 33 HA THR 33 11.038 12.015 5.333 268 HB THR 33 HB THR 33 10.140 9.694 5.816 269 HG1 THR 33 HG1 THR 33 10.293 8.351 4.198 270 HG21 THR 33 HG21 THR 33 7.820 10.104 5.082 271 HG22 THR 33 HG22 THR 33 8.388 11.346 3.964 272 HG23 THR 33 HG23 THR 33 8.556 11.585 5.705 273 H TRP 34 HN TRP 34 12.189 10.592 6.833 274 HA TRP 34 HA TRP 34 14.755 9.587 5.865 275 HB2 TRP 34 HB2 TRP 34 13.585 9.897 8.660 276 HB3 TRP 34 HB1 TRP 34 15.155 9.164 8.354 277 HD1 TRP 34 HD1 TRP 34 13.459 12.548 8.676 278 HE1 TRP 34 HE1 TRP 34 15.255 14.387 8.554 279 HE3 TRP 34 HE3 TRP 34 17.440 9.704 7.156 280 HZ2 TRP 34 HZ2 TRP 34 17.988 14.609 7.894 281 HZ3 TRP 34 HZ3 TRP 34 19.614 10.809 6.796 282 HH2 TRP 34 HH2 TRP 34 19.878 13.213 7.157 283 H GLU 35 HN GLU 35 14.890 7.524 5.189 284 HA GLU 35 HA GLU 35 13.294 5.417 6.491 285 HB2 GLU 35 HB2 GLU 35 14.185 5.582 3.593 286 HB3 GLU 35 HB1 GLU 35 13.369 4.194 4.310 287 HG2 GLU 35 HG2 GLU 35 12.251 6.960 3.777 288 HG3 GLU 35 HG1 GLU 35 11.740 5.426 3.077 289 HA PRO 36 HA PRO 36 17.367 3.666 7.434 290 HB2 PRO 36 HB2 PRO 36 16.544 1.205 8.327 291 HB3 PRO 36 HB1 PRO 36 16.382 2.681 9.292 292 HG2 PRO 36 HG2 PRO 36 14.308 1.272 7.615 293 HG3 PRO 36 HG1 PRO 36 14.151 1.958 9.247 294 HD2 PRO 36 HD2 PRO 36 13.280 3.275 7.023 295 HD3 PRO 36 HD1 PRO 36 13.898 4.136 8.447 296 H GLU 37 HN GLU 37 18.780 2.088 6.586 297 HA GLU 37 HA GLU 37 18.697 1.548 3.879 298 HB2 GLU 37 HB2 GLU 37 20.528 -0.282 4.535 299 HB3 GLU 37 HB1 GLU 37 20.855 1.431 4.657 300 HG2 GLU 37 HG2 GLU 37 21.729 0.197 6.572 301 HG3 GLU 37 HG1 GLU 37 20.536 1.391 7.056 302 H GLU 38 HN GLU 38 17.388 -0.398 6.437 303 HA GLU 38 HA GLU 38 17.108 -2.848 5.031 304 HB2 GLU 38 HB2 GLU 38 15.619 -3.495 6.902 305 HB3 GLU 38 HB1 GLU 38 17.090 -2.723 7.489 306 HG2 GLU 38 HG2 GLU 38 15.823 -0.603 7.776 307 HG3 GLU 38 HG1 GLU 38 14.354 -1.433 7.263 308 H ASN 39 HN ASN 39 15.073 0.025 5.341 309 HA ASN 39 HA ASN 39 12.743 -1.244 4.102 310 HB2 ASN 39 HB2 ASN 39 12.653 0.321 6.167 311 HB3 ASN 39 HB1 ASN 39 12.943 1.645 5.046 312 HD21 ASN 39 HD21 ASN 39 10.898 2.517 5.666 313 HD22 ASN 39 HD22 ASN 39 9.424 1.870 5.051 314 H LEU 40 HN LEU 40 15.496 0.075 2.913 315 HA LEU 40 HA LEU 40 14.338 1.477 0.608 316 HB2 LEU 40 HB2 LEU 40 17.255 0.632 0.919 317 HB3 LEU 40 HB1 LEU 40 16.594 1.885 -0.121 318 HG LEU 40 HG LEU 40 17.082 1.969 2.865 319 HD11 LEU 40 HD11 LEU 40 18.953 2.634 1.484 320 HD12 LEU 40 HD12 LEU 40 18.307 4.032 2.331 321 HD13 LEU 40 HD13 LEU 40 17.954 3.803 0.616 322 HD21 LEU 40 HD21 LEU 40 15.403 3.933 1.322 323 HD22 LEU 40 HD22 LEU 40 15.966 4.143 2.980 324 HD23 LEU 40 HD23 LEU 40 14.843 2.846 2.589 325 H ASP 41 HN ASP 41 13.689 0.342 -1.192 326 HA ASP 41 HA ASP 41 14.400 -2.482 -1.474 327 HB2 ASP 41 HB2 ASP 41 12.089 -1.817 -1.972 328 HB3 ASP 41 HB1 ASP 41 12.641 -0.680 -3.188 329 H CYS 42 HN CYS 42 15.103 0.621 -2.954 330 HA CYS 42 HA CYS 42 16.743 -0.269 -5.117 331 HB2 CYS 42 HB2 CYS 42 17.494 2.146 -5.113 332 HB3 CYS 42 HB1 CYS 42 15.750 1.941 -5.169 333 HG CYS 42 HG CYS 42 15.171 2.932 -2.794 334 HA PRO 43 HA PRO 43 20.436 -0.766 -2.329 335 HB2 PRO 43 HB2 PRO 43 21.693 -2.749 -3.643 336 HB3 PRO 43 HB1 PRO 43 20.261 -3.085 -2.660 337 HG2 PRO 43 HG2 PRO 43 20.494 -2.812 -5.646 338 HG3 PRO 43 HG1 PRO 43 19.548 -3.980 -4.698 339 HD2 PRO 43 HD2 PRO 43 18.528 -1.633 -5.840 340 HD3 PRO 43 HD1 PRO 43 17.763 -2.530 -4.522 341 H GLU 44 HN GLU 44 20.037 -0.017 -5.676 342 HA GLU 44 HA GLU 44 22.785 0.373 -6.390 343 HB2 GLU 44 HB2 GLU 44 20.958 -0.325 -7.981 344 HB3 GLU 44 HB1 GLU 44 20.267 1.287 -7.848 345 HG2 GLU 44 HG2 GLU 44 22.256 2.268 -8.857 346 HG3 GLU 44 HG1 GLU 44 23.058 0.704 -8.888 347 H LEU 45 HN LEU 45 20.098 2.477 -5.359 348 HA LEU 45 HA LEU 45 21.449 4.969 -5.755 349 HB2 LEU 45 HB2 LEU 45 19.126 4.278 -3.920 350 HB3 LEU 45 HB1 LEU 45 19.695 5.916 -4.225 351 HG LEU 45 HG LEU 45 18.365 4.040 -6.224 352 HD11 LEU 45 HD11 LEU 45 16.826 5.072 -4.640 353 HD12 LEU 45 HD12 LEU 45 16.593 5.749 -6.249 354 HD13 LEU 45 HD13 LEU 45 17.460 6.675 -5.021 355 HD21 LEU 45 HD21 LEU 45 19.511 6.814 -6.721 356 HD22 LEU 45 HD22 LEU 45 18.521 5.888 -7.856 357 HD23 LEU 45 HD23 LEU 45 20.111 5.293 -7.391 358 H ILE 46 HN ILE 46 21.318 2.637 -3.121 359 HA ILE 46 HA ILE 46 22.532 4.247 -1.091 360 HB ILE 46 HB ILE 46 22.680 1.199 -1.288 361 HG12 ILE 46 HG12 ILE 46 20.448 2.847 -0.008 362 HG13 ILE 46 HG11 ILE 46 20.309 1.976 -1.532 363 HG21 ILE 46 HG21 ILE 46 22.824 1.280 1.183 364 HG22 ILE 46 HG22 ILE 46 22.774 3.043 1.133 365 HG23 ILE 46 HG23 ILE 46 24.146 2.180 0.432 366 HD11 ILE 46 HD11 ILE 46 19.263 0.744 0.261 367 HD12 ILE 46 HD12 ILE 46 20.758 0.750 1.192 368 HD13 ILE 46 HD13 ILE 46 20.667 -0.145 -0.329 369 H GLU 47 HN GLU 47 23.733 1.828 -3.393 370 HA GLU 47 HA GLU 47 26.466 1.885 -2.734 371 HB2 GLU 47 HB2 GLU 47 25.476 0.082 -4.102 372 HB3 GLU 47 HB1 GLU 47 25.144 1.221 -5.403 373 HG2 GLU 47 HG2 GLU 47 27.559 1.577 -5.719 374 HG3 GLU 47 HG1 GLU 47 27.906 0.471 -4.401 375 H ALA 48 HN ALA 48 24.588 3.703 -5.141 376 HA ALA 48 HA ALA 48 26.757 5.093 -6.318 377 HB1 ALA 48 HB1 ALA 48 24.594 4.813 -7.459 378 HB2 ALA 48 HB2 ALA 48 25.033 6.520 -7.359 379 HB3 ALA 48 HB3 ALA 48 23.817 5.852 -6.263 380 H PHE 49 HN PHE 49 24.650 5.813 -3.573 381 HA PHE 49 HA PHE 49 25.465 8.457 -2.975 382 HB2 PHE 49 HB2 PHE 49 23.487 7.607 -1.897 383 HB3 PHE 49 HB1 PHE 49 24.340 6.205 -1.263 384 HD1 PHE 49 HD1 PHE 49 24.223 9.946 -0.990 385 HD2 PHE 49 HD2 PHE 49 25.170 6.254 0.949 386 HE1 PHE 49 HE1 PHE 49 24.647 11.151 1.112 387 HE2 PHE 49 HE2 PHE 49 25.586 7.468 3.047 388 HZ PHE 49 HZ PHE 49 25.336 9.910 3.122 389 H LEU 50 HN LEU 50 26.774 5.298 -2.068 390 HA LEU 50 HA LEU 50 28.867 6.284 -0.365 391 HB2 LEU 50 HB2 LEU 50 28.513 3.583 -1.742 392 HB3 LEU 50 HB1 LEU 50 29.727 3.925 -0.511 393 HG LEU 50 HG LEU 50 26.715 4.045 -0.069 394 HD11 LEU 50 HD11 LEU 50 28.676 1.911 0.821 395 HD12 LEU 50 HD12 LEU 50 27.437 1.741 -0.425 396 HD13 LEU 50 HD13 LEU 50 26.965 2.000 1.252 397 HD21 LEU 50 HD21 LEU 50 27.892 5.617 1.369 398 HD22 LEU 50 HD22 LEU 50 29.000 4.349 1.905 399 HD23 LEU 50 HD23 LEU 50 27.286 4.262 2.319 400 H ASN 51 HN ASN 51 28.570 5.486 -3.795 401 HA ASN 51 HA ASN 51 31.373 5.683 -4.438 402 HB2 ASN 51 HB2 ASN 51 28.905 5.567 -6.211 403 HB3 ASN 51 HB1 ASN 51 30.552 5.573 -6.837 404 HD21 ASN 51 HD21 ASN 51 28.503 3.561 -7.152 405 HD22 ASN 51 HD22 ASN 51 29.145 2.094 -6.512 406 H SER 52 HN SER 52 28.800 7.923 -4.032 407 HA SER 52 HA SER 52 29.904 10.149 -5.445 408 HB2 SER 52 HB2 SER 52 27.534 10.071 -4.664 409 HB3 SER 52 HB1 SER 52 28.085 10.132 -2.992 410 HG SER 52 HG SER 52 28.501 12.124 -4.972 411 H GLN 53 HN GLN 53 30.278 8.778 -2.225 412 HA GLN 53 HA GLN 53 32.090 10.788 -1.195 413 HB2 GLN 53 HB2 GLN 53 31.565 7.964 -0.168 414 HB3 GLN 53 HB1 GLN 53 32.283 9.298 0.740 415 HG2 GLN 53 HG2 GLN 53 30.158 10.481 0.756 416 HG3 GLN 53 HG1 GLN 53 29.434 9.278 -0.314 417 HE21 GLN 53 HE21 GLN 53 27.810 8.723 1.102 418 HE22 GLN 53 HE22 GLN 53 28.091 7.875 2.581 419 H LYS 54 HN LYS 54 32.282 7.681 -2.807 420 HA LYS 54 HA LYS 54 35.177 7.397 -2.421 421 HB2 LYS 54 HB2 LYS 54 33.033 5.547 -3.547 422 HB3 LYS 54 HB1 LYS 54 34.748 5.146 -3.551 423 HG2 LYS 54 HG2 LYS 54 33.175 5.771 -1.028 424 HG3 LYS 54 HG1 LYS 54 33.382 4.134 -1.664 425 HD2 LYS 54 HD2 LYS 54 35.649 6.002 -0.826 426 HD3 LYS 54 HD1 LYS 54 35.003 4.684 0.158 427 HE2 LYS 54 HE2 LYS 54 35.723 3.045 -1.518 428 HE3 LYS 54 HE1 LYS 54 36.300 4.337 -2.574 429 HZ1 LYS 54 HZ1 LYS 54 37.351 3.752 0.134 430 HZ2 LYS 54 HZ2 LYS 54 37.935 4.927 -0.938 431 HZ3 LYS 54 HZ3 LYS 54 38.076 3.283 -1.318 432 H1 ALA 1 HT1 ALA 1 11.433 -1.301 -17.151 433 H2 ALA 1 HT2 ALA 1 10.553 -0.550 -15.915 434 H3 ALA 1 HT3 ALA 1 9.806 -0.904 -17.384 435 HA ALA 1 HA ALA 1 9.168 -2.439 -15.612 436 HB1 ALA 1 HB1 ALA 1 9.062 -3.151 -17.970 437 HB2 ALA 1 HB2 ALA 1 9.502 -4.504 -16.929 438 HB3 ALA 1 HB3 ALA 1 10.741 -3.698 -17.892 439 H ARG 2 HN ARG 2 9.762 -3.871 -13.980 440 HA ARG 2 HA ARG 2 10.999 -4.752 -12.283 441 HB2 ARG 2 HB2 ARG 2 13.119 -5.166 -14.435 442 HB3 ARG 2 HB1 ARG 2 13.051 -5.993 -12.878 443 HG2 ARG 2 HG2 ARG 2 10.984 -7.128 -13.527 444 HG3 ARG 2 HG1 ARG 2 10.934 -6.235 -15.051 445 HD2 ARG 2 HD2 ARG 2 13.081 -7.309 -15.708 446 HD3 ARG 2 HD1 ARG 2 13.056 -8.240 -14.206 447 HE ARG 2 HE ARG 2 10.779 -8.499 -16.059 448 HH11 ARG 2 HH11 ARG 2 13.605 -9.980 -14.585 449 HH12 ARG 2 HH12 ARG 2 13.244 -11.564 -15.181 450 HH21 ARG 2 HH21 ARG 2 10.317 -10.586 -16.865 451 HH22 ARG 2 HH22 ARG 2 11.381 -11.901 -16.500 452 H THR 3 HN THR 3 11.143 -1.902 -12.679 453 HA THR 3 HA THR 3 13.850 -0.949 -12.474 454 HB THR 3 HB THR 3 12.708 1.310 -12.189 455 HG1 THR 3 HG1 THR 3 10.755 0.703 -11.283 456 HG21 THR 3 HG21 THR 3 11.791 -0.329 -14.585 457 HG22 THR 3 HG22 THR 3 13.350 0.486 -14.447 458 HG23 THR 3 HG23 THR 3 11.861 1.433 -14.509 459 H LYS 4 HN LYS 4 14.726 -1.830 -10.621 460 HA LYS 4 HA LYS 4 13.457 -1.556 -8.038 461 HB2 LYS 4 HB2 LYS 4 14.772 -3.564 -8.594 462 HB3 LYS 4 HB1 LYS 4 16.222 -2.584 -8.774 463 HG2 LYS 4 HG2 LYS 4 16.327 -2.107 -6.449 464 HG3 LYS 4 HG1 LYS 4 14.684 -2.688 -6.172 465 HD2 LYS 4 HD2 LYS 4 17.006 -4.459 -7.039 466 HD3 LYS 4 HD1 LYS 4 16.484 -4.251 -5.364 467 HE2 LYS 4 HE2 LYS 4 14.810 -5.407 -7.629 468 HE3 LYS 4 HE1 LYS 4 15.562 -6.317 -6.318 469 HZ1 LYS 4 HZ1 LYS 4 14.169 -5.113 -4.738 470 HZ2 LYS 4 HZ2 LYS 4 13.231 -5.937 -5.871 471 HZ3 LYS 4 HZ3 LYS 4 13.433 -4.262 -5.999 472 H GLN 5 HN GLN 5 13.210 0.695 -8.114 473 HA GLN 5 HA GLN 5 15.444 2.175 -6.904 474 HB2 GLN 5 HB2 GLN 5 15.294 2.700 -9.392 475 HB3 GLN 5 HB1 GLN 5 13.677 3.318 -9.101 476 HG2 GLN 5 HG2 GLN 5 14.651 5.010 -7.552 477 HG3 GLN 5 HG1 GLN 5 16.259 4.419 -7.960 478 HE21 GLN 5 HE21 GLN 5 15.056 7.070 -8.300 479 HE22 GLN 5 HE22 GLN 5 15.215 7.454 -9.977 480 H THR 6 HN THR 6 12.865 0.803 -6.159 481 HA THR 6 HA THR 6 11.136 2.969 -5.201 482 HB THR 6 HB THR 6 9.589 0.992 -4.614 483 HG1 THR 6 HG1 THR 6 11.542 -0.515 -4.893 484 HG21 THR 6 HG21 THR 6 8.841 0.644 -6.940 485 HG22 THR 6 HG22 THR 6 10.349 1.341 -7.530 486 HG23 THR 6 HG23 THR 6 9.206 2.346 -6.634 487 H ALA 7 HN ALA 7 10.024 2.273 -3.056 488 HA ALA 7 HA ALA 7 11.304 0.858 -1.017 489 HB1 ALA 7 HB1 ALA 7 12.128 2.694 0.427 490 HB2 ALA 7 HB2 ALA 7 11.782 3.868 -0.848 491 HB3 ALA 7 HB3 ALA 7 13.029 2.643 -1.091 492 H ARG 8 HN ARG 8 10.379 1.859 1.205 493 HA ARG 8 HA ARG 8 7.537 2.616 0.826 494 HB2 ARG 8 HB2 ARG 8 7.794 0.155 1.287 495 HB3 ARG 8 HB1 ARG 8 8.644 0.544 2.777 496 HG2 ARG 8 HG2 ARG 8 6.515 1.764 3.508 497 HG3 ARG 8 HG1 ARG 8 5.722 1.014 2.118 498 HD2 ARG 8 HD2 ARG 8 5.336 -0.284 4.184 499 HD3 ARG 8 HD1 ARG 8 6.272 -1.218 3.013 500 HE ARG 8 HE ARG 8 8.171 -1.040 4.355 501 HH11 ARG 8 HH11 ARG 8 5.530 0.750 5.829 502 HH12 ARG 8 HH12 ARG 8 6.341 0.908 7.349 503 HH21 ARG 8 HH21 ARG 8 9.222 -0.834 6.348 504 HH22 ARG 8 HH22 ARG 8 8.448 0.014 7.652 505 H M3L 9 HN M3L 9 6.653 3.792 2.659 506 HA M3L 9 HA M3L 9 8.609 5.326 4.179 507 HB2 M3L 9 HB2 M3L 9 5.574 5.554 4.052 508 HB3 M3L 9 HB1 M3L 9 6.644 6.668 4.911 509 HG2 M3L 9 HG2 M3L 9 7.739 7.217 2.729 510 HG3 M3L 9 HG1 M3L 9 6.556 6.181 1.914 511 HD2 M3L 9 HD2 M3L 9 4.730 7.642 2.794 512 HD3 M3L 9 HD1 M3L 9 5.953 8.695 3.523 513 HE2 M3L 9 HE2 M3L 9 6.916 9.070 1.241 514 HE3 M3L 9 HE1 M3L 9 5.610 8.096 0.561 515 HM11 M3L 9 HH33 M3L 9 6.246 10.921 -0.249 516 HM12 M3L 9 HH31 M3L 9 4.605 11.566 -0.197 517 HM13 M3L 9 HH32 M3L 9 4.901 9.968 -0.887 518 HM21 M3L 9 HH11 M3L 9 4.810 11.941 2.259 519 HM22 M3L 9 HH12 M3L 9 6.452 11.295 2.240 520 HM23 M3L 9 HH13 M3L 9 5.248 10.609 3.334 521 HM31 M3L 9 HH21 M3L 9 3.361 9.237 2.435 522 HM32 M3L 9 HH22 M3L 9 3.216 8.955 0.699 523 HM33 M3L 9 HH23 M3L 9 2.905 10.562 1.358 524 H SER 10 HN SER 10 8.896 5.244 6.302 525 HA SER 10 HA SER 10 8.138 2.930 7.804 526 HB2 SER 10 HB2 SER 10 9.431 4.126 9.642 527 HB3 SER 10 HB1 SER 10 10.346 3.870 8.156 528 HG SER 10 HG SER 10 10.163 6.012 7.654 529 H THR 11 HN THR 11 6.893 2.914 9.764 530 HA THR 11 HA THR 11 4.640 4.791 9.824 531 HB THR 11 HB THR 11 3.657 3.097 11.445 532 HG1 THR 11 HG1 THR 11 5.570 2.217 12.278 533 HG21 THR 11 HG21 THR 11 4.615 1.888 8.809 534 HG22 THR 11 HG22 THR 11 3.172 2.886 9.008 535 HG23 THR 11 HG23 THR 11 3.264 1.305 9.785 536 H GLY 12 HN GLY 12 7.305 5.658 10.683 537 HA2 GLY 12 HA2 GLY 12 7.550 5.771 13.515 538 HA3 GLY 12 HA1 GLY 12 8.375 6.801 12.354 539 H GLY 13 HN GLY 13 6.397 8.176 11.120 540 HA2 GLY 13 HA2 GLY 13 4.821 9.849 11.234 541 HA3 GLY 13 HA1 GLY 13 4.277 9.171 12.758 542 H LYS 14 HN LYS 14 5.333 9.828 14.702 543 HA LYS 14 HA LYS 14 6.367 12.555 14.739 544 HB2 LYS 14 HB2 LYS 14 5.517 10.584 16.890 545 HB3 LYS 14 HB1 LYS 14 6.458 12.001 17.323 546 HG2 LYS 14 HG2 LYS 14 4.094 12.426 17.685 547 HG3 LYS 14 HG1 LYS 14 4.728 13.480 16.423 548 HD2 LYS 14 HD2 LYS 14 3.735 11.928 14.707 549 HD3 LYS 14 HD1 LYS 14 3.009 10.996 16.022 550 HE2 LYS 14 HE2 LYS 14 1.379 12.563 15.042 551 HE3 LYS 14 HE1 LYS 14 1.719 12.995 16.718 552 HZ1 LYS 14 HZ1 LYS 14 2.883 14.308 14.314 553 HZ2 LYS 14 HZ2 LYS 14 3.233 14.720 15.916 554 HZ3 LYS 14 HZ3 LYS 14 1.675 14.941 15.309 555 H ALA 15 HN ALA 15 7.582 9.307 14.869 556 HA ALA 15 HA ALA 15 10.227 9.930 15.834 557 HB1 ALA 15 HB1 ALA 15 9.331 7.667 16.116 558 HB2 ALA 15 HB2 ALA 15 10.799 7.622 15.141 559 HB3 ALA 15 HB3 ALA 15 9.223 7.463 14.367 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 3.024 0.679 2.049 2 H2 GLY 1 HT2 GLY 1 1.785 1.791 2.337 3 H3 GLY 1 HT3 GLY 1 3.395 2.237 2.566 4 HA2 GLY 1 HA1 GLY 1 2.187 1.514 -0.036 5 HA3 GLY 1 HA2 GLY 1 2.501 3.156 0.514 6 H GLU 2 HN GLU 2 3.684 0.949 -1.539 7 HA GLU 2 HA GLU 2 6.546 1.449 -1.108 8 HB2 GLU 2 HB2 GLU 2 5.070 -0.065 -3.304 9 HB3 GLU 2 HB1 GLU 2 6.827 0.036 -3.148 10 HG2 GLU 2 HG2 GLU 2 6.675 -1.139 -0.963 11 HG3 GLU 2 HG1 GLU 2 4.922 -1.257 -1.160 12 H PHE 3 HN PHE 3 7.358 3.325 -1.825 13 HA PHE 3 HA PHE 3 6.162 4.672 -4.178 14 HB2 PHE 3 HB2 PHE 3 7.570 6.016 -1.828 15 HB3 PHE 3 HB1 PHE 3 6.773 6.824 -3.175 16 HD1 PHE 3 HD2 PHE 3 4.205 6.191 -3.498 17 HD2 PHE 3 HD1 PHE 3 6.369 5.768 0.165 18 HE1 PHE 3 HE2 PHE 3 2.089 6.176 -2.244 19 HE2 PHE 3 HE1 PHE 3 4.253 5.748 1.405 20 HZ PHE 3 HZ PHE 3 2.113 5.952 0.207 21 H VAL 4 HN VAL 4 7.505 5.425 -5.742 22 HA VAL 4 HA VAL 4 10.175 4.359 -5.899 23 HB VAL 4 HB VAL 4 8.834 4.428 -7.932 24 HG11 VAL 4 HG11 VAL 4 8.153 6.518 -9.061 25 HG12 VAL 4 HG12 VAL 4 8.769 7.455 -7.698 26 HG13 VAL 4 HG13 VAL 4 7.403 6.363 -7.469 27 HG21 VAL 4 HG21 VAL 4 11.275 4.597 -8.215 28 HG22 VAL 4 HG22 VAL 4 11.179 6.359 -8.158 29 HG23 VAL 4 HG23 VAL 4 10.443 5.480 -9.501 30 H VAL 5 HN VAL 5 11.918 5.293 -5.114 31 HA VAL 5 HA VAL 5 11.974 8.151 -4.446 32 HB VAL 5 HB VAL 5 12.618 6.943 -2.528 33 HG11 VAL 5 HG11 VAL 5 14.278 5.123 -2.427 34 HG12 VAL 5 HG12 VAL 5 14.480 5.206 -4.181 35 HG13 VAL 5 HG13 VAL 5 12.931 4.717 -3.495 36 HG21 VAL 5 HG21 VAL 5 14.149 8.822 -2.981 37 HG22 VAL 5 HG22 VAL 5 15.243 7.742 -3.848 38 HG23 VAL 5 HG23 VAL 5 14.984 7.529 -2.116 39 H GLU 6 HN GLU 6 13.267 9.555 -5.434 40 HA GLU 6 HA GLU 6 14.343 9.013 -8.012 41 HB2 GLU 6 HB2 GLU 6 13.332 11.207 -7.325 42 HB3 GLU 6 HB1 GLU 6 14.682 11.478 -6.239 43 HG2 GLU 6 HG2 GLU 6 15.032 12.795 -8.207 44 HG3 GLU 6 HG1 GLU 6 16.216 11.487 -8.221 45 H LYS 7 HN LYS 7 15.838 9.982 -4.900 46 HA LYS 7 HA LYS 7 18.253 8.477 -5.314 47 HB2 LYS 7 HB2 LYS 7 19.791 10.447 -5.388 48 HB3 LYS 7 HB1 LYS 7 18.760 10.352 -6.814 49 HG2 LYS 7 HG2 LYS 7 17.307 12.116 -5.952 50 HG3 LYS 7 HG1 LYS 7 18.218 12.180 -4.438 51 HD2 LYS 7 HD2 LYS 7 19.349 12.836 -7.191 52 HD3 LYS 7 HD1 LYS 7 18.784 14.028 -6.021 53 HE2 LYS 7 HE2 LYS 7 20.538 13.269 -4.422 54 HE3 LYS 7 HE1 LYS 7 21.108 12.104 -5.620 55 HZ1 LYS 7 HZ1 LYS 7 21.076 15.048 -5.951 56 HZ2 LYS 7 HZ2 LYS 7 21.641 13.931 -7.093 57 HZ3 LYS 7 HZ3 LYS 7 22.435 14.105 -5.609 58 H VAL 8 HN VAL 8 19.798 8.805 -3.532 59 HA VAL 8 HA VAL 8 18.594 9.588 -0.977 60 HB VAL 8 HB VAL 8 21.377 8.449 -1.539 61 HG11 VAL 8 HG11 VAL 8 21.252 9.706 0.596 62 HG12 VAL 8 HG12 VAL 8 21.495 7.983 0.873 63 HG13 VAL 8 HG13 VAL 8 19.898 8.694 1.116 64 HG21 VAL 8 HG21 VAL 8 20.510 6.265 -0.769 65 HG22 VAL 8 HG22 VAL 8 19.625 6.822 -2.191 66 HG23 VAL 8 HG23 VAL 8 18.895 6.956 -0.589 67 H LEU 9 HN LEU 9 19.341 11.317 0.247 68 HA LEU 9 HA LEU 9 20.987 13.346 -1.142 69 HB2 LEU 9 HB2 LEU 9 18.905 13.695 1.052 70 HB3 LEU 9 HB1 LEU 9 19.844 14.999 0.327 71 HG LEU 9 HG LEU 9 17.765 13.276 -1.093 72 HD11 LEU 9 HD11 LEU 9 16.754 14.925 0.385 73 HD12 LEU 9 HD12 LEU 9 16.482 15.363 -1.297 74 HD13 LEU 9 HD13 LEU 9 17.705 16.218 -0.352 75 HD21 LEU 9 HD21 LEU 9 19.464 15.520 -2.242 76 HD22 LEU 9 HD22 LEU 9 18.128 14.709 -3.066 77 HD23 LEU 9 HD23 LEU 9 19.578 13.804 -2.647 78 H ASP 10 HN ASP 10 20.421 11.828 2.049 79 HA ASP 10 HA ASP 10 23.172 12.367 2.837 80 HB2 ASP 10 HB2 ASP 10 21.856 14.425 3.495 81 HB3 ASP 10 HB1 ASP 10 20.857 13.416 4.536 82 H ARG 11 HN ARG 11 23.736 11.322 4.863 83 HA ARG 11 HA ARG 11 22.141 8.912 5.533 84 HB2 ARG 11 HB2 ARG 11 24.176 8.441 4.153 85 HB3 ARG 11 HB1 ARG 11 25.180 9.239 5.352 86 HG2 ARG 11 HG2 ARG 11 24.675 7.477 6.980 87 HG3 ARG 11 HG1 ARG 11 23.569 6.704 5.835 88 HD2 ARG 11 HD2 ARG 11 25.448 6.278 4.292 89 HD3 ARG 11 HD1 ARG 11 26.564 7.090 5.401 90 HE ARG 11 HE ARG 11 25.194 4.500 5.868 91 HH11 ARG 11 HH11 ARG 11 27.809 6.724 6.663 92 HH12 ARG 11 HH12 ARG 11 28.570 5.620 7.761 93 HH21 ARG 11 HH21 ARG 11 26.213 3.074 7.347 94 HH22 ARG 11 HH22 ARG 11 27.684 3.558 8.131 95 H ARG 12 HN ARG 12 22.233 8.297 7.776 96 HA ARG 12 HA ARG 12 23.764 9.858 9.689 97 HB2 ARG 12 HB2 ARG 12 21.938 10.718 10.976 98 HB3 ARG 12 HB1 ARG 12 21.592 11.158 9.307 99 HG2 ARG 12 HG2 ARG 12 20.002 9.237 9.164 100 HG3 ARG 12 HG1 ARG 12 20.309 8.886 10.870 101 HD2 ARG 12 HD2 ARG 12 19.018 11.376 9.698 102 HD3 ARG 12 HD1 ARG 12 18.250 10.145 10.705 103 HE ARG 12 HE ARG 12 20.166 11.021 12.338 104 HH11 ARG 12 HH11 ARG 12 17.853 12.847 10.423 105 HH12 ARG 12 HH12 ARG 12 17.825 14.182 11.526 106 HH21 ARG 12 HH21 ARG 12 20.124 12.774 13.751 107 HH22 ARG 12 HH22 ARG 12 19.121 14.148 13.406 108 H VAL 13 HN VAL 13 23.568 8.978 11.893 109 HA VAL 13 HA VAL 13 22.762 6.126 11.994 110 HB VAL 13 HB VAL 13 25.031 7.473 13.537 111 HG11 VAL 13 HG11 VAL 13 24.116 4.560 13.567 112 HG12 VAL 13 HG12 VAL 13 23.977 5.710 14.897 113 HG13 VAL 13 HG13 VAL 13 25.570 5.179 14.359 114 HG21 VAL 13 HG21 VAL 13 25.167 5.430 11.281 115 HG22 VAL 13 HG22 VAL 13 26.549 6.038 12.198 116 HG23 VAL 13 HG23 VAL 13 25.624 7.133 11.167 117 H VAL 14 HN VAL 14 21.003 5.872 13.205 118 HA VAL 14 HA VAL 14 20.390 7.697 15.470 119 HB VAL 14 HB VAL 14 18.441 6.217 13.622 120 HG11 VAL 14 HG11 VAL 14 16.627 7.411 14.803 121 HG12 VAL 14 HG12 VAL 14 17.802 8.103 15.924 122 HG13 VAL 14 HG13 VAL 14 17.522 6.360 15.905 123 HG21 VAL 14 HG21 VAL 14 19.000 9.202 13.834 124 HG22 VAL 14 HG22 VAL 14 17.768 8.459 12.808 125 HG23 VAL 14 HG23 VAL 14 19.477 8.149 12.501 126 H ASN 15 HN ASN 15 20.892 6.607 17.302 127 HA ASN 15 HA ASN 15 20.944 5.079 18.986 128 HB2 ASN 15 HB2 ASN 15 18.485 3.980 17.555 129 HB3 ASN 15 HB1 ASN 15 19.023 3.417 19.136 130 HD21 ASN 15 HD21 ASN 15 18.798 4.788 20.937 131 HD22 ASN 15 HD22 ASN 15 17.768 6.171 20.896 132 H GLY 16 HN GLY 16 22.310 4.471 16.326 133 HA2 GLY 16 HA2 GLY 16 24.062 2.797 16.221 134 HA3 GLY 16 HA1 GLY 16 22.919 1.604 16.825 135 H LYS 17 HN LYS 17 20.820 2.829 14.938 136 HA LYS 17 HA LYS 17 21.396 1.066 12.687 137 HB2 LYS 17 HB2 LYS 17 19.121 1.167 12.159 138 HB3 LYS 17 HB1 LYS 17 19.064 1.431 13.897 139 HG2 LYS 17 HG2 LYS 17 18.938 3.918 13.412 140 HG3 LYS 17 HG1 LYS 17 18.769 3.515 11.699 141 HD2 LYS 17 HD2 LYS 17 16.857 2.809 13.971 142 HD3 LYS 17 HD1 LYS 17 16.561 3.914 12.622 143 HE2 LYS 17 HE2 LYS 17 16.717 1.999 11.054 144 HE3 LYS 17 HE1 LYS 17 16.945 0.905 12.414 145 HZ1 LYS 17 HZ1 LYS 17 14.547 2.544 11.855 146 HZ2 LYS 17 HZ2 LYS 17 14.756 1.577 13.223 147 HZ3 LYS 17 HZ3 LYS 17 14.687 0.869 11.690 148 H VAL 18 HN VAL 18 20.782 2.001 10.392 149 HA VAL 18 HA VAL 18 22.002 4.688 10.058 150 HB VAL 18 HB VAL 18 22.271 2.299 8.174 151 HG11 VAL 18 HG11 VAL 18 23.473 5.090 7.949 152 HG12 VAL 18 HG12 VAL 18 22.203 4.422 6.923 153 HG13 VAL 18 HG13 VAL 18 23.828 3.737 6.872 154 HG21 VAL 18 HG21 VAL 18 24.684 2.313 8.769 155 HG22 VAL 18 HG22 VAL 18 23.671 2.003 10.182 156 HG23 VAL 18 HG23 VAL 18 24.385 3.600 9.944 157 H GLU 19 HN GLU 19 20.558 6.111 9.312 158 HA GLU 19 HA GLU 19 18.349 5.251 7.543 159 HB2 GLU 19 HB2 GLU 19 18.501 7.638 9.431 160 HB3 GLU 19 HB1 GLU 19 17.167 7.325 8.319 161 HG2 GLU 19 HG2 GLU 19 16.730 5.170 9.491 162 HG3 GLU 19 HG1 GLU 19 18.019 5.548 10.635 163 H TYR 20 HN TYR 20 17.759 6.624 5.813 164 HA TYR 20 HA TYR 20 19.869 8.385 4.722 165 HB2 TYR 20 HB2 TYR 20 18.357 6.161 3.257 166 HB3 TYR 20 HB1 TYR 20 19.341 7.370 2.451 167 HD1 TYR 20 HD2 TYR 20 19.460 4.369 4.644 168 HD2 TYR 20 HD1 TYR 20 21.775 7.214 2.457 169 HE1 TYR 20 HE2 TYR 20 21.463 2.965 4.889 170 HE2 TYR 20 HE1 TYR 20 23.754 5.801 2.699 171 HH TYR 20 HH TYR 20 23.612 2.600 3.751 172 H PHE 21 HN PHE 21 19.015 10.333 4.100 173 HA PHE 21 HA PHE 21 16.164 10.794 4.145 174 HB2 PHE 21 HB2 PHE 21 17.885 12.490 4.939 175 HB3 PHE 21 HB1 PHE 21 18.349 12.743 3.259 176 HD1 PHE 21 HD2 PHE 21 15.077 12.484 5.109 177 HD2 PHE 21 HD1 PHE 21 17.507 14.782 2.446 178 HE1 PHE 21 HE2 PHE 21 13.283 14.150 4.911 179 HE2 PHE 21 HE1 PHE 21 15.707 16.442 2.256 180 HZ PHE 21 HZ PHE 21 13.596 16.132 3.481 181 H LEU 22 HN LEU 22 14.968 10.157 2.505 182 HA LEU 22 HA LEU 22 16.116 9.742 -0.148 183 HB2 LEU 22 HB2 LEU 22 13.383 9.035 0.986 184 HB3 LEU 22 HB1 LEU 22 13.946 8.621 -0.625 185 HG LEU 22 HG LEU 22 14.916 7.504 2.025 186 HD11 LEU 22 HD11 LEU 22 14.208 5.375 1.044 187 HD12 LEU 22 HD12 LEU 22 13.699 6.193 -0.427 188 HD13 LEU 22 HD13 LEU 22 12.883 6.524 1.102 189 HD21 LEU 22 HD21 LEU 22 16.941 7.890 0.693 190 HD22 LEU 22 HD22 LEU 22 16.225 7.070 -0.697 191 HD23 LEU 22 HD23 LEU 22 16.591 6.164 0.774 192 H LYS 23 HN LYS 23 15.980 11.375 -1.607 193 HA LYS 23 HA LYS 23 13.718 13.186 -1.712 194 HB2 LYS 23 HB2 LYS 23 16.263 13.353 -2.805 195 HB3 LYS 23 HB1 LYS 23 15.369 12.811 -4.213 196 HG2 LYS 23 HG2 LYS 23 14.897 15.333 -2.586 197 HG3 LYS 23 HG1 LYS 23 15.530 15.238 -4.229 198 HD2 LYS 23 HD2 LYS 23 12.714 14.355 -3.452 199 HD3 LYS 23 HD1 LYS 23 13.094 15.992 -3.977 200 HE2 LYS 23 HE2 LYS 23 13.911 15.048 -6.158 201 HE3 LYS 23 HE1 LYS 23 13.418 13.442 -5.607 202 HZ1 LYS 23 HZ1 LYS 23 11.142 14.281 -5.403 203 HZ2 LYS 23 HZ2 LYS 23 11.728 14.414 -6.984 204 HZ3 LYS 23 HZ3 LYS 23 11.643 15.781 -6.001 205 H TRP 24 HN TRP 24 11.880 11.941 -1.892 206 HA TRP 24 HA TRP 24 11.596 9.639 -3.524 207 HB2 TRP 24 HB2 TRP 24 9.443 11.490 -2.429 208 HB3 TRP 24 HB1 TRP 24 9.157 9.896 -3.112 209 HD1 TRP 24 HD1 TRP 24 10.173 11.624 0.086 210 HE1 TRP 24 HE1 TRP 24 10.332 9.892 1.969 211 HE3 TRP 24 HE3 TRP 24 9.906 7.357 -2.714 212 HZ2 TRP 24 HZ2 TRP 24 10.339 7.102 2.244 213 HZ3 TRP 24 HZ3 TRP 24 10.005 5.189 -1.557 214 HH2 TRP 24 HH2 TRP 24 10.221 5.065 0.873 215 H LYS 25 HN LYS 25 11.013 9.428 -5.649 216 HA LYS 25 HA LYS 25 10.951 11.665 -7.438 217 HB2 LYS 25 HB2 LYS 25 11.779 9.446 -8.157 218 HB3 LYS 25 HB1 LYS 25 10.203 8.728 -7.841 219 HG2 LYS 25 HG2 LYS 25 9.235 10.189 -9.639 220 HG3 LYS 25 HG1 LYS 25 10.866 10.762 -9.999 221 HD2 LYS 25 HD2 LYS 25 9.960 7.857 -10.167 222 HD3 LYS 25 HD1 LYS 25 10.074 8.956 -11.544 223 HE2 LYS 25 HE2 LYS 25 12.426 8.167 -9.780 224 HE3 LYS 25 HE1 LYS 25 12.038 7.416 -11.328 225 HZ1 LYS 25 HZ1 LYS 25 12.664 10.292 -10.949 226 HZ2 LYS 25 HZ2 LYS 25 12.366 9.521 -12.421 227 HZ3 LYS 25 HZ3 LYS 25 13.741 9.128 -11.523 228 H GLY 26 HN GLY 26 9.180 12.823 -8.117 229 HA2 GLY 26 HA2 GLY 26 6.958 13.280 -8.670 230 HA3 GLY 26 HA1 GLY 26 6.431 11.822 -7.852 231 H PHE 27 HN PHE 27 7.882 12.436 -5.391 232 HA PHE 27 HA PHE 27 5.946 14.270 -4.173 233 HB2 PHE 27 HB2 PHE 27 8.002 12.462 -2.830 234 HB3 PHE 27 HB1 PHE 27 6.691 13.319 -2.033 235 HD1 PHE 27 HD1 PHE 27 4.357 12.524 -2.231 236 HD2 PHE 27 HD2 PHE 27 7.551 10.414 -4.131 237 HE1 PHE 27 HE1 PHE 27 2.884 10.583 -2.568 238 HE2 PHE 27 HE2 PHE 27 6.074 8.481 -4.459 239 HZ PHE 27 HZ PHE 27 3.739 8.564 -3.682 240 H THR 28 HN THR 28 6.555 16.054 -2.921 241 HA THR 28 HA THR 28 8.748 17.549 -4.006 242 HB THR 28 HB THR 28 7.898 19.398 -2.500 243 HG1 THR 28 HG1 THR 28 5.675 18.711 -1.602 244 HG21 THR 28 HG21 THR 28 5.740 18.023 -4.158 245 HG22 THR 28 HG22 THR 28 6.968 19.125 -4.789 246 HG23 THR 28 HG23 THR 28 5.750 19.717 -3.660 247 H ASP 29 HN ASP 29 10.246 18.817 -2.647 248 HA ASP 29 HA ASP 29 11.946 17.198 -1.115 249 HB2 ASP 29 HB2 ASP 29 13.262 19.204 -0.685 250 HB3 ASP 29 HB1 ASP 29 12.698 19.235 -2.352 251 H ALA 30 HN ALA 30 9.381 19.379 -0.166 252 HA ALA 30 HA ALA 30 9.888 19.383 2.658 253 HB1 ALA 30 HB1 ALA 30 8.710 21.214 1.526 254 HB2 ALA 30 HB2 ALA 30 7.710 20.520 2.804 255 HB3 ALA 30 HB3 ALA 30 7.383 20.128 1.111 256 H ASP 31 HN ASP 31 8.082 17.309 0.482 257 HA ASP 31 HA ASP 31 6.607 15.950 2.607 258 HB2 ASP 31 HB2 ASP 31 5.526 16.479 0.412 259 HB3 ASP 31 HB1 ASP 31 6.672 15.410 -0.395 260 H ASN 32 HN ASN 32 9.679 15.663 1.109 261 HA ASN 32 HA ASN 32 10.070 12.867 1.119 262 HB2 ASN 32 HB2 ASN 32 12.098 15.105 1.439 263 HB3 ASN 32 HB1 ASN 32 12.528 13.418 1.187 264 HD21 ASN 32 HD21 ASN 32 10.172 13.103 -0.726 265 HD22 ASN 32 HD22 ASN 32 10.723 13.850 -2.177 266 H THR 33 HN THR 33 11.527 11.620 2.567 267 HA THR 33 HA THR 33 11.369 12.329 5.420 268 HB THR 33 HB THR 33 10.367 9.918 5.811 269 HG1 THR 33 HG1 THR 33 10.074 8.924 3.974 270 HG21 THR 33 HG21 THR 33 8.534 12.066 4.677 271 HG22 THR 33 HG22 THR 33 9.080 11.972 6.354 272 HG23 THR 33 HG23 THR 33 8.039 10.709 5.694 273 H TRP 34 HN TRP 34 12.708 11.085 6.776 274 HA TRP 34 HA TRP 34 15.022 9.781 5.643 275 HB2 TRP 34 HB2 TRP 34 14.074 10.140 8.523 276 HB3 TRP 34 HB1 TRP 34 15.554 9.284 8.108 277 HD1 TRP 34 HD1 TRP 34 14.116 12.814 8.376 278 HE1 TRP 34 HE1 TRP 34 16.053 14.495 8.210 279 HE3 TRP 34 HE3 TRP 34 17.865 9.607 7.027 280 HZ2 TRP 34 HZ2 TRP 34 18.798 14.476 7.591 281 HZ3 TRP 34 HZ3 TRP 34 20.128 10.518 6.654 282 HH2 TRP 34 HH2 TRP 34 20.574 12.904 6.933 283 H GLU 35 HN GLU 35 15.080 7.656 5.074 284 HA GLU 35 HA GLU 35 13.362 5.721 6.498 285 HB2 GLU 35 HB2 GLU 35 14.195 5.574 3.579 286 HB3 GLU 35 HB1 GLU 35 13.219 4.382 4.433 287 HG2 GLU 35 HG2 GLU 35 12.450 7.215 3.688 288 HG3 GLU 35 HG1 GLU 35 11.791 5.720 3.039 289 HA PRO 36 HA PRO 36 17.343 3.813 7.496 290 HB2 PRO 36 HB2 PRO 36 16.364 1.483 8.578 291 HB3 PRO 36 HB1 PRO 36 16.362 3.032 9.434 292 HG2 PRO 36 HG2 PRO 36 14.118 1.690 7.938 293 HG3 PRO 36 HG1 PRO 36 14.089 2.499 9.520 294 HD2 PRO 36 HD2 PRO 36 13.224 3.725 7.253 295 HD3 PRO 36 HD1 PRO 36 13.993 4.632 8.572 296 H GLU 37 HN GLU 37 18.587 1.927 6.844 297 HA GLU 37 HA GLU 37 18.278 1.347 4.087 298 HB2 GLU 37 HB2 GLU 37 20.313 -0.168 4.439 299 HB3 GLU 37 HB1 GLU 37 20.500 1.524 4.838 300 HG2 GLU 37 HG2 GLU 37 21.653 0.288 6.513 301 HG3 GLU 37 HG1 GLU 37 20.199 0.948 7.260 302 H GLU 38 HN GLU 38 17.249 -0.399 6.897 303 HA GLU 38 HA GLU 38 16.745 -2.965 5.801 304 HB2 GLU 38 HB2 GLU 38 15.223 -3.262 7.741 305 HB3 GLU 38 HB1 GLU 38 16.729 -2.500 8.239 306 HG2 GLU 38 HG2 GLU 38 15.624 -0.308 8.291 307 HG3 GLU 38 HG1 GLU 38 14.115 -1.038 7.755 308 H ASN 39 HN ASN 39 15.072 0.074 5.580 309 HA ASN 39 HA ASN 39 12.529 -1.050 4.680 310 HB2 ASN 39 HB2 ASN 39 12.781 0.812 6.423 311 HB3 ASN 39 HB1 ASN 39 13.313 1.866 5.121 312 HD21 ASN 39 HD21 ASN 39 11.584 3.237 5.587 313 HD22 ASN 39 HD22 ASN 39 9.976 2.870 5.095 314 H LEU 40 HN LEU 40 15.430 0.077 3.308 315 HA LEU 40 HA LEU 40 14.315 1.200 0.853 316 HB2 LEU 40 HB2 LEU 40 17.245 0.592 1.433 317 HB3 LEU 40 HB1 LEU 40 16.597 1.643 0.179 318 HG LEU 40 HG LEU 40 16.706 2.159 3.170 319 HD11 LEU 40 HD11 LEU 40 17.990 4.147 2.551 320 HD12 LEU 40 HD12 LEU 40 17.881 3.714 0.841 321 HD13 LEU 40 HD13 LEU 40 18.766 2.678 1.965 322 HD21 LEU 40 HD21 LEU 40 15.204 3.777 1.098 323 HD22 LEU 40 HD22 LEU 40 15.544 4.300 2.753 324 HD23 LEU 40 HD23 LEU 40 14.519 2.898 2.467 325 H ASP 41 HN ASP 41 13.705 -0.077 -0.815 326 HA ASP 41 HA ASP 41 14.693 -2.811 -1.109 327 HB2 ASP 41 HB2 ASP 41 12.324 -2.357 -1.617 328 HB3 ASP 41 HB1 ASP 41 12.782 -1.165 -2.825 329 H CYS 42 HN CYS 42 15.238 0.352 -2.410 330 HA CYS 42 HA CYS 42 16.675 -0.397 -4.783 331 HB2 CYS 42 HB2 CYS 42 17.097 2.091 -4.865 332 HB3 CYS 42 HB1 CYS 42 15.401 1.650 -4.724 333 HG CYS 42 HG CYS 42 17.123 2.392 -1.897 334 HA PRO 43 HA PRO 43 20.652 -0.550 -2.397 335 HB2 PRO 43 HB2 PRO 43 21.907 -2.486 -3.771 336 HB3 PRO 43 HB1 PRO 43 20.576 -2.874 -2.672 337 HG2 PRO 43 HG2 PRO 43 20.551 -2.647 -5.671 338 HG3 PRO 43 HG1 PRO 43 19.761 -3.853 -4.635 339 HD2 PRO 43 HD2 PRO 43 18.497 -1.592 -5.715 340 HD3 PRO 43 HD1 PRO 43 17.911 -2.516 -4.327 341 H GLU 44 HN GLU 44 19.971 0.134 -5.723 342 HA GLU 44 HA GLU 44 22.647 0.662 -6.622 343 HB2 GLU 44 HB2 GLU 44 20.823 -0.091 -8.136 344 HB3 GLU 44 HB1 GLU 44 19.968 1.418 -7.861 345 HG2 GLU 44 HG2 GLU 44 21.858 2.649 -8.911 346 HG3 GLU 44 HG1 GLU 44 22.653 1.108 -9.242 347 H LEU 45 HN LEU 45 19.905 2.620 -5.452 348 HA LEU 45 HA LEU 45 21.101 5.179 -5.785 349 HB2 LEU 45 HB2 LEU 45 18.948 4.262 -3.853 350 HB3 LEU 45 HB1 LEU 45 19.441 5.943 -4.029 351 HG LEU 45 HG LEU 45 18.088 4.210 -6.133 352 HD11 LEU 45 HD11 LEU 45 17.145 6.684 -4.648 353 HD12 LEU 45 HD12 LEU 45 16.578 5.029 -4.410 354 HD13 LEU 45 HD13 LEU 45 16.262 5.853 -5.934 355 HD21 LEU 45 HD21 LEU 45 19.128 7.055 -6.426 356 HD22 LEU 45 HD22 LEU 45 18.120 6.200 -7.598 357 HD23 LEU 45 HD23 LEU 45 19.745 5.620 -7.252 358 H ILE 46 HN ILE 46 21.112 2.856 -3.097 359 HA ILE 46 HA ILE 46 22.549 4.422 -1.217 360 HB ILE 46 HB ILE 46 22.565 1.372 -1.489 361 HG12 ILE 46 HG12 ILE 46 20.748 3.144 0.220 362 HG13 ILE 46 HG11 ILE 46 20.253 2.303 -1.246 363 HG21 ILE 46 HG21 ILE 46 23.194 1.335 0.911 364 HG22 ILE 46 HG22 ILE 46 23.285 3.097 0.918 365 HG23 ILE 46 HG23 ILE 46 24.415 2.161 -0.061 366 HD11 ILE 46 HD11 ILE 46 21.130 1.011 1.339 367 HD12 ILE 46 HD12 ILE 46 20.665 0.150 -0.130 368 HD13 ILE 46 HD13 ILE 46 19.481 1.136 0.725 369 H GLU 47 HN GLU 47 23.592 2.064 -3.668 370 HA GLU 47 HA GLU 47 26.351 2.014 -3.200 371 HB2 GLU 47 HB2 GLU 47 25.249 0.333 -4.603 372 HB3 GLU 47 HB1 GLU 47 24.773 1.561 -5.771 373 HG2 GLU 47 HG2 GLU 47 27.186 1.932 -6.319 374 HG3 GLU 47 HG1 GLU 47 27.609 0.646 -5.186 375 H ALA 48 HN ALA 48 24.508 3.911 -5.606 376 HA ALA 48 HA ALA 48 26.667 5.319 -6.750 377 HB1 ALA 48 HB1 ALA 48 24.954 6.804 -7.722 378 HB2 ALA 48 HB2 ALA 48 23.743 6.135 -6.623 379 HB3 ALA 48 HB3 ALA 48 24.476 5.109 -7.857 380 H PHE 49 HN PHE 49 24.610 5.984 -3.983 381 HA PHE 49 HA PHE 49 25.519 8.629 -3.396 382 HB2 PHE 49 HB2 PHE 49 23.371 7.980 -2.564 383 HB3 PHE 49 HB1 PHE 49 24.007 6.517 -1.823 384 HD1 PHE 49 HD2 PHE 49 24.356 10.258 -1.613 385 HD2 PHE 49 HD1 PHE 49 24.406 6.520 0.468 386 HE1 PHE 49 HE2 PHE 49 24.611 11.439 0.528 387 HE2 PHE 49 HE1 PHE 49 24.662 7.711 2.589 388 HZ PHE 49 HZ PHE 49 24.774 10.156 2.621 389 H LEU 50 HN LEU 50 26.571 5.375 -2.342 390 HA LEU 50 HA LEU 50 28.468 6.244 -0.378 391 HB2 LEU 50 HB2 LEU 50 28.398 3.660 -2.002 392 HB3 LEU 50 HB1 LEU 50 29.457 3.941 -0.628 393 HG LEU 50 HG LEU 50 26.417 3.807 -0.510 394 HD11 LEU 50 HD11 LEU 50 27.397 1.623 -0.968 395 HD12 LEU 50 HD12 LEU 50 26.722 1.677 0.658 396 HD13 LEU 50 HD13 LEU 50 28.470 1.785 0.426 397 HD21 LEU 50 HD21 LEU 50 26.683 3.841 1.950 398 HD22 LEU 50 HD22 LEU 50 27.249 5.332 1.201 399 HD23 LEU 50 HD23 LEU 50 28.415 4.125 1.754 400 H ASN 51 HN ASN 51 28.604 5.579 -3.848 401 HA ASN 51 HA ASN 51 31.368 6.024 -4.321 402 HB2 ASN 51 HB2 ASN 51 29.023 6.378 -6.250 403 HB3 ASN 51 HB1 ASN 51 30.717 6.262 -6.720 404 HD21 ASN 51 HD21 ASN 51 28.479 4.605 -7.547 405 HD22 ASN 51 HD22 ASN 51 28.872 2.983 -7.101 406 H SER 52 HN SER 52 28.608 8.170 -3.975 407 HA SER 52 HA SER 52 29.890 10.572 -4.907 408 HB2 SER 52 HB2 SER 52 27.422 10.227 -3.141 409 HB3 SER 52 HB1 SER 52 27.927 11.740 -3.899 410 HG SER 52 HG SER 52 26.641 9.562 -4.983 411 H GLN 53 HN GLN 53 29.450 8.987 -1.762 412 HA GLN 53 HA GLN 53 30.508 11.106 -0.157 413 HB2 GLN 53 HB2 GLN 53 30.195 8.137 0.452 414 HB3 GLN 53 HB1 GLN 53 30.678 9.352 1.639 415 HG2 GLN 53 HG2 GLN 53 28.501 10.507 1.311 416 HG3 GLN 53 HG1 GLN 53 28.018 9.256 0.169 417 HE21 GLN 53 HE21 GLN 53 27.655 7.137 0.956 418 HE22 GLN 53 HE22 GLN 53 27.302 6.847 2.620 419 H LYS 54 HN LYS 54 31.894 8.332 -1.821 420 HA LYS 54 HA LYS 54 34.488 8.629 -0.527 421 HB2 LYS 54 HB2 LYS 54 33.436 6.361 -1.055 422 HB3 LYS 54 HB1 LYS 54 33.717 6.698 -2.758 423 HG2 LYS 54 HG2 LYS 54 35.465 5.244 -1.845 424 HG3 LYS 54 HG1 LYS 54 36.145 6.789 -2.366 425 HD2 LYS 54 HD2 LYS 54 37.133 6.120 -0.221 426 HD3 LYS 54 HD1 LYS 54 36.158 7.572 -0.002 427 HE2 LYS 54 HE2 LYS 54 34.293 6.117 0.860 428 HE3 LYS 54 HE1 LYS 54 35.380 4.727 0.761 429 HZ1 LYS 54 HZ1 LYS 54 35.365 5.578 2.974 430 HZ2 LYS 54 HZ2 LYS 54 35.715 7.144 2.452 431 HZ3 LYS 54 HZ3 LYS 54 36.874 5.925 2.301 432 H1 ALA 1 HT1 ALA 1 18.636 -1.729 -11.196 433 H2 ALA 1 HT2 ALA 1 17.387 -0.608 -11.376 434 H3 ALA 1 HT3 ALA 1 18.996 -0.127 -11.605 435 HA ALA 1 HA ALA 1 17.878 -0.363 -13.701 436 HB1 ALA 1 HB1 ALA 1 20.288 -0.844 -13.597 437 HB2 ALA 1 HB2 ALA 1 19.494 -1.850 -14.809 438 HB3 ALA 1 HB3 ALA 1 19.943 -2.540 -13.247 439 H ARG 2 HN ARG 2 18.139 -3.546 -12.079 440 HA ARG 2 HA ARG 2 16.231 -4.893 -13.685 441 HB2 ARG 2 HB2 ARG 2 18.004 -6.006 -12.276 442 HB3 ARG 2 HB1 ARG 2 17.118 -5.554 -10.828 443 HG2 ARG 2 HG2 ARG 2 15.870 -7.322 -12.967 444 HG3 ARG 2 HG1 ARG 2 16.907 -7.991 -11.710 445 HD2 ARG 2 HD2 ARG 2 15.348 -7.071 -9.993 446 HD3 ARG 2 HD1 ARG 2 14.291 -6.505 -11.289 447 HE ARG 2 HE ARG 2 14.909 -9.349 -11.284 448 HH11 ARG 2 HH11 ARG 2 12.565 -6.881 -10.414 449 HH12 ARG 2 HH12 ARG 2 11.305 -8.022 -10.098 450 HH21 ARG 2 HH21 ARG 2 13.254 -10.816 -10.879 451 HH22 ARG 2 HH22 ARG 2 11.696 -10.255 -10.367 452 H THR 3 HN THR 3 15.881 -3.979 -10.233 453 HA THR 3 HA THR 3 12.994 -3.618 -10.519 454 HB THR 3 HB THR 3 13.087 -3.059 -8.046 455 HG1 THR 3 HG1 THR 3 14.987 -3.178 -6.949 456 HG21 THR 3 HG21 THR 3 13.602 -5.322 -7.243 457 HG22 THR 3 HG22 THR 3 14.422 -5.694 -8.761 458 HG23 THR 3 HG23 THR 3 12.682 -5.394 -8.748 459 H LYS 4 HN LYS 4 11.929 -1.617 -10.245 460 HA LYS 4 HA LYS 4 13.370 0.802 -10.812 461 HB2 LYS 4 HB2 LYS 4 10.477 0.434 -9.877 462 HB3 LYS 4 HB1 LYS 4 11.173 1.930 -10.514 463 HG2 LYS 4 HG2 LYS 4 11.631 0.707 -12.679 464 HG3 LYS 4 HG1 LYS 4 10.746 -0.678 -12.025 465 HD2 LYS 4 HD2 LYS 4 8.704 0.718 -11.846 466 HD3 LYS 4 HD1 LYS 4 9.597 2.114 -12.465 467 HE2 LYS 4 HE2 LYS 4 9.034 -0.468 -13.970 468 HE3 LYS 4 HE1 LYS 4 8.269 1.097 -14.254 469 HZ1 LYS 4 HZ1 LYS 4 10.028 0.653 -15.856 470 HZ2 LYS 4 HZ2 LYS 4 11.162 0.504 -14.610 471 HZ3 LYS 4 HZ3 LYS 4 10.414 1.990 -14.897 472 H GLN 5 HN GLN 5 14.020 2.371 -9.387 473 HA GLN 5 HA GLN 5 14.831 1.491 -6.840 474 HB2 GLN 5 HB2 GLN 5 14.840 4.294 -8.028 475 HB3 GLN 5 HB1 GLN 5 15.677 3.825 -6.552 476 HG2 GLN 5 HG2 GLN 5 16.272 2.915 -9.380 477 HG3 GLN 5 HG1 GLN 5 17.295 3.874 -8.306 478 HE21 GLN 5 HE21 GLN 5 16.219 0.674 -9.135 479 HE22 GLN 5 HE22 GLN 5 17.306 -0.184 -8.101 480 H THR 6 HN THR 6 13.277 1.009 -5.406 481 HA THR 6 HA THR 6 11.275 3.053 -4.652 482 HB THR 6 HB THR 6 10.166 1.305 -5.997 483 HG1 THR 6 HG1 THR 6 9.048 2.201 -4.175 484 HG21 THR 6 HG21 THR 6 11.709 -0.585 -5.576 485 HG22 THR 6 HG22 THR 6 10.036 -1.036 -5.248 486 HG23 THR 6 HG23 THR 6 11.132 -0.688 -3.909 487 H ALA 7 HN ALA 7 10.513 2.885 -2.516 488 HA ALA 7 HA ALA 7 11.600 1.031 -0.585 489 HB1 ALA 7 HB1 ALA 7 13.348 2.786 -0.579 490 HB2 ALA 7 HB2 ALA 7 12.451 2.794 0.940 491 HB3 ALA 7 HB3 ALA 7 12.121 4.022 -0.287 492 H ARG 8 HN ARG 8 10.495 1.391 1.521 493 HA ARG 8 HA ARG 8 7.717 2.350 1.133 494 HB2 ARG 8 HB2 ARG 8 8.823 0.419 3.235 495 HB3 ARG 8 HB1 ARG 8 7.134 0.860 3.039 496 HG2 ARG 8 HG2 ARG 8 7.287 -1.282 2.051 497 HG3 ARG 8 HG1 ARG 8 7.302 -0.179 0.676 498 HD2 ARG 8 HD2 ARG 8 9.843 -0.363 0.700 499 HD3 ARG 8 HD1 ARG 8 9.660 -1.644 1.904 500 HE ARG 8 HE ARG 8 8.140 -2.098 -0.507 501 HH11 ARG 8 HH11 ARG 8 11.287 -2.610 0.987 502 HH12 ARG 8 HH12 ARG 8 11.730 -3.845 -0.145 503 HH21 ARG 8 HH21 ARG 8 8.769 -3.683 -1.980 504 HH22 ARG 8 HH22 ARG 8 10.324 -4.434 -1.828 505 H M3L 9 HN M3L 9 6.793 3.142 3.428 506 HA M3L 9 HA M3L 9 8.807 4.938 4.655 507 HB2 M3L 9 HB2 M3L 9 5.800 5.330 4.401 508 HB3 M3L 9 HB1 M3L 9 6.870 6.382 5.339 509 HG2 M3L 9 HG2 M3L 9 8.182 6.825 3.247 510 HG3 M3L 9 HG1 M3L 9 6.983 5.896 2.334 511 HD2 M3L 9 HD2 M3L 9 5.235 7.519 2.933 512 HD3 M3L 9 HD1 M3L 9 6.372 8.407 3.959 513 HE2 M3L 9 HE2 M3L 9 7.757 8.935 1.984 514 HE3 M3L 9 HE1 M3L 9 6.649 8.029 0.950 515 HM11 M3L 9 HH33 M3L 9 7.470 10.969 0.607 516 HM12 M3L 9 HH31 M3L 9 5.859 11.592 0.245 517 HM13 M3L 9 HH32 M3L 9 6.398 10.070 -0.469 518 HM21 M3L 9 HH11 M3L 9 3.825 10.452 1.152 519 HM22 M3L 9 HH12 M3L 9 3.983 9.044 2.205 520 HM23 M3L 9 HH13 M3L 9 4.347 8.904 0.482 521 HM31 M3L 9 HH21 M3L 9 5.396 11.755 2.695 522 HM32 M3L 9 HH22 M3L 9 6.982 11.084 3.085 523 HM33 M3L 9 HH23 M3L 9 5.524 10.326 3.728 524 H SER 10 HN SER 10 9.291 4.685 6.676 525 HA SER 10 HA SER 10 8.787 2.254 7.964 526 HB2 SER 10 HB2 SER 10 10.899 3.590 8.175 527 HB3 SER 10 HB1 SER 10 10.042 4.776 9.155 528 HG SER 10 HG SER 10 10.296 2.024 9.815 529 H THR 11 HN THR 11 6.911 1.723 8.844 530 HA THR 11 HA THR 11 4.951 3.570 9.769 531 HB THR 11 HB THR 11 5.040 0.540 10.113 532 HG1 THR 11 HG1 THR 11 5.005 1.943 7.877 533 HG21 THR 11 HG21 THR 11 2.673 2.443 10.017 534 HG22 THR 11 HG22 THR 11 3.280 1.643 11.468 535 HG23 THR 11 HG23 THR 11 2.590 0.680 10.165 536 H GLY 12 HN GLY 12 5.536 4.731 11.515 537 HA2 GLY 12 HA2 GLY 12 7.091 3.759 13.727 538 HA3 GLY 12 HA1 GLY 12 6.311 5.330 13.590 539 H GLY 13 HN GLY 13 6.448 3.037 15.684 540 HA2 GLY 13 HA2 GLY 13 3.617 2.451 16.164 541 HA3 GLY 13 HA1 GLY 13 4.992 1.756 16.996 542 H LYS 14 HN LYS 14 2.817 4.482 16.843 543 HA LYS 14 HA LYS 14 3.880 5.873 19.157 544 HB2 LYS 14 HB2 LYS 14 1.192 6.189 17.759 545 HB3 LYS 14 HB1 LYS 14 1.913 7.335 18.888 546 HG2 LYS 14 HG2 LYS 14 3.708 7.817 17.267 547 HG3 LYS 14 HG1 LYS 14 3.041 6.623 16.146 548 HD2 LYS 14 HD2 LYS 14 1.659 9.185 17.073 549 HD3 LYS 14 HD1 LYS 14 2.401 8.920 15.493 550 HE2 LYS 14 HE2 LYS 14 0.749 7.115 15.045 551 HE3 LYS 14 HE1 LYS 14 -0.002 7.422 16.609 552 HZ1 LYS 14 HZ1 LYS 14 0.198 9.372 14.387 553 HZ2 LYS 14 HZ2 LYS 14 -0.578 9.626 15.864 554 HZ3 LYS 14 HZ3 LYS 14 -1.179 8.475 14.780 555 H ALA 15 HN ALA 15 3.885 3.891 20.499 556 HA ALA 15 HA ALA 15 1.427 3.505 22.011 557 HB1 ALA 15 HB1 ALA 15 1.372 1.058 21.680 558 HB2 ALA 15 HB2 ALA 15 2.697 1.178 20.516 559 HB3 ALA 15 HB3 ALA 15 1.136 1.918 20.155 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 8.772 -2.292 -3.811 2 H2 GLY 1 HT2 GLY 1 7.880 -3.155 -2.663 3 H3 GLY 1 HT3 GLY 1 9.532 -2.891 -2.426 4 HA2 GLY 1 HA1 GLY 1 8.221 -1.424 -1.033 5 HA3 GLY 1 HA2 GLY 1 9.185 -0.532 -2.205 6 H GLU 2 HN GLU 2 7.112 0.776 -1.125 7 HA GLU 2 HA GLU 2 4.791 0.641 -2.954 8 HB2 GLU 2 HB2 GLU 2 5.092 2.081 -0.283 9 HB3 GLU 2 HB1 GLU 2 3.616 1.996 -1.242 10 HG2 GLU 2 HG2 GLU 2 5.012 -0.302 0.162 11 HG3 GLU 2 HG1 GLU 2 3.511 0.483 0.652 12 H PHE 3 HN PHE 3 7.217 2.860 -1.629 13 HA PHE 3 HA PHE 3 6.121 5.129 -3.192 14 HB2 PHE 3 HB2 PHE 3 7.877 5.301 -0.701 15 HB3 PHE 3 HB1 PHE 3 6.937 6.591 -1.450 16 HD1 PHE 3 HD1 PHE 3 4.387 6.466 -1.357 17 HD2 PHE 3 HD2 PHE 3 6.889 3.879 0.953 18 HE1 PHE 3 HE1 PHE 3 2.485 5.913 0.103 19 HE2 PHE 3 HE2 PHE 3 4.978 3.341 2.411 20 HZ PHE 3 HZ PHE 3 2.777 4.354 1.981 21 H VAL 4 HN VAL 4 7.354 5.791 -4.845 22 HA VAL 4 HA VAL 4 9.942 4.597 -5.317 23 HB VAL 4 HB VAL 4 8.554 6.703 -7.031 24 HG11 VAL 4 HG11 VAL 4 10.924 6.337 -7.615 25 HG12 VAL 4 HG12 VAL 4 9.864 5.724 -8.886 26 HG13 VAL 4 HG13 VAL 4 10.633 4.600 -7.761 27 HG21 VAL 4 HG21 VAL 4 7.616 4.829 -8.342 28 HG22 VAL 4 HG22 VAL 4 6.996 4.853 -6.687 29 HG23 VAL 4 HG23 VAL 4 8.241 3.687 -7.148 30 H VAL 5 HN VAL 5 11.876 5.509 -5.157 31 HA VAL 5 HA VAL 5 12.158 8.293 -4.209 32 HB VAL 5 HB VAL 5 12.838 6.941 -2.392 33 HG11 VAL 5 HG11 VAL 5 14.331 4.976 -2.514 34 HG12 VAL 5 HG12 VAL 5 14.390 5.134 -4.273 35 HG13 VAL 5 HG13 VAL 5 12.865 4.753 -3.475 36 HG21 VAL 5 HG21 VAL 5 15.410 7.597 -3.890 37 HG22 VAL 5 HG22 VAL 5 15.291 7.276 -2.159 38 HG23 VAL 5 HG23 VAL 5 14.500 8.693 -2.851 39 H GLU 6 HN GLU 6 13.450 9.622 -5.291 40 HA GLU 6 HA GLU 6 14.507 9.078 -7.865 41 HB2 GLU 6 HB2 GLU 6 13.610 11.283 -7.246 42 HB3 GLU 6 HB1 GLU 6 14.841 11.464 -6.003 43 HG2 GLU 6 HG2 GLU 6 15.374 12.830 -7.934 44 HG3 GLU 6 HG1 GLU 6 16.582 11.582 -7.721 45 H LYS 7 HN LYS 7 16.172 10.039 -4.801 46 HA LYS 7 HA LYS 7 18.010 7.900 -4.843 47 HB2 LYS 7 HB2 LYS 7 20.149 8.956 -5.252 48 HB3 LYS 7 HB1 LYS 7 19.123 9.221 -6.653 49 HG2 LYS 7 HG2 LYS 7 19.195 11.406 -4.596 50 HG3 LYS 7 HG1 LYS 7 20.656 11.163 -5.550 51 HD2 LYS 7 HD2 LYS 7 17.886 11.651 -6.710 52 HD3 LYS 7 HD1 LYS 7 19.130 12.889 -6.510 53 HE2 LYS 7 HE2 LYS 7 20.608 11.677 -8.067 54 HE3 LYS 7 HE1 LYS 7 19.410 10.392 -8.237 55 HZ1 LYS 7 HZ1 LYS 7 18.954 13.220 -8.986 56 HZ2 LYS 7 HZ2 LYS 7 17.913 11.915 -9.269 57 HZ3 LYS 7 HZ3 LYS 7 19.401 11.997 -10.062 58 H VAL 8 HN VAL 8 19.717 8.123 -3.121 59 HA VAL 8 HA VAL 8 18.707 9.342 -0.713 60 HB VAL 8 HB VAL 8 21.389 7.991 -1.266 61 HG11 VAL 8 HG11 VAL 8 21.588 7.762 1.196 62 HG12 VAL 8 HG12 VAL 8 20.119 8.719 1.401 63 HG13 VAL 8 HG13 VAL 8 21.558 9.452 0.687 64 HG21 VAL 8 HG21 VAL 8 19.493 6.442 -1.625 65 HG22 VAL 8 HG22 VAL 8 18.887 6.794 -0.006 66 HG23 VAL 8 HG23 VAL 8 20.436 5.975 -0.206 67 H LEU 9 HN LEU 9 19.499 11.157 0.323 68 HA LEU 9 HA LEU 9 21.362 12.918 -1.153 69 HB2 LEU 9 HB2 LEU 9 19.244 13.684 0.896 70 HB3 LEU 9 HB1 LEU 9 20.292 14.802 0.031 71 HG LEU 9 HG LEU 9 18.059 13.107 -1.153 72 HD11 LEU 9 HD11 LEU 9 16.995 15.255 -1.675 73 HD12 LEU 9 HD12 LEU 9 18.311 16.119 -0.877 74 HD13 LEU 9 HD13 LEU 9 17.251 15.060 0.057 75 HD21 LEU 9 HD21 LEU 9 18.540 14.186 -3.324 76 HD22 LEU 9 HD22 LEU 9 19.870 13.170 -2.781 77 HD23 LEU 9 HD23 LEU 9 19.992 14.926 -2.640 78 H ASP 10 HN ASP 10 20.592 11.574 2.047 79 HA ASP 10 HA ASP 10 23.179 12.413 3.128 80 HB2 ASP 10 HB2 ASP 10 21.548 14.336 3.452 81 HB3 ASP 10 HB1 ASP 10 20.555 13.266 4.432 82 H ARG 11 HN ARG 11 23.493 11.509 5.368 83 HA ARG 11 HA ARG 11 22.027 8.995 5.896 84 HB2 ARG 11 HB2 ARG 11 24.026 8.375 4.660 85 HB3 ARG 11 HB1 ARG 11 25.035 9.396 5.674 86 HG2 ARG 11 HG2 ARG 11 24.600 7.879 7.596 87 HG3 ARG 11 HG1 ARG 11 23.630 6.845 6.544 88 HD2 ARG 11 HD2 ARG 11 25.539 6.256 5.217 89 HD3 ARG 11 HD1 ARG 11 26.535 7.504 5.969 90 HE ARG 11 HE ARG 11 26.244 6.170 8.094 91 HH11 ARG 11 HH11 ARG 11 26.051 4.511 4.993 92 HH12 ARG 11 HH12 ARG 11 26.812 3.073 5.589 93 HH21 ARG 11 HH21 ARG 11 27.247 4.282 8.840 94 HH22 ARG 11 HH22 ARG 11 27.488 2.945 7.760 95 H ARG 12 HN ARG 12 22.014 8.349 8.073 96 HA ARG 12 HA ARG 12 23.463 9.835 10.125 97 HB2 ARG 12 HB2 ARG 12 21.541 10.426 11.447 98 HB3 ARG 12 HB1 ARG 12 21.217 11.015 9.821 99 HG2 ARG 12 HG2 ARG 12 19.784 8.994 9.429 100 HG3 ARG 12 HG1 ARG 12 20.044 8.528 11.114 101 HD2 ARG 12 HD2 ARG 12 18.717 11.091 10.157 102 HD3 ARG 12 HD1 ARG 12 17.882 9.675 10.800 103 HE ARG 12 HE ARG 12 19.715 10.522 12.726 104 HH11 ARG 12 HH11 ARG 12 16.744 11.724 11.249 105 HH12 ARG 12 HH12 ARG 12 16.330 12.700 12.619 106 HH21 ARG 12 HH21 ARG 12 19.120 11.772 14.507 107 HH22 ARG 12 HH22 ARG 12 17.667 12.715 14.468 108 H VAL 13 HN VAL 13 23.358 8.712 12.228 109 HA VAL 13 HA VAL 13 22.499 5.884 12.092 110 HB VAL 13 HB VAL 13 24.673 7.027 13.918 111 HG11 VAL 13 HG11 VAL 13 23.765 4.143 13.500 112 HG12 VAL 13 HG12 VAL 13 23.460 5.123 14.938 113 HG13 VAL 13 HG13 VAL 13 25.111 4.657 14.520 114 HG21 VAL 13 HG21 VAL 13 25.476 6.973 11.595 115 HG22 VAL 13 HG22 VAL 13 24.985 5.285 11.438 116 HG23 VAL 13 HG23 VAL 13 26.287 5.726 12.547 117 H VAL 14 HN VAL 14 20.545 5.824 13.008 118 HA VAL 14 HA VAL 14 19.823 7.483 15.316 119 HB VAL 14 HB VAL 14 18.144 5.515 13.691 120 HG11 VAL 14 HG11 VAL 14 17.237 7.436 15.880 121 HG12 VAL 14 HG12 VAL 14 17.260 5.674 15.986 122 HG13 VAL 14 HG13 VAL 14 16.169 6.475 14.853 123 HG21 VAL 14 HG21 VAL 14 18.803 7.490 12.397 124 HG22 VAL 14 HG22 VAL 14 18.189 8.553 13.667 125 HG23 VAL 14 HG23 VAL 14 17.074 7.535 12.749 126 H ASN 15 HN ASN 15 20.447 6.731 17.213 127 HA ASN 15 HA ASN 15 20.913 5.473 19.016 128 HB2 ASN 15 HB2 ASN 15 19.160 3.336 17.730 129 HB3 ASN 15 HB1 ASN 15 19.706 3.335 19.401 130 HD21 ASN 15 HD21 ASN 15 19.283 6.181 19.863 131 HD22 ASN 15 HD22 ASN 15 17.578 6.428 19.903 132 H GLY 16 HN GLY 16 20.783 2.857 16.610 133 HA2 GLY 16 HA2 GLY 16 23.661 2.734 16.275 134 HA3 GLY 16 HA1 GLY 16 22.979 1.374 17.174 135 H LYS 17 HN LYS 17 21.300 3.107 14.606 136 HA LYS 17 HA LYS 17 21.729 0.885 12.691 137 HB2 LYS 17 HB2 LYS 17 19.462 0.618 12.236 138 HB3 LYS 17 HB1 LYS 17 19.369 1.019 13.944 139 HG2 LYS 17 HG2 LYS 17 18.891 3.415 13.270 140 HG3 LYS 17 HG1 LYS 17 18.814 2.865 11.592 141 HD2 LYS 17 HD2 LYS 17 16.980 2.008 13.875 142 HD3 LYS 17 HD1 LYS 17 16.554 3.051 12.515 143 HE2 LYS 17 HE2 LYS 17 16.833 1.190 10.957 144 HE3 LYS 17 HE1 LYS 17 17.380 0.133 12.258 145 HZ1 LYS 17 HZ1 LYS 17 14.678 1.323 11.980 146 HZ2 LYS 17 HZ2 LYS 17 15.187 0.384 13.288 147 HZ3 LYS 17 HZ3 LYS 17 15.098 -0.299 11.751 148 H VAL 18 HN VAL 18 21.695 1.533 10.455 149 HA VAL 18 HA VAL 18 22.277 4.360 9.975 150 HB VAL 18 HB VAL 18 22.425 1.980 8.078 151 HG11 VAL 18 HG11 VAL 18 23.715 3.488 6.580 152 HG12 VAL 18 HG12 VAL 18 23.413 4.834 7.682 153 HG13 VAL 18 HG13 VAL 18 22.066 4.069 6.833 154 HG21 VAL 18 HG21 VAL 18 24.667 3.426 9.552 155 HG22 VAL 18 HG22 VAL 18 24.888 2.140 8.361 156 HG23 VAL 18 HG23 VAL 18 24.081 1.795 9.891 157 H GLU 19 HN GLU 19 20.807 5.728 9.178 158 HA GLU 19 HA GLU 19 18.618 4.737 7.442 159 HB2 GLU 19 HB2 GLU 19 18.455 7.191 9.243 160 HB3 GLU 19 HB1 GLU 19 17.176 6.526 8.223 161 HG2 GLU 19 HG2 GLU 19 17.482 4.378 9.697 162 HG3 GLU 19 HG1 GLU 19 18.277 5.471 10.828 163 H TYR 20 HN TYR 20 18.101 6.028 5.682 164 HA TYR 20 HA TYR 20 20.087 8.059 4.852 165 HB2 TYR 20 HB2 TYR 20 18.744 5.875 3.201 166 HB3 TYR 20 HB1 TYR 20 19.672 7.189 2.504 167 HD1 TYR 20 HD1 TYR 20 22.173 7.368 3.073 168 HD2 TYR 20 HD2 TYR 20 19.868 3.893 4.010 169 HE1 TYR 20 HE1 TYR 20 24.233 6.047 3.258 170 HE2 TYR 20 HE2 TYR 20 21.931 2.576 4.188 171 HH TYR 20 HH TYR 20 24.216 2.619 3.442 172 H PHE 21 HN PHE 21 19.237 9.949 4.175 173 HA PHE 21 HA PHE 21 16.422 10.516 4.286 174 HB2 PHE 21 HB2 PHE 21 18.189 12.119 5.069 175 HB3 PHE 21 HB1 PHE 21 18.758 12.284 3.415 176 HD1 PHE 21 HD1 PHE 21 15.883 12.936 5.683 177 HD2 PHE 21 HD2 PHE 21 17.687 13.835 1.914 178 HE1 PHE 21 HE1 PHE 21 14.301 14.787 5.363 179 HE2 PHE 21 HE2 PHE 21 16.098 15.687 1.602 180 HZ PHE 21 HZ PHE 21 14.407 16.164 3.324 181 H LEU 22 HN LEU 22 15.175 9.896 2.637 182 HA LEU 22 HA LEU 22 16.235 9.544 -0.048 183 HB2 LEU 22 HB2 LEU 22 13.485 8.959 1.106 184 HB3 LEU 22 HB1 LEU 22 13.993 8.578 -0.534 185 HG LEU 22 HG LEU 22 14.855 7.280 2.062 186 HD11 LEU 22 HD11 LEU 22 13.729 6.190 -0.532 187 HD12 LEU 22 HD12 LEU 22 12.862 6.420 0.985 188 HD13 LEU 22 HD13 LEU 22 14.148 5.239 0.887 189 HD21 LEU 22 HD21 LEU 22 16.553 5.966 0.805 190 HD22 LEU 22 HD22 LEU 22 16.962 7.674 0.903 191 HD23 LEU 22 HD23 LEU 22 16.312 7.011 -0.598 192 H LYS 23 HN LYS 23 16.121 11.124 -1.505 193 HA LYS 23 HA LYS 23 14.051 13.135 -1.577 194 HB2 LYS 23 HB2 LYS 23 16.511 13.224 -2.605 195 HB3 LYS 23 HB1 LYS 23 15.799 12.359 -3.953 196 HG2 LYS 23 HG2 LYS 23 14.957 15.095 -2.932 197 HG3 LYS 23 HG1 LYS 23 15.943 14.785 -4.363 198 HD2 LYS 23 HD2 LYS 23 14.029 13.640 -5.434 199 HD3 LYS 23 HD1 LYS 23 13.049 13.908 -3.990 200 HE2 LYS 23 HE2 LYS 23 12.492 15.562 -5.706 201 HE3 LYS 23 HE1 LYS 23 13.232 16.353 -4.312 202 HZ1 LYS 23 HZ1 LYS 23 14.612 15.661 -6.844 203 HZ2 LYS 23 HZ2 LYS 23 15.323 16.422 -5.518 204 HZ3 LYS 23 HZ3 LYS 23 14.106 17.207 -6.388 205 H TRP 24 HN TRP 24 12.007 12.290 -1.929 206 HA TRP 24 HA TRP 24 11.529 9.829 -3.289 207 HB2 TRP 24 HB2 TRP 24 9.569 11.999 -2.430 208 HB3 TRP 24 HB1 TRP 24 9.117 10.392 -2.991 209 HD1 TRP 24 HD1 TRP 24 9.857 12.237 0.104 210 HE1 TRP 24 HE1 TRP 24 10.087 10.641 2.101 211 HE3 TRP 24 HE3 TRP 24 10.161 7.824 -2.430 212 HZ2 TRP 24 HZ2 TRP 24 10.339 7.890 2.549 213 HZ3 TRP 24 HZ3 TRP 24 10.379 5.743 -1.144 214 HH2 TRP 24 HH2 TRP 24 10.469 5.775 1.298 215 H LYS 25 HN LYS 25 10.860 9.433 -5.330 216 HA LYS 25 HA LYS 25 11.674 11.277 -7.346 217 HB2 LYS 25 HB2 LYS 25 11.921 8.763 -7.451 218 HB3 LYS 25 HB1 LYS 25 10.182 8.641 -7.684 219 HG2 LYS 25 HG2 LYS 25 10.399 9.964 -9.781 220 HG3 LYS 25 HG1 LYS 25 12.151 10.013 -9.544 221 HD2 LYS 25 HD2 LYS 25 12.270 7.558 -9.748 222 HD3 LYS 25 HD1 LYS 25 10.510 7.470 -9.882 223 HE2 LYS 25 HE2 LYS 25 12.421 8.726 -11.881 224 HE3 LYS 25 HE1 LYS 25 11.467 7.250 -12.084 225 HZ1 LYS 25 HZ1 LYS 25 10.388 9.998 -11.782 226 HZ2 LYS 25 HZ2 LYS 25 9.454 8.598 -11.919 227 HZ3 LYS 25 HZ3 LYS 25 10.425 9.093 -13.209 228 H GLY 26 HN GLY 26 8.517 9.689 -6.758 229 HA2 GLY 26 HA2 GLY 26 7.157 11.661 -8.480 230 HA3 GLY 26 HA1 GLY 26 6.524 10.107 -7.962 231 H PHE 27 HN PHE 27 8.019 12.374 -5.755 232 HA PHE 27 HA PHE 27 5.422 13.388 -4.766 233 HB2 PHE 27 HB2 PHE 27 7.635 12.291 -2.960 234 HB3 PHE 27 HB1 PHE 27 6.153 13.055 -2.405 235 HD1 PHE 27 HD2 PHE 27 4.001 11.844 -2.497 236 HD2 PHE 27 HD1 PHE 27 7.612 9.948 -3.788 237 HE1 PHE 27 HE2 PHE 27 2.885 9.648 -2.424 238 HE2 PHE 27 HE1 PHE 27 6.489 7.761 -3.712 239 HZ PHE 27 HZ PHE 27 4.125 7.611 -3.031 240 H THR 28 HN THR 28 5.820 15.332 -3.283 241 HA THR 28 HA THR 28 7.472 17.181 -4.730 242 HB THR 28 HB THR 28 5.251 17.862 -3.904 243 HG1 THR 28 HG1 THR 28 6.571 19.574 -4.239 244 HG21 THR 28 HG21 THR 28 6.437 17.748 -1.111 245 HG22 THR 28 HG22 THR 28 5.185 16.680 -1.751 246 HG23 THR 28 HG23 THR 28 4.852 18.398 -1.542 247 H ASP 29 HN ASP 29 8.806 18.853 -3.419 248 HA ASP 29 HA ASP 29 11.127 17.307 -2.785 249 HB2 ASP 29 HB2 ASP 29 10.974 19.471 -4.186 250 HB3 ASP 29 HB1 ASP 29 10.925 20.334 -2.656 251 H ALA 30 HN ALA 30 9.117 19.577 -0.890 252 HA ALA 30 HA ALA 30 10.778 19.462 1.475 253 HB1 ALA 30 HB1 ALA 30 9.011 20.792 2.557 254 HB2 ALA 30 HB2 ALA 30 7.951 20.528 1.169 255 HB3 ALA 30 HB3 ALA 30 9.436 21.458 0.979 256 H ASP 31 HN ASP 31 8.465 17.355 0.164 257 HA ASP 31 HA ASP 31 7.425 16.191 2.599 258 HB2 ASP 31 HB2 ASP 31 6.040 16.220 0.611 259 HB3 ASP 31 HB1 ASP 31 7.280 15.434 -0.347 260 H ASN 32 HN ASN 32 10.404 15.932 1.012 261 HA ASN 32 HA ASN 32 10.882 13.146 1.046 262 HB2 ASN 32 HB2 ASN 32 12.866 15.436 1.012 263 HB3 ASN 32 HB1 ASN 32 13.259 13.759 0.650 264 HD21 ASN 32 HD21 ASN 32 10.511 13.557 -0.798 265 HD22 ASN 32 HD22 ASN 32 10.819 14.309 -2.317 266 H THR 33 HN THR 33 11.984 11.775 2.502 267 HA THR 33 HA THR 33 12.238 12.745 5.287 268 HB THR 33 HB THR 33 10.790 10.738 6.021 269 HG1 THR 33 HG1 THR 33 10.463 9.524 4.267 270 HG21 THR 33 HG21 THR 33 9.904 13.034 6.206 271 HG22 THR 33 HG22 THR 33 8.632 11.899 5.742 272 HG23 THR 33 HG23 THR 33 9.355 12.960 4.532 273 H TRP 34 HN TRP 34 13.132 11.167 6.768 274 HA TRP 34 HA TRP 34 15.305 9.584 5.726 275 HB2 TRP 34 HB2 TRP 34 14.252 9.970 8.564 276 HB3 TRP 34 HB1 TRP 34 15.693 9.041 8.171 277 HD1 TRP 34 HD1 TRP 34 14.489 12.629 8.602 278 HE1 TRP 34 HE1 TRP 34 16.538 14.181 8.534 279 HE3 TRP 34 HE3 TRP 34 17.988 9.247 7.079 280 HZ2 TRP 34 HZ2 TRP 34 19.287 13.985 7.899 281 HZ3 TRP 34 HZ3 TRP 34 20.302 9.999 6.756 282 HH2 TRP 34 HH2 TRP 34 20.941 12.322 7.158 283 H GLU 35 HN GLU 35 15.100 7.480 5.096 284 HA GLU 35 HA GLU 35 13.257 5.698 6.583 285 HB2 GLU 35 HB2 GLU 35 14.179 5.323 3.709 286 HB3 GLU 35 HB1 GLU 35 13.034 4.308 4.581 287 HG2 GLU 35 HG2 GLU 35 12.643 7.143 3.588 288 HG3 GLU 35 HG1 GLU 35 11.841 5.685 3.012 289 HA PRO 36 HA PRO 36 17.143 3.595 7.692 290 HB2 PRO 36 HB2 PRO 36 16.049 1.215 8.584 291 HB3 PRO 36 HB1 PRO 36 16.083 2.699 9.546 292 HG2 PRO 36 HG2 PRO 36 13.833 1.559 7.901 293 HG3 PRO 36 HG1 PRO 36 13.784 2.274 9.526 294 HD2 PRO 36 HD2 PRO 36 13.038 3.667 7.319 295 HD3 PRO 36 HD1 PRO 36 13.821 4.464 8.700 296 H GLU 37 HN GLU 37 18.425 1.859 6.892 297 HA GLU 37 HA GLU 37 18.196 1.321 4.152 298 HB2 GLU 37 HB2 GLU 37 20.092 -0.425 4.658 299 HB3 GLU 37 HB1 GLU 37 20.403 1.283 4.893 300 HG2 GLU 37 HG2 GLU 37 21.344 -0.114 6.695 301 HG3 GLU 37 HG1 GLU 37 20.199 1.082 7.283 302 H GLU 38 HN GLU 38 16.923 -0.461 6.840 303 HA GLU 38 HA GLU 38 16.450 -2.947 5.526 304 HB2 GLU 38 HB2 GLU 38 14.986 -3.454 7.459 305 HB3 GLU 38 HB1 GLU 38 16.546 -2.814 7.970 306 HG2 GLU 38 HG2 GLU 38 15.572 -0.646 8.449 307 HG3 GLU 38 HG1 GLU 38 14.021 -1.144 7.773 308 H ASN 39 HN ASN 39 14.724 0.087 5.720 309 HA ASN 39 HA ASN 39 12.270 -0.922 4.495 310 HB2 ASN 39 HB2 ASN 39 13.140 1.794 5.541 311 HB3 ASN 39 HB1 ASN 39 11.684 1.624 4.571 312 HD21 ASN 39 HD21 ASN 39 10.300 2.245 6.203 313 HD22 ASN 39 HD22 ASN 39 10.001 1.288 7.612 314 H LEU 40 HN LEU 40 15.286 0.327 3.446 315 HA LEU 40 HA LEU 40 14.385 1.572 1.002 316 HB2 LEU 40 HB2 LEU 40 17.198 0.657 1.727 317 HB3 LEU 40 HB1 LEU 40 16.761 1.728 0.402 318 HG LEU 40 HG LEU 40 16.732 2.319 3.375 319 HD11 LEU 40 HD11 LEU 40 18.173 4.195 2.760 320 HD12 LEU 40 HD12 LEU 40 18.105 3.714 1.061 321 HD13 LEU 40 HD13 LEU 40 18.865 2.656 2.255 322 HD21 LEU 40 HD21 LEU 40 14.640 3.184 2.557 323 HD22 LEU 40 HD22 LEU 40 15.448 3.978 1.205 324 HD23 LEU 40 HD23 LEU 40 15.749 4.520 2.860 325 H ASP 41 HN ASP 41 13.832 0.559 -0.809 326 HA ASP 41 HA ASP 41 14.856 -2.179 -1.373 327 HB2 ASP 41 HB2 ASP 41 12.329 -1.895 -1.028 328 HB3 ASP 41 HB1 ASP 41 12.308 -0.875 -2.465 329 H CYS 42 HN CYS 42 16.090 0.507 -1.831 330 HA CYS 42 HA CYS 42 16.327 0.526 -4.795 331 HB2 CYS 42 HB2 CYS 42 16.784 2.980 -4.526 332 HB3 CYS 42 HB1 CYS 42 15.154 2.518 -4.047 333 HG CYS 42 HG CYS 42 17.686 2.958 -1.776 334 HA PRO 43 HA PRO 43 20.472 -0.700 -3.048 335 HB2 PRO 43 HB2 PRO 43 20.783 -1.862 -5.794 336 HB3 PRO 43 HB1 PRO 43 21.030 -2.622 -4.215 337 HG2 PRO 43 HG2 PRO 43 18.891 -3.236 -5.694 338 HG3 PRO 43 HG1 PRO 43 18.746 -3.070 -3.929 339 HD2 PRO 43 HD2 PRO 43 18.015 -1.078 -6.086 340 HD3 PRO 43 HD1 PRO 43 17.088 -1.569 -4.648 341 H GLU 44 HN GLU 44 19.978 0.470 -6.389 342 HA GLU 44 HA GLU 44 22.638 1.296 -6.899 343 HB2 GLU 44 HB2 GLU 44 20.103 2.303 -8.254 344 HB3 GLU 44 HB1 GLU 44 21.747 2.411 -8.896 345 HG2 GLU 44 HG2 GLU 44 21.833 -0.076 -8.951 346 HG3 GLU 44 HG1 GLU 44 20.158 -0.117 -8.402 347 H LEU 45 HN LEU 45 19.957 2.905 -5.402 348 HA LEU 45 HA LEU 45 20.943 5.591 -5.721 349 HB2 LEU 45 HB2 LEU 45 18.706 4.506 -3.986 350 HB3 LEU 45 HB1 LEU 45 18.998 6.212 -4.335 351 HG LEU 45 HG LEU 45 18.078 4.046 -6.271 352 HD11 LEU 45 HD11 LEU 45 16.099 5.464 -6.541 353 HD12 LEU 45 HD12 LEU 45 16.742 6.604 -5.357 354 HD13 LEU 45 HD13 LEU 45 16.322 4.962 -4.867 355 HD21 LEU 45 HD21 LEU 45 18.071 5.761 -8.054 356 HD22 LEU 45 HD22 LEU 45 19.697 5.420 -7.474 357 HD23 LEU 45 HD23 LEU 45 18.875 6.899 -6.968 358 H ILE 46 HN ILE 46 20.895 3.171 -3.125 359 HA ILE 46 HA ILE 46 22.185 4.707 -1.106 360 HB ILE 46 HB ILE 46 22.343 1.682 -1.578 361 HG12 ILE 46 HG12 ILE 46 20.435 3.230 0.248 362 HG13 ILE 46 HG11 ILE 46 19.987 2.546 -1.313 363 HG21 ILE 46 HG21 ILE 46 24.113 2.455 -0.053 364 HG22 ILE 46 HG22 ILE 46 22.908 1.519 0.831 365 HG23 ILE 46 HG23 ILE 46 22.915 3.281 0.950 366 HD11 ILE 46 HD11 ILE 46 19.232 1.151 0.528 367 HD12 ILE 46 HD12 ILE 46 20.886 0.981 1.112 368 HD13 ILE 46 HD13 ILE 46 20.424 0.292 -0.447 369 H GLU 47 HN GLU 47 23.365 2.473 -3.588 370 HA GLU 47 HA GLU 47 26.113 2.609 -3.227 371 HB2 GLU 47 HB2 GLU 47 25.145 0.960 -4.732 372 HB3 GLU 47 HB1 GLU 47 24.476 2.213 -5.768 373 HG2 GLU 47 HG2 GLU 47 26.848 2.890 -6.329 374 HG3 GLU 47 HG1 GLU 47 27.404 1.492 -5.412 375 H ALA 48 HN ALA 48 24.003 4.689 -5.194 376 HA ALA 48 HA ALA 48 25.977 6.180 -6.535 377 HB1 ALA 48 HB1 ALA 48 24.165 7.759 -7.106 378 HB2 ALA 48 HB2 ALA 48 23.117 6.990 -5.908 379 HB3 ALA 48 HB3 ALA 48 23.645 6.086 -7.328 380 H PHE 49 HN PHE 49 24.287 6.661 -3.502 381 HA PHE 49 HA PHE 49 25.282 9.231 -2.822 382 HB2 PHE 49 HB2 PHE 49 23.276 8.429 -1.769 383 HB3 PHE 49 HB1 PHE 49 24.070 6.959 -1.215 384 HD1 PHE 49 HD2 PHE 49 24.271 10.691 -0.823 385 HD2 PHE 49 HD1 PHE 49 24.831 6.862 1.002 386 HE1 PHE 49 HE2 PHE 49 24.789 11.775 1.319 387 HE2 PHE 49 HE1 PHE 49 25.352 7.963 3.132 388 HZ PHE 49 HZ PHE 49 25.336 10.408 3.286 389 H LEU 50 HN LEU 50 26.298 5.931 -1.925 390 HA LEU 50 HA LEU 50 28.573 6.698 -0.362 391 HB2 LEU 50 HB2 LEU 50 27.976 4.020 -1.703 392 HB3 LEU 50 HB1 LEU 50 29.170 4.289 -0.437 393 HG LEU 50 HG LEU 50 26.144 4.538 -0.127 394 HD11 LEU 50 HD11 LEU 50 26.295 2.561 1.300 395 HD12 LEU 50 HD12 LEU 50 28.027 2.440 0.984 396 HD13 LEU 50 HD13 LEU 50 26.869 2.218 -0.332 397 HD21 LEU 50 HD21 LEU 50 28.289 4.908 1.993 398 HD22 LEU 50 HD22 LEU 50 26.546 4.866 2.279 399 HD23 LEU 50 HD23 LEU 50 27.248 6.167 1.322 400 H ASN 51 HN ASN 51 27.986 6.303 -3.747 401 HA ASN 51 HA ASN 51 30.673 5.928 -4.685 402 HB2 ASN 51 HB2 ASN 51 28.579 5.214 -5.949 403 HB3 ASN 51 HB1 ASN 51 28.257 6.913 -6.265 404 HD21 ASN 51 HD21 ASN 51 30.177 4.150 -7.053 405 HD22 ASN 51 HD22 ASN 51 30.964 4.815 -8.442 406 H SER 52 HN SER 52 28.605 8.631 -3.922 407 HA SER 52 HA SER 52 30.213 10.713 -5.055 408 HB2 SER 52 HB2 SER 52 28.250 10.876 -2.733 409 HB3 SER 52 HB1 SER 52 28.809 12.225 -3.729 410 HG SER 52 HG SER 52 26.942 10.239 -4.275 411 H GLN 53 HN GLN 53 30.252 8.896 -2.058 412 HA GLN 53 HA GLN 53 32.307 10.450 -0.714 413 HB2 GLN 53 HB2 GLN 53 31.303 7.622 -0.159 414 HB3 GLN 53 HB1 GLN 53 32.279 8.603 0.937 415 HG2 GLN 53 HG2 GLN 53 30.458 10.149 1.274 416 HG3 GLN 53 HG1 GLN 53 29.500 9.388 0.004 417 HE21 GLN 53 HE21 GLN 53 27.777 9.018 1.406 418 HE22 GLN 53 HE22 GLN 53 27.825 7.808 2.640 419 H LYS 54 HN LYS 54 32.259 8.183 -3.233 420 HA LYS 54 HA LYS 54 34.931 7.067 -2.766 421 HB2 LYS 54 HB2 LYS 54 33.144 5.484 -3.398 422 HB3 LYS 54 HB1 LYS 54 32.805 6.406 -4.854 423 HG2 LYS 54 HG2 LYS 54 34.068 4.338 -5.325 424 HG3 LYS 54 HG1 LYS 54 34.952 5.781 -5.819 425 HD2 LYS 54 HD2 LYS 54 36.458 4.166 -4.756 426 HD3 LYS 54 HD1 LYS 54 36.345 5.635 -3.785 427 HE2 LYS 54 HE2 LYS 54 34.723 4.472 -2.286 428 HE3 LYS 54 HE1 LYS 54 34.937 2.995 -3.231 429 HZ1 LYS 54 HZ1 LYS 54 36.324 2.935 -1.304 430 HZ2 LYS 54 HZ2 LYS 54 37.015 4.431 -1.678 431 HZ3 LYS 54 HZ3 LYS 54 37.316 3.093 -2.665 432 H1 ALA 1 HT1 ALA 1 17.344 3.429 -16.686 433 H2 ALA 1 HT2 ALA 1 16.500 4.286 -15.497 434 H3 ALA 1 HT3 ALA 1 17.162 5.104 -16.821 435 HA ALA 1 HA ALA 1 14.760 4.828 -17.019 436 HB1 ALA 1 HB1 ALA 1 14.753 3.909 -19.310 437 HB2 ALA 1 HB2 ALA 1 16.364 3.240 -19.046 438 HB3 ALA 1 HB3 ALA 1 16.130 4.990 -19.062 439 H ARG 2 HN ARG 2 12.996 3.536 -16.778 440 HA ARG 2 HA ARG 2 11.603 1.803 -16.529 441 HB2 ARG 2 HB2 ARG 2 13.938 -0.048 -17.147 442 HB3 ARG 2 HB1 ARG 2 12.258 -0.558 -16.979 443 HG2 ARG 2 HG2 ARG 2 11.622 0.766 -18.930 444 HG3 ARG 2 HG1 ARG 2 13.266 1.388 -19.082 445 HD2 ARG 2 HD2 ARG 2 14.052 -0.967 -19.469 446 HD3 ARG 2 HD1 ARG 2 12.364 -1.492 -19.473 447 HE ARG 2 HE ARG 2 12.380 0.465 -21.350 448 HH11 ARG 2 HH11 ARG 2 14.417 -2.387 -20.956 449 HH12 ARG 2 HH12 ARG 2 14.703 -2.550 -22.659 450 HH21 ARG 2 HH21 ARG 2 12.763 0.227 -23.557 451 HH22 ARG 2 HH22 ARG 2 13.781 -1.054 -24.131 452 H THR 3 HN THR 3 14.719 1.084 -14.951 453 HA THR 3 HA THR 3 13.876 -0.431 -12.797 454 HB THR 3 HB THR 3 16.204 -0.329 -13.248 455 HG1 THR 3 HG1 THR 3 17.003 0.553 -11.095 456 HG21 THR 3 HG21 THR 3 16.184 2.661 -12.664 457 HG22 THR 3 HG22 THR 3 16.418 1.914 -14.247 458 HG23 THR 3 HG23 THR 3 17.626 1.691 -12.979 459 H LYS 4 HN LYS 4 12.013 0.219 -11.814 460 HA LYS 4 HA LYS 4 11.644 2.887 -10.730 461 HB2 LYS 4 HB2 LYS 4 9.719 1.646 -11.667 462 HB3 LYS 4 HB1 LYS 4 9.926 0.377 -10.466 463 HG2 LYS 4 HG2 LYS 4 9.306 1.894 -8.673 464 HG3 LYS 4 HG1 LYS 4 9.275 3.266 -9.778 465 HD2 LYS 4 HD2 LYS 4 7.408 0.893 -10.175 466 HD3 LYS 4 HD1 LYS 4 7.008 2.185 -9.043 467 HE2 LYS 4 HE2 LYS 4 5.909 2.625 -11.164 468 HE3 LYS 4 HE1 LYS 4 7.164 3.833 -10.913 469 HZ1 LYS 4 HZ1 LYS 4 8.578 2.648 -12.440 470 HZ2 LYS 4 HZ2 LYS 4 7.106 3.002 -13.185 471 HZ3 LYS 4 HZ3 LYS 4 7.421 1.434 -12.640 472 H GLN 5 HN GLN 5 13.468 2.972 -9.387 473 HA GLN 5 HA GLN 5 13.899 1.186 -7.200 474 HB2 GLN 5 HB2 GLN 5 15.020 3.923 -7.878 475 HB3 GLN 5 HB1 GLN 5 15.530 3.007 -6.464 476 HG2 GLN 5 HG2 GLN 5 15.772 2.024 -9.323 477 HG3 GLN 5 HG1 GLN 5 17.061 2.814 -8.413 478 HE21 GLN 5 HE21 GLN 5 18.392 1.018 -8.580 479 HE22 GLN 5 HE22 GLN 5 18.121 -0.449 -7.710 480 H THR 6 HN THR 6 12.912 1.157 -5.310 481 HA THR 6 HA THR 6 11.103 3.365 -4.538 482 HB THR 6 HB THR 6 9.809 1.794 -5.919 483 HG1 THR 6 HG1 THR 6 8.213 2.056 -4.587 484 HG21 THR 6 HG21 THR 6 9.475 -0.567 -5.262 485 HG22 THR 6 HG22 THR 6 10.661 -0.378 -3.968 486 HG23 THR 6 HG23 THR 6 11.164 -0.237 -5.656 487 H ALA 7 HN ALA 7 9.991 2.586 -2.368 488 HA ALA 7 HA ALA 7 11.643 1.113 -0.522 489 HB1 ALA 7 HB1 ALA 7 11.404 4.127 -0.165 490 HB2 ALA 7 HB2 ALA 7 12.871 3.256 -0.613 491 HB3 ALA 7 HB3 ALA 7 12.149 3.003 0.977 492 H ARG 8 HN ARG 8 10.751 1.787 1.812 493 HA ARG 8 HA ARG 8 7.792 1.537 1.795 494 HB2 ARG 8 HB2 ARG 8 9.017 -0.672 1.869 495 HB3 ARG 8 HB1 ARG 8 9.853 -0.132 3.319 496 HG2 ARG 8 HG2 ARG 8 7.675 -0.103 4.526 497 HG3 ARG 8 HG1 ARG 8 6.878 -0.691 3.058 498 HD2 ARG 8 HD2 ARG 8 8.339 -2.705 3.100 499 HD3 ARG 8 HD1 ARG 8 9.083 -2.119 4.588 500 HE ARG 8 HE ARG 8 6.235 -2.448 4.812 501 HH11 ARG 8 HH11 ARG 8 9.330 -4.100 5.043 502 HH12 ARG 8 HH12 ARG 8 8.691 -5.451 5.927 503 HH21 ARG 8 HH21 ARG 8 5.395 -4.258 5.950 504 HH22 ARG 8 HH22 ARG 8 6.465 -5.534 6.442 505 H M3L 9 HN M3L 9 6.868 2.901 3.401 506 HA M3L 9 HA M3L 9 8.773 4.521 4.919 507 HB2 M3L 9 HB2 M3L 9 5.829 4.909 4.349 508 HB3 M3L 9 HB1 M3L 9 6.721 5.938 5.472 509 HG2 M3L 9 HG2 M3L 9 8.322 6.484 3.629 510 HG3 M3L 9 HG1 M3L 9 7.297 5.567 2.519 511 HD2 M3L 9 HD2 M3L 9 5.391 7.156 3.197 512 HD3 M3L 9 HD1 M3L 9 6.627 8.140 3.997 513 HE2 M3L 9 HE2 M3L 9 7.844 8.246 1.787 514 HE3 M3L 9 HE1 M3L 9 6.473 7.420 1.049 515 HM11 M3L 9 HH33 M3L 9 6.311 10.172 3.642 516 HM12 M3L 9 HH31 M3L 9 6.133 11.465 2.447 517 HM13 M3L 9 HH32 M3L 9 7.661 10.590 2.584 518 HM21 M3L 9 HH11 M3L 9 4.283 8.966 2.690 519 HM22 M3L 9 HH12 M3L 9 4.213 8.594 0.967 520 HM23 M3L 9 HH13 M3L 9 4.077 10.267 1.511 521 HM31 M3L 9 HH21 M3L 9 5.990 10.919 0.011 522 HM32 M3L 9 HH22 M3L 9 6.108 9.247 -0.543 523 HM33 M3L 9 HH23 M3L 9 7.529 10.061 0.116 524 H SER 10 HN SER 10 6.438 2.057 5.524 525 HA SER 10 HA SER 10 7.208 2.009 8.352 526 HB2 SER 10 HB2 SER 10 4.279 1.946 7.465 527 HB3 SER 10 HB1 SER 10 4.868 1.751 9.117 528 HG SER 10 HG SER 10 5.368 3.854 9.213 529 H THR 11 HN THR 11 7.266 -0.043 9.205 530 HA THR 11 HA THR 11 7.204 -2.321 7.483 531 HB THR 11 HB THR 11 7.370 -2.233 10.538 532 HG1 THR 11 HG1 THR 11 9.716 -2.686 9.789 533 HG21 THR 11 HG21 THR 11 8.143 -4.433 8.580 534 HG22 THR 11 HG22 THR 11 6.778 -4.488 9.700 535 HG23 THR 11 HG23 THR 11 8.432 -4.467 10.318 536 H GLY 12 HN GLY 12 5.089 -2.244 6.619 537 HA2 GLY 12 HA2 GLY 12 2.780 -2.749 8.393 538 HA3 GLY 12 HA1 GLY 12 2.722 -2.248 6.710 539 H GLY 13 HN GLY 13 2.258 -4.851 8.749 540 HA2 GLY 13 HA2 GLY 13 2.854 -6.911 6.692 541 HA3 GLY 13 HA1 GLY 13 2.545 -7.208 8.402 542 H LYS 14 HN LYS 14 0.401 -7.090 9.199 543 HA LYS 14 HA LYS 14 -1.834 -6.500 7.496 544 HB2 LYS 14 HB2 LYS 14 -1.378 -8.787 6.691 545 HB3 LYS 14 HB1 LYS 14 -1.385 -9.405 8.337 546 HG2 LYS 14 HG2 LYS 14 -3.472 -9.967 7.183 547 HG3 LYS 14 HG1 LYS 14 -3.783 -8.897 8.548 548 HD2 LYS 14 HD2 LYS 14 -5.153 -8.239 6.633 549 HD3 LYS 14 HD1 LYS 14 -3.983 -6.970 6.994 550 HE2 LYS 14 HE2 LYS 14 -2.578 -7.707 5.121 551 HE3 LYS 14 HE1 LYS 14 -3.681 -9.045 4.786 552 HZ1 LYS 14 HZ1 LYS 14 -4.407 -6.165 4.641 553 HZ2 LYS 14 HZ2 LYS 14 -5.397 -7.475 4.227 554 HZ3 LYS 14 HZ3 LYS 14 -4.015 -7.139 3.317 555 H ALA 15 HN ALA 15 -1.611 -8.781 10.264 556 HA ALA 15 HA ALA 15 -2.308 -6.973 12.319 557 HB1 ALA 15 HB1 ALA 15 -4.477 -6.830 11.134 558 HB2 ALA 15 HB2 ALA 15 -4.679 -7.601 12.710 559 HB3 ALA 15 HB3 ALA 15 -4.662 -8.580 11.241 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 9.405 -1.566 -4.325 2 H2 GLY 1 HT2 GLY 1 8.874 -2.959 -3.536 3 H3 GLY 1 HT3 GLY 1 10.469 -2.445 -3.353 4 HA2 GLY 1 HA1 GLY 1 9.266 -1.881 -1.385 5 HA3 GLY 1 HA2 GLY 1 9.704 -0.421 -2.266 6 H GLU 2 HN GLU 2 8.019 0.876 -1.588 7 HA GLU 2 HA GLU 2 5.326 0.215 -2.597 8 HB2 GLU 2 HB2 GLU 2 4.342 1.171 -0.458 9 HB3 GLU 2 HB1 GLU 2 5.153 -0.383 -0.276 10 HG2 GLU 2 HG2 GLU 2 7.149 0.757 0.629 11 HG3 GLU 2 HG1 GLU 2 6.346 2.316 0.446 12 H PHE 3 HN PHE 3 7.819 2.580 -2.087 13 HA PHE 3 HA PHE 3 6.241 4.562 -3.589 14 HB2 PHE 3 HB2 PHE 3 7.739 5.196 -0.994 15 HB3 PHE 3 HB1 PHE 3 7.150 6.421 -2.111 16 HD1 PHE 3 HD1 PHE 3 4.648 6.623 -2.524 17 HD2 PHE 3 HD2 PHE 3 6.262 4.225 0.626 18 HE1 PHE 3 HE1 PHE 3 2.451 6.579 -1.419 19 HE2 PHE 3 HE2 PHE 3 4.057 4.189 1.724 20 HZ PHE 3 HZ PHE 3 2.152 5.363 0.699 21 H VAL 4 HN VAL 4 7.406 5.650 -5.112 22 HA VAL 4 HA VAL 4 10.019 4.688 -5.812 23 HB VAL 4 HB VAL 4 9.889 6.289 -7.745 24 HG11 VAL 4 HG11 VAL 4 7.398 4.584 -7.343 25 HG12 VAL 4 HG12 VAL 4 8.952 4.037 -7.982 26 HG13 VAL 4 HG13 VAL 4 7.986 5.196 -8.894 27 HG21 VAL 4 HG21 VAL 4 7.185 7.110 -6.583 28 HG22 VAL 4 HG22 VAL 4 7.814 7.595 -8.162 29 HG23 VAL 4 HG23 VAL 4 8.617 8.137 -6.686 30 H VAL 5 HN VAL 5 11.974 5.581 -5.502 31 HA VAL 5 HA VAL 5 12.181 8.361 -4.537 32 HB VAL 5 HB VAL 5 12.667 7.155 -2.552 33 HG11 VAL 5 HG11 VAL 5 14.207 5.247 -2.338 34 HG12 VAL 5 HG12 VAL 5 14.497 5.277 -4.082 35 HG13 VAL 5 HG13 VAL 5 12.892 4.883 -3.463 36 HG21 VAL 5 HG21 VAL 5 14.335 8.920 -2.995 37 HG22 VAL 5 HG22 VAL 5 15.374 7.753 -3.810 38 HG23 VAL 5 HG23 VAL 5 15.062 7.594 -2.081 39 H GLU 6 HN GLU 6 13.488 9.602 -5.601 40 HA GLU 6 HA GLU 6 14.796 9.115 -8.000 41 HB2 GLU 6 HB2 GLU 6 14.130 11.351 -7.300 42 HB3 GLU 6 HB1 GLU 6 15.153 11.266 -5.874 43 HG2 GLU 6 HG2 GLU 6 16.153 12.741 -7.487 44 HG3 GLU 6 HG1 GLU 6 17.155 11.313 -7.323 45 H LYS 7 HN LYS 7 16.477 9.897 -4.918 46 HA LYS 7 HA LYS 7 17.892 7.495 -4.689 47 HB2 LYS 7 HB2 LYS 7 20.195 8.082 -5.133 48 HB3 LYS 7 HB1 LYS 7 19.259 8.391 -6.583 49 HG2 LYS 7 HG2 LYS 7 19.711 10.748 -4.793 50 HG3 LYS 7 HG1 LYS 7 21.145 10.101 -5.586 51 HD2 LYS 7 HD2 LYS 7 18.619 11.074 -6.971 52 HD3 LYS 7 HD1 LYS 7 20.168 11.922 -6.915 53 HE2 LYS 7 HE2 LYS 7 21.211 10.084 -8.202 54 HE3 LYS 7 HE1 LYS 7 19.672 9.221 -8.242 55 HZ1 LYS 7 HZ1 LYS 7 20.004 10.365 -10.279 56 HZ2 LYS 7 HZ2 LYS 7 20.277 11.830 -9.487 57 HZ3 LYS 7 HZ3 LYS 7 18.745 11.124 -9.446 58 H VAL 8 HN VAL 8 19.600 7.621 -2.964 59 HA VAL 8 HA VAL 8 18.771 9.019 -0.648 60 HB VAL 8 HB VAL 8 21.472 7.717 -1.221 61 HG11 VAL 8 HG11 VAL 8 20.196 8.388 1.458 62 HG12 VAL 8 HG12 VAL 8 21.531 9.270 0.710 63 HG13 VAL 8 HG13 VAL 8 21.755 7.596 1.211 64 HG21 VAL 8 HG21 VAL 8 19.640 6.086 -1.517 65 HG22 VAL 8 HG22 VAL 8 19.014 6.480 0.086 66 HG23 VAL 8 HG23 VAL 8 20.590 5.705 -0.076 67 H LEU 9 HN LEU 9 19.564 10.883 0.276 68 HA LEU 9 HA LEU 9 21.303 12.627 -1.359 69 HB2 LEU 9 HB2 LEU 9 19.143 13.403 0.635 70 HB3 LEU 9 HB1 LEU 9 20.132 14.526 -0.291 71 HG LEU 9 HG LEU 9 18.062 12.601 -1.440 72 HD11 LEU 9 HD11 LEU 9 17.014 14.460 -0.280 73 HD12 LEU 9 HD12 LEU 9 16.799 14.642 -2.016 74 HD13 LEU 9 HD13 LEU 9 17.997 15.625 -1.171 75 HD21 LEU 9 HD21 LEU 9 18.471 13.686 -3.619 76 HD22 LEU 9 HD22 LEU 9 19.917 12.877 -3.025 77 HD23 LEU 9 HD23 LEU 9 19.786 14.634 -2.912 78 H ASP 10 HN ASP 10 20.770 11.217 1.826 79 HA ASP 10 HA ASP 10 23.315 12.131 2.840 80 HB2 ASP 10 HB2 ASP 10 21.699 14.114 3.135 81 HB3 ASP 10 HB1 ASP 10 20.829 13.124 4.299 82 H ARG 11 HN ARG 11 23.684 11.326 5.109 83 HA ARG 11 HA ARG 11 22.132 8.912 5.820 84 HB2 ARG 11 HB2 ARG 11 23.970 8.140 4.426 85 HB3 ARG 11 HB1 ARG 11 25.137 9.088 5.337 86 HG2 ARG 11 HG2 ARG 11 24.837 7.613 7.285 87 HG3 ARG 11 HG1 ARG 11 23.598 6.695 6.422 88 HD2 ARG 11 HD2 ARG 11 25.237 5.937 4.784 89 HD3 ARG 11 HD1 ARG 11 26.483 6.957 5.501 90 HE ARG 11 HE ARG 11 25.847 5.419 7.579 91 HH11 ARG 11 HH11 ARG 11 26.415 4.433 4.259 92 HH12 ARG 11 HH12 ARG 11 27.116 2.914 4.701 93 HH21 ARG 11 HH21 ARG 11 26.806 3.431 8.141 94 HH22 ARG 11 HH22 ARG 11 27.349 2.355 6.891 95 H ARG 12 HN ARG 12 22.157 8.393 7.989 96 HA ARG 12 HA ARG 12 23.919 9.689 9.917 97 HB2 ARG 12 HB2 ARG 12 22.179 10.640 11.299 98 HB3 ARG 12 HB1 ARG 12 21.880 11.218 9.663 99 HG2 ARG 12 HG2 ARG 12 20.171 9.343 9.429 100 HG3 ARG 12 HG1 ARG 12 20.367 9.053 11.161 101 HD2 ARG 12 HD2 ARG 12 19.427 11.649 9.887 102 HD3 ARG 12 HD1 ARG 12 18.391 10.440 10.650 103 HE ARG 12 HE ARG 12 20.495 11.815 12.204 104 HH11 ARG 12 HH11 ARG 12 17.128 10.950 11.784 105 HH12 ARG 12 HH12 ARG 12 16.596 11.835 13.178 106 HH21 ARG 12 HH21 ARG 12 19.813 12.924 14.057 107 HH22 ARG 12 HH22 ARG 12 18.135 12.939 14.487 108 H VAL 13 HN VAL 13 23.421 8.707 12.175 109 HA VAL 13 HA VAL 13 22.255 5.988 12.029 110 HB VAL 13 HB VAL 13 24.805 6.751 13.533 111 HG11 VAL 13 HG11 VAL 13 23.356 4.069 13.460 112 HG12 VAL 13 HG12 VAL 13 23.488 5.142 14.856 113 HG13 VAL 13 HG13 VAL 13 24.930 4.362 14.207 114 HG21 VAL 13 HG21 VAL 13 25.217 6.442 11.119 115 HG22 VAL 13 HG22 VAL 13 24.448 4.854 11.178 116 HG23 VAL 13 HG23 VAL 13 25.955 5.138 12.054 117 H VAL 14 HN VAL 14 20.546 5.895 13.352 118 HA VAL 14 HA VAL 14 20.551 7.322 15.954 119 HB VAL 14 HB VAL 14 18.112 6.844 14.163 120 HG11 VAL 14 HG11 VAL 14 16.878 8.250 15.801 121 HG12 VAL 14 HG12 VAL 14 18.316 8.316 16.822 122 HG13 VAL 14 HG13 VAL 14 17.504 6.774 16.542 123 HG21 VAL 14 HG21 VAL 14 19.535 8.603 13.213 124 HG22 VAL 14 HG22 VAL 14 19.548 9.455 14.759 125 HG23 VAL 14 HG23 VAL 14 18.041 9.297 13.852 126 H ASN 15 HN ASN 15 20.455 5.920 17.587 127 HA ASN 15 HA ASN 15 20.021 4.183 18.948 128 HB2 ASN 15 HB2 ASN 15 17.660 3.655 17.087 129 HB3 ASN 15 HB1 ASN 15 17.862 2.946 18.686 130 HD21 ASN 15 HD21 ASN 15 18.890 5.482 19.871 131 HD22 ASN 15 HD22 ASN 15 17.504 6.496 20.018 132 H GLY 16 HN GLY 16 21.792 3.838 16.658 133 HA2 GLY 16 HA2 GLY 16 23.282 2.066 16.202 134 HA3 GLY 16 HA1 GLY 16 22.040 0.904 16.655 135 H LYS 17 HN LYS 17 20.103 2.539 14.950 136 HA LYS 17 HA LYS 17 20.342 0.970 12.551 137 HB2 LYS 17 HB2 LYS 17 18.077 1.118 12.911 138 HB3 LYS 17 HB1 LYS 17 18.252 2.480 14.007 139 HG2 LYS 17 HG2 LYS 17 18.412 3.979 12.000 140 HG3 LYS 17 HG1 LYS 17 18.025 2.591 10.980 141 HD2 LYS 17 HD2 LYS 17 16.016 3.916 11.382 142 HD3 LYS 17 HD1 LYS 17 15.856 2.349 12.185 143 HE2 LYS 17 HE2 LYS 17 16.295 3.325 14.340 144 HE3 LYS 17 HE1 LYS 17 16.783 4.860 13.617 145 HZ1 LYS 17 HZ1 LYS 17 14.543 5.204 12.860 146 HZ2 LYS 17 HZ2 LYS 17 14.547 4.931 14.529 147 HZ3 LYS 17 HZ3 LYS 17 14.055 3.704 13.477 148 H VAL 18 HN VAL 18 20.508 1.840 10.444 149 HA VAL 18 HA VAL 18 21.876 4.462 10.245 150 HB VAL 18 HB VAL 18 21.995 2.132 8.274 151 HG11 VAL 18 HG11 VAL 18 23.849 3.380 7.214 152 HG12 VAL 18 HG12 VAL 18 23.617 4.703 8.360 153 HG13 VAL 18 HG13 VAL 18 22.353 4.317 7.190 154 HG21 VAL 18 HG21 VAL 18 23.125 1.522 10.384 155 HG22 VAL 18 HG22 VAL 18 24.090 2.999 10.305 156 HG23 VAL 18 HG23 VAL 18 24.302 1.743 9.084 157 H GLU 19 HN GLU 19 20.609 6.041 9.456 158 HA GLU 19 HA GLU 19 18.261 5.384 7.793 159 HB2 GLU 19 HB2 GLU 19 18.776 7.960 9.325 160 HB3 GLU 19 HB1 GLU 19 17.284 7.490 8.511 161 HG2 GLU 19 HG2 GLU 19 17.110 5.571 10.137 162 HG3 GLU 19 HG1 GLU 19 18.488 6.247 11.006 163 H TYR 20 HN TYR 20 17.735 6.802 6.043 164 HA TYR 20 HA TYR 20 19.952 8.259 4.773 165 HB2 TYR 20 HB2 TYR 20 18.391 5.941 3.540 166 HB3 TYR 20 HB1 TYR 20 19.360 7.059 2.593 167 HD1 TYR 20 HD1 TYR 20 21.856 7.122 2.918 168 HD2 TYR 20 HD2 TYR 20 19.457 4.107 4.760 169 HE1 TYR 20 HE1 TYR 20 23.847 5.755 3.248 170 HE2 TYR 20 HE2 TYR 20 21.476 2.742 5.094 171 HH TYR 20 HH TYR 20 23.735 2.528 4.029 172 H PHE 21 HN PHE 21 19.205 10.169 4.021 173 HA PHE 21 HA PHE 21 16.397 10.828 4.093 174 HB2 PHE 21 HB2 PHE 21 18.228 12.413 4.820 175 HB3 PHE 21 HB1 PHE 21 18.744 12.536 3.140 176 HD1 PHE 21 HD2 PHE 21 15.802 13.076 5.380 177 HD2 PHE 21 HD1 PHE 21 17.745 14.179 1.733 178 HE1 PHE 21 HE2 PHE 21 14.168 14.876 5.045 179 HE2 PHE 21 HE1 PHE 21 16.098 15.977 1.407 180 HZ PHE 21 HZ PHE 21 14.308 16.324 3.060 181 H LEU 22 HN LEU 22 15.119 10.253 2.462 182 HA LEU 22 HA LEU 22 16.215 9.687 -0.199 183 HB2 LEU 22 HB2 LEU 22 13.536 9.013 1.070 184 HB3 LEU 22 HB1 LEU 22 14.031 8.532 -0.549 185 HG LEU 22 HG LEU 22 15.186 7.572 2.093 186 HD11 LEU 22 HD11 LEU 22 14.428 5.378 1.318 187 HD12 LEU 22 HD12 LEU 22 13.789 6.095 -0.159 188 HD13 LEU 22 HD13 LEU 22 13.091 6.515 1.408 189 HD21 LEU 22 HD21 LEU 22 16.244 6.991 -0.704 190 HD22 LEU 22 HD22 LEU 22 16.762 6.179 0.776 191 HD23 LEU 22 HD23 LEU 22 17.075 7.897 0.563 192 H LYS 23 HN LYS 23 15.897 11.112 -1.844 193 HA LYS 23 HA LYS 23 13.804 13.100 -1.780 194 HB2 LYS 23 HB2 LYS 23 16.172 13.194 -3.052 195 HB3 LYS 23 HB1 LYS 23 15.286 12.386 -4.335 196 HG2 LYS 23 HG2 LYS 23 14.652 15.100 -3.118 197 HG3 LYS 23 HG1 LYS 23 15.371 14.809 -4.703 198 HD2 LYS 23 HD2 LYS 23 13.282 13.753 -5.468 199 HD3 LYS 23 HD1 LYS 23 12.571 13.952 -3.869 200 HE2 LYS 23 HE2 LYS 23 11.776 15.693 -5.451 201 HE3 LYS 23 HE1 LYS 23 12.631 16.384 -4.073 202 HZ1 LYS 23 HZ1 LYS 23 14.589 16.631 -5.464 203 HZ2 LYS 23 HZ2 LYS 23 13.270 17.438 -6.142 204 HZ3 LYS 23 HZ3 LYS 23 13.772 15.956 -6.780 205 H TRP 24 HN TRP 24 11.859 11.991 -1.675 206 HA TRP 24 HA TRP 24 11.174 9.723 -3.209 207 HB2 TRP 24 HB2 TRP 24 9.360 11.838 -1.973 208 HB3 TRP 24 HB1 TRP 24 8.816 10.284 -2.606 209 HD1 TRP 24 HD1 TRP 24 9.955 11.861 0.537 210 HE1 TRP 24 HE1 TRP 24 10.344 10.080 2.342 211 HE3 TRP 24 HE3 TRP 24 9.916 7.679 -2.396 212 HZ2 TRP 24 HZ2 TRP 24 10.585 7.313 2.514 213 HZ3 TRP 24 HZ3 TRP 24 10.244 5.487 -1.334 214 HH2 TRP 24 HH2 TRP 24 10.581 5.303 1.082 215 H LYS 25 HN LYS 25 10.802 9.573 -5.323 216 HA LYS 25 HA LYS 25 11.371 11.774 -7.001 217 HB2 LYS 25 HB2 LYS 25 11.890 9.288 -7.415 218 HB3 LYS 25 HB1 LYS 25 10.202 9.114 -7.888 219 HG2 LYS 25 HG2 LYS 25 10.732 11.086 -9.543 220 HG3 LYS 25 HG1 LYS 25 12.415 10.636 -9.265 221 HD2 LYS 25 HD2 LYS 25 11.668 9.517 -11.259 222 HD3 LYS 25 HD1 LYS 25 11.829 8.292 -9.996 223 HE2 LYS 25 HE2 LYS 25 9.760 7.959 -11.287 224 HE3 LYS 25 HE1 LYS 25 9.384 8.364 -9.612 225 HZ1 LYS 25 HZ1 LYS 25 7.979 9.544 -11.193 226 HZ2 LYS 25 HZ2 LYS 25 9.338 10.272 -11.888 227 HZ3 LYS 25 HZ3 LYS 25 8.921 10.625 -10.293 228 H GLY 26 HN GLY 26 8.365 10.183 -6.090 229 HA2 GLY 26 HA2 GLY 26 6.752 11.789 -7.958 230 HA3 GLY 26 HA1 GLY 26 6.206 10.419 -7.013 231 H PHE 27 HN PHE 27 8.072 12.754 -5.291 232 HA PHE 27 HA PHE 27 5.698 14.156 -4.244 233 HB2 PHE 27 HB2 PHE 27 7.737 12.698 -2.489 234 HB3 PHE 27 HB1 PHE 27 6.492 13.783 -1.888 235 HD1 PHE 27 HD1 PHE 27 4.112 13.099 -1.875 236 HD2 PHE 27 HD2 PHE 27 7.157 10.412 -3.217 237 HE1 PHE 27 HE1 PHE 27 2.540 11.211 -1.696 238 HE2 PHE 27 HE2 PHE 27 5.583 8.533 -3.026 239 HZ PHE 27 HZ PHE 27 3.271 8.933 -2.269 240 H THR 28 HN THR 28 6.258 16.094 -3.019 241 HA THR 28 HA THR 28 8.275 17.632 -4.324 242 HB THR 28 HB THR 28 6.216 18.730 -3.680 243 HG1 THR 28 HG1 THR 28 7.118 20.528 -2.470 244 HG21 THR 28 HG21 THR 28 5.575 19.181 -1.360 245 HG22 THR 28 HG22 THR 28 6.953 18.243 -0.781 246 HG23 THR 28 HG23 THR 28 5.645 17.442 -1.655 247 H ASP 29 HN ASP 29 9.844 19.015 -3.123 248 HA ASP 29 HA ASP 29 11.807 17.307 -2.018 249 HB2 ASP 29 HB2 ASP 29 12.172 19.382 -3.461 250 HB3 ASP 29 HB1 ASP 29 11.877 20.348 -2.019 251 H ALA 30 HN ALA 30 9.594 19.629 -0.562 252 HA ALA 30 HA ALA 30 10.737 19.624 2.070 253 HB1 ALA 30 HB1 ALA 30 7.950 20.420 1.170 254 HB2 ALA 30 HB2 ALA 30 9.354 21.486 1.239 255 HB3 ALA 30 HB3 ALA 30 8.688 20.813 2.729 256 H ASP 31 HN ASP 31 8.640 17.457 0.361 257 HA ASP 31 HA ASP 31 7.425 16.237 2.730 258 HB2 ASP 31 HB2 ASP 31 6.120 16.663 0.627 259 HB3 ASP 31 HB1 ASP 31 7.155 15.529 -0.227 260 H ASN 32 HN ASN 32 10.356 15.962 1.160 261 HA ASN 32 HA ASN 32 10.764 13.132 1.103 262 HB2 ASN 32 HB2 ASN 32 12.803 15.388 1.188 263 HB3 ASN 32 HB1 ASN 32 13.180 13.707 0.835 264 HD21 ASN 32 HD21 ASN 32 10.567 13.510 -0.778 265 HD22 ASN 32 HD22 ASN 32 10.957 14.286 -2.267 266 H THR 33 HN THR 33 11.769 11.758 2.598 267 HA THR 33 HA THR 33 11.997 12.764 5.385 268 HB THR 33 HB THR 33 10.745 10.757 6.177 269 HG1 THR 33 HG1 THR 33 10.706 9.203 4.735 270 HG21 THR 33 HG21 THR 33 8.469 11.417 5.503 271 HG22 THR 33 HG22 THR 33 9.133 12.363 4.169 272 HG23 THR 33 HG23 THR 33 9.456 12.845 5.836 273 H TRP 34 HN TRP 34 13.043 11.237 6.853 274 HA TRP 34 HA TRP 34 15.324 9.830 5.744 275 HB2 TRP 34 HB2 TRP 34 14.386 10.352 8.595 276 HB3 TRP 34 HB1 TRP 34 15.775 9.337 8.234 277 HD1 TRP 34 HD1 TRP 34 14.732 13.008 8.424 278 HE1 TRP 34 HE1 TRP 34 16.842 14.462 8.187 279 HE3 TRP 34 HE3 TRP 34 18.048 9.380 7.080 280 HZ2 TRP 34 HZ2 TRP 34 19.570 14.100 7.510 281 HZ3 TRP 34 HZ3 TRP 34 20.384 9.997 6.652 282 HH2 TRP 34 HH2 TRP 34 21.128 12.311 6.863 283 H GLU 35 HN GLU 35 15.031 7.767 4.994 284 HA GLU 35 HA GLU 35 13.445 5.872 6.629 285 HB2 GLU 35 HB2 GLU 35 14.158 5.651 3.690 286 HB3 GLU 35 HB1 GLU 35 13.263 4.443 4.609 287 HG2 GLU 35 HG2 GLU 35 12.378 7.230 3.833 288 HG3 GLU 35 HG1 GLU 35 11.732 5.700 3.260 289 HA PRO 36 HA PRO 36 17.457 3.939 7.443 290 HB2 PRO 36 HB2 PRO 36 16.516 1.618 8.590 291 HB3 PRO 36 HB1 PRO 36 16.630 3.165 9.440 292 HG2 PRO 36 HG2 PRO 36 14.235 1.887 8.149 293 HG3 PRO 36 HG1 PRO 36 14.353 2.731 9.706 294 HD2 PRO 36 HD2 PRO 36 13.346 3.919 7.477 295 HD3 PRO 36 HD1 PRO 36 14.226 4.839 8.713 296 H GLU 37 HN GLU 37 18.597 1.973 6.901 297 HA GLU 37 HA GLU 37 18.411 1.322 4.188 298 HB2 GLU 37 HB2 GLU 37 20.184 -0.497 4.831 299 HB3 GLU 37 HB1 GLU 37 20.590 1.194 5.000 300 HG2 GLU 37 HG2 GLU 37 21.446 0.061 6.916 301 HG3 GLU 37 HG1 GLU 37 20.080 1.034 7.446 302 H GLU 38 HN GLU 38 17.042 -0.315 6.949 303 HA GLU 38 HA GLU 38 16.342 -2.786 5.789 304 HB2 GLU 38 HB2 GLU 38 14.586 -2.881 7.621 305 HB3 GLU 38 HB1 GLU 38 16.222 -2.558 8.190 306 HG2 GLU 38 HG2 GLU 38 15.724 -0.207 8.483 307 HG3 GLU 38 HG1 GLU 38 14.143 -0.398 7.726 308 H ASN 39 HN ASN 39 14.788 0.378 5.708 309 HA ASN 39 HA ASN 39 12.363 -0.477 4.413 310 HB2 ASN 39 HB2 ASN 39 13.567 2.286 4.872 311 HB3 ASN 39 HB1 ASN 39 12.017 2.034 4.075 312 HD21 ASN 39 HD21 ASN 39 10.700 2.972 5.570 313 HD22 ASN 39 HD22 ASN 39 10.508 2.396 7.188 314 H LEU 40 HN LEU 40 15.521 0.670 3.365 315 HA LEU 40 HA LEU 40 14.835 1.589 0.786 316 HB2 LEU 40 HB2 LEU 40 17.505 0.431 1.671 317 HB3 LEU 40 HB1 LEU 40 17.227 1.421 0.241 318 HG LEU 40 HG LEU 40 17.144 2.286 3.153 319 HD11 LEU 40 HD11 LEU 40 19.357 2.218 2.172 320 HD12 LEU 40 HD12 LEU 40 18.866 3.887 2.433 321 HD13 LEU 40 HD13 LEU 40 18.829 3.205 0.805 322 HD21 LEU 40 HD21 LEU 40 15.231 3.350 2.093 323 HD22 LEU 40 HD22 LEU 40 16.238 3.922 0.761 324 HD23 LEU 40 HD23 LEU 40 16.493 4.542 2.396 325 H ASP 41 HN ASP 41 14.209 0.518 -0.983 326 HA ASP 41 HA ASP 41 14.880 -2.361 -1.317 327 HB2 ASP 41 HB2 ASP 41 12.443 -1.802 -1.211 328 HB3 ASP 41 HB1 ASP 41 12.641 -0.680 -2.551 329 H CYS 42 HN CYS 42 16.453 0.179 -1.819 330 HA CYS 42 HA CYS 42 17.110 -0.192 -4.682 331 HB2 CYS 42 HB2 CYS 42 17.563 2.291 -4.696 332 HB3 CYS 42 HB1 CYS 42 15.870 1.871 -4.488 333 HG CYS 42 HG CYS 42 15.883 3.840 -2.774 334 HA PRO 43 HA PRO 43 21.059 -0.852 -2.292 335 HB2 PRO 43 HB2 PRO 43 22.018 -2.838 -3.940 336 HB3 PRO 43 HB1 PRO 43 20.933 -3.157 -2.578 337 HG2 PRO 43 HG2 PRO 43 20.258 -2.845 -5.509 338 HG3 PRO 43 HG1 PRO 43 19.709 -4.092 -4.366 339 HD2 PRO 43 HD2 PRO 43 18.149 -1.975 -5.001 340 HD3 PRO 43 HD1 PRO 43 18.147 -2.663 -3.359 341 H GLU 44 HN GLU 44 20.262 -0.356 -5.672 342 HA GLU 44 HA GLU 44 22.823 0.415 -6.633 343 HB2 GLU 44 HB2 GLU 44 21.591 1.317 -8.594 344 HB3 GLU 44 HB1 GLU 44 21.086 -0.319 -8.186 345 HG2 GLU 44 HG2 GLU 44 19.035 0.527 -7.149 346 HG3 GLU 44 HG1 GLU 44 19.554 2.190 -7.410 347 H LEU 45 HN LEU 45 20.125 2.228 -5.206 348 HA LEU 45 HA LEU 45 21.296 4.818 -5.700 349 HB2 LEU 45 HB2 LEU 45 18.913 4.074 -3.967 350 HB3 LEU 45 HB1 LEU 45 19.367 5.709 -4.436 351 HG LEU 45 HG LEU 45 18.378 3.498 -6.302 352 HD11 LEU 45 HD11 LEU 45 16.594 4.505 -4.959 353 HD12 LEU 45 HD12 LEU 45 16.420 4.917 -6.661 354 HD13 LEU 45 HD13 LEU 45 17.051 6.113 -5.525 355 HD21 LEU 45 HD21 LEU 45 20.075 4.834 -7.469 356 HD22 LEU 45 HD22 LEU 45 19.222 6.323 -7.054 357 HD23 LEU 45 HD23 LEU 45 18.470 5.143 -8.131 358 H ILE 46 HN ILE 46 21.355 2.485 -3.077 359 HA ILE 46 HA ILE 46 22.597 4.114 -1.085 360 HB ILE 46 HB ILE 46 22.933 1.105 -1.565 361 HG12 ILE 46 HG12 ILE 46 21.054 2.517 0.387 362 HG13 ILE 46 HG11 ILE 46 20.552 1.839 -1.155 363 HG21 ILE 46 HG21 ILE 46 23.559 2.720 0.942 364 HG22 ILE 46 HG22 ILE 46 24.745 1.977 -0.133 365 HG23 ILE 46 HG23 ILE 46 23.649 0.962 0.806 366 HD11 ILE 46 HD11 ILE 46 21.663 0.294 1.189 367 HD12 ILE 46 HD12 ILE 46 21.181 -0.404 -0.360 368 HD13 ILE 46 HD13 ILE 46 19.977 0.362 0.678 369 H GLU 47 HN GLU 47 23.889 1.858 -3.507 370 HA GLU 47 HA GLU 47 26.624 2.261 -3.236 371 HB2 GLU 47 HB2 GLU 47 25.712 0.423 -4.559 372 HB3 GLU 47 HB1 GLU 47 24.974 1.550 -5.694 373 HG2 GLU 47 HG2 GLU 47 27.256 2.278 -6.405 374 HG3 GLU 47 HG1 GLU 47 27.953 1.089 -5.309 375 H ALA 48 HN ALA 48 24.275 3.967 -5.254 376 HA ALA 48 HA ALA 48 26.013 5.597 -6.748 377 HB1 ALA 48 HB1 ALA 48 24.011 6.953 -7.256 378 HB2 ALA 48 HB2 ALA 48 23.125 6.140 -5.959 379 HB3 ALA 48 HB3 ALA 48 23.656 5.227 -7.372 380 H PHE 49 HN PHE 49 24.255 6.153 -3.727 381 HA PHE 49 HA PHE 49 24.994 8.798 -3.160 382 HB2 PHE 49 HB2 PHE 49 23.194 7.819 -1.929 383 HB3 PHE 49 HB1 PHE 49 24.178 6.455 -1.414 384 HD1 PHE 49 HD1 PHE 49 24.094 10.210 -1.098 385 HD2 PHE 49 HD2 PHE 49 24.997 6.467 0.777 386 HE1 PHE 49 HE1 PHE 49 24.625 11.378 0.996 387 HE2 PHE 49 HE2 PHE 49 25.517 7.651 2.865 388 HZ PHE 49 HZ PHE 49 25.331 10.098 2.972 389 H LEU 50 HN LEU 50 26.512 5.724 -2.171 390 HA LEU 50 HA LEU 50 28.639 6.762 -0.635 391 HB2 LEU 50 HB2 LEU 50 28.516 4.168 -2.223 392 HB3 LEU 50 HB1 LEU 50 29.704 4.532 -0.976 393 HG LEU 50 HG LEU 50 26.701 4.280 -0.497 394 HD11 LEU 50 HD11 LEU 50 27.670 2.113 -1.064 395 HD12 LEU 50 HD12 LEU 50 27.211 2.167 0.637 396 HD13 LEU 50 HD13 LEU 50 28.910 2.318 0.178 397 HD21 LEU 50 HD21 LEU 50 27.736 5.834 1.093 398 HD22 LEU 50 HD22 LEU 50 28.956 4.626 1.509 399 HD23 LEU 50 HD23 LEU 50 27.259 4.339 1.902 400 H ASN 51 HN ASN 51 28.346 6.108 -4.097 401 HA ASN 51 HA ASN 51 31.058 6.738 -4.805 402 HB2 ASN 51 HB2 ASN 51 28.554 6.537 -6.539 403 HB3 ASN 51 HB1 ASN 51 30.190 6.696 -7.174 404 HD21 ASN 51 HD21 ASN 51 28.290 4.561 -7.639 405 HD22 ASN 51 HD22 ASN 51 29.038 3.106 -7.086 406 H SER 52 HN SER 52 28.151 8.607 -4.315 407 HA SER 52 HA SER 52 29.065 10.974 -5.725 408 HB2 SER 52 HB2 SER 52 26.680 10.569 -3.862 409 HB3 SER 52 HB1 SER 52 26.988 12.020 -4.822 410 HG SER 52 HG SER 52 26.919 9.518 -6.089 411 H GLN 53 HN GLN 53 29.421 9.646 -2.533 412 HA GLN 53 HA GLN 53 29.958 12.119 -1.158 413 HB2 GLN 53 HB2 GLN 53 30.583 9.235 -0.394 414 HB3 GLN 53 HB1 GLN 53 30.898 10.619 0.652 415 HG2 GLN 53 HG2 GLN 53 28.420 11.144 0.535 416 HG3 GLN 53 HG1 GLN 53 28.201 9.603 -0.293 417 HE21 GLN 53 HE21 GLN 53 28.477 7.667 0.890 418 HE22 GLN 53 HE22 GLN 53 28.517 7.653 2.616 419 H LYS 54 HN LYS 54 32.199 9.385 -1.811 420 HA LYS 54 HA LYS 54 34.422 9.211 -2.093 421 HB2 LYS 54 HB2 LYS 54 34.055 11.817 -3.628 422 HB3 LYS 54 HB1 LYS 54 35.532 10.854 -3.658 423 HG2 LYS 54 HG2 LYS 54 32.796 9.932 -4.613 424 HG3 LYS 54 HG1 LYS 54 34.117 10.484 -5.652 425 HD2 LYS 54 HD2 LYS 54 35.509 8.572 -4.873 426 HD3 LYS 54 HD1 LYS 54 34.180 8.028 -3.841 427 HE2 LYS 54 HE2 LYS 54 34.304 6.737 -5.948 428 HE3 LYS 54 HE1 LYS 54 32.784 7.622 -5.815 429 HZ1 LYS 54 HZ1 LYS 54 33.737 7.777 -8.031 430 HZ2 LYS 54 HZ2 LYS 54 35.141 8.480 -7.411 431 HZ3 LYS 54 HZ3 LYS 54 33.667 9.300 -7.303 432 H1 ALA 1 HT1 ALA 1 20.638 7.233 -14.655 433 H2 ALA 1 HT2 ALA 1 21.174 6.292 -13.357 434 H3 ALA 1 HT3 ALA 1 22.275 6.851 -14.514 435 HA ALA 1 HA ALA 1 22.447 8.126 -12.506 436 HB1 ALA 1 HB1 ALA 1 22.245 10.363 -13.515 437 HB2 ALA 1 HB2 ALA 1 21.226 9.698 -14.795 438 HB3 ALA 1 HB3 ALA 1 22.916 9.207 -14.670 439 H ARG 2 HN ARG 2 19.347 9.063 -14.063 440 HA ARG 2 HA ARG 2 18.120 9.423 -11.405 441 HB2 ARG 2 HB2 ARG 2 17.073 10.281 -14.142 442 HB3 ARG 2 HB1 ARG 2 16.331 10.649 -12.581 443 HG2 ARG 2 HG2 ARG 2 18.477 11.900 -11.986 444 HG3 ARG 2 HG1 ARG 2 18.981 11.682 -13.665 445 HD2 ARG 2 HD2 ARG 2 18.031 13.883 -13.463 446 HD3 ARG 2 HD1 ARG 2 16.869 12.899 -14.359 447 HE ARG 2 HE ARG 2 16.045 12.648 -11.782 448 HH11 ARG 2 HH11 ARG 2 16.584 15.442 -13.845 449 HH12 ARG 2 HH12 ARG 2 15.494 16.451 -12.950 450 HH21 ARG 2 HH21 ARG 2 14.671 13.964 -10.616 451 HH22 ARG 2 HH22 ARG 2 14.409 15.613 -11.103 452 H THR 3 HN THR 3 17.566 7.397 -10.759 453 HA THR 3 HA THR 3 15.874 5.719 -12.511 454 HB THR 3 HB THR 3 17.322 4.854 -9.965 455 HG1 THR 3 HG1 THR 3 18.917 4.057 -11.269 456 HG21 THR 3 HG21 THR 3 16.109 3.202 -12.221 457 HG22 THR 3 HG22 THR 3 15.406 3.402 -10.614 458 HG23 THR 3 HG23 THR 3 16.950 2.566 -10.807 459 H LYS 4 HN LYS 4 13.931 4.887 -11.680 460 HA LYS 4 HA LYS 4 12.729 6.308 -9.391 461 HB2 LYS 4 HB2 LYS 4 10.553 5.540 -10.410 462 HB3 LYS 4 HB1 LYS 4 11.484 6.649 -11.402 463 HG2 LYS 4 HG2 LYS 4 12.242 4.770 -12.816 464 HG3 LYS 4 HG1 LYS 4 11.314 3.644 -11.822 465 HD2 LYS 4 HD2 LYS 4 10.071 4.191 -13.871 466 HD3 LYS 4 HD1 LYS 4 9.218 4.803 -12.453 467 HE2 LYS 4 HE2 LYS 4 10.201 7.078 -12.922 468 HE3 LYS 4 HE1 LYS 4 10.902 6.425 -14.405 469 HZ1 LYS 4 HZ1 LYS 4 8.014 6.614 -13.748 470 HZ2 LYS 4 HZ2 LYS 4 8.643 5.899 -15.147 471 HZ3 LYS 4 HZ3 LYS 4 8.860 7.550 -14.875 472 H GLN 5 HN GLN 5 14.561 4.173 -8.971 473 HA GLN 5 HA GLN 5 13.227 1.721 -8.358 474 HB2 GLN 5 HB2 GLN 5 15.710 1.919 -8.775 475 HB3 GLN 5 HB1 GLN 5 15.870 2.781 -7.252 476 HG2 GLN 5 HG2 GLN 5 16.535 0.416 -7.065 477 HG3 GLN 5 HG1 GLN 5 15.174 0.812 -6.014 478 HE21 GLN 5 HE21 GLN 5 16.131 -0.828 -8.957 479 HE22 GLN 5 HE22 GLN 5 14.742 -1.854 -9.061 480 H THR 6 HN THR 6 12.592 0.971 -6.268 481 HA THR 6 HA THR 6 11.295 3.165 -4.825 482 HB THR 6 HB THR 6 9.754 1.322 -4.012 483 HG1 THR 6 HG1 THR 6 11.685 -0.251 -5.044 484 HG21 THR 6 HG21 THR 6 10.051 1.543 -7.028 485 HG22 THR 6 HG22 THR 6 9.162 2.667 -5.994 486 HG23 THR 6 HG23 THR 6 8.608 0.999 -6.170 487 H ALA 7 HN ALA 7 10.740 2.814 -2.579 488 HA ALA 7 HA ALA 7 12.363 1.107 -0.899 489 HB1 ALA 7 HB1 ALA 7 13.720 3.164 -1.025 490 HB2 ALA 7 HB2 ALA 7 13.052 2.955 0.594 491 HB3 ALA 7 HB3 ALA 7 12.331 4.128 -0.516 492 H ARG 8 HN ARG 8 11.588 1.768 1.498 493 HA ARG 8 HA ARG 8 8.637 1.597 1.447 494 HB2 ARG 8 HB2 ARG 8 9.838 -0.516 2.027 495 HB3 ARG 8 HB1 ARG 8 10.630 0.316 3.354 496 HG2 ARG 8 HG2 ARG 8 8.319 0.688 4.355 497 HG3 ARG 8 HG1 ARG 8 7.697 -0.393 3.100 498 HD2 ARG 8 HD2 ARG 8 9.640 -1.042 5.333 499 HD3 ARG 8 HD1 ARG 8 8.039 -1.728 5.057 500 HE ARG 8 HE ARG 8 9.128 -2.630 2.899 501 HH11 ARG 8 HH11 ARG 8 10.823 -2.301 5.960 502 HH12 ARG 8 HH12 ARG 8 11.914 -3.607 5.629 503 HH21 ARG 8 HH21 ARG 8 10.553 -4.335 2.487 504 HH22 ARG 8 HH22 ARG 8 11.742 -4.775 3.666 505 H M3L 9 HN M3L 9 7.505 2.631 3.149 506 HA M3L 9 HA M3L 9 9.033 4.564 4.793 507 HB2 M3L 9 HB2 M3L 9 6.098 4.554 3.994 508 HB3 M3L 9 HB1 M3L 9 6.814 5.692 5.141 509 HG2 M3L 9 HG2 M3L 9 8.369 6.444 3.324 510 HG3 M3L 9 HG1 M3L 9 7.467 5.423 2.189 511 HD2 M3L 9 HD2 M3L 9 5.424 6.710 2.604 512 HD3 M3L 9 HD1 M3L 9 6.236 7.652 3.863 513 HE2 M3L 9 HE2 M3L 9 7.821 8.499 2.113 514 HE3 M3L 9 HE1 M3L 9 6.859 7.659 0.891 515 HM11 M3L 9 HH33 M3L 9 4.051 8.265 2.081 516 HM12 M3L 9 HH31 M3L 9 4.509 8.414 0.381 517 HM13 M3L 9 HH32 M3L 9 3.818 9.795 1.234 518 HM21 M3L 9 HH11 M3L 9 5.795 11.209 0.613 519 HM22 M3L 9 HH12 M3L 9 6.516 9.851 -0.252 520 HM23 M3L 9 HH13 M3L 9 7.434 10.681 1.006 521 HM31 M3L 9 HH21 M3L 9 6.814 10.426 3.420 522 HM32 M3L 9 HH22 M3L 9 5.410 9.459 3.875 523 HM33 M3L 9 HH23 M3L 9 5.186 10.993 3.035 524 H SER 10 HN SER 10 6.592 2.016 4.843 525 HA SER 10 HA SER 10 6.489 2.132 7.804 526 HB2 SER 10 HB2 SER 10 4.167 1.211 7.518 527 HB3 SER 10 HB1 SER 10 4.388 2.825 6.845 528 HG SER 10 HG SER 10 4.640 1.797 4.777 529 H THR 11 HN THR 11 8.277 0.685 7.960 530 HA THR 11 HA THR 11 8.049 -2.094 7.260 531 HB THR 11 HB THR 11 9.805 -0.727 9.354 532 HG1 THR 11 HG1 THR 11 11.348 -0.746 7.771 533 HG21 THR 11 HG21 THR 11 11.209 -2.772 9.286 534 HG22 THR 11 HG22 THR 11 10.037 -3.543 8.213 535 HG23 THR 11 HG23 THR 11 9.582 -3.142 9.869 536 H GLY 12 HN GLY 12 7.161 -0.071 9.993 537 HA2 GLY 12 HA2 GLY 12 5.404 -0.427 11.481 538 HA3 GLY 12 HA1 GLY 12 5.346 -2.124 11.036 539 H GLY 13 HN GLY 13 7.628 -3.220 11.536 540 HA2 GLY 13 HA2 GLY 13 9.301 -3.714 13.088 541 HA3 GLY 13 HA1 GLY 13 8.734 -2.423 14.132 542 H LYS 14 HN LYS 14 6.177 -2.951 14.620 543 HA LYS 14 HA LYS 14 5.534 -5.706 15.122 544 HB2 LYS 14 HB2 LYS 14 7.121 -5.219 17.011 545 HB3 LYS 14 HB1 LYS 14 6.083 -3.904 17.540 546 HG2 LYS 14 HG2 LYS 14 5.017 -6.738 17.394 547 HG3 LYS 14 HG1 LYS 14 6.003 -6.223 18.764 548 HD2 LYS 14 HD2 LYS 14 4.366 -4.402 19.231 549 HD3 LYS 14 HD1 LYS 14 3.369 -4.961 17.887 550 HE2 LYS 14 HE2 LYS 14 3.039 -7.123 19.023 551 HE3 LYS 14 HE1 LYS 14 4.052 -6.582 20.363 552 HZ1 LYS 14 HZ1 LYS 14 1.743 -6.336 20.905 553 HZ2 LYS 14 HZ2 LYS 14 1.468 -5.396 19.527 554 HZ3 LYS 14 HZ3 LYS 14 2.448 -4.807 20.773 555 H ALA 15 HN ALA 15 4.912 -2.342 16.123 556 HA ALA 15 HA ALA 15 2.169 -2.466 15.104 557 HB1 ALA 15 HB1 ALA 15 2.801 -1.594 17.956 558 HB2 ALA 15 HB2 ALA 15 1.952 -3.068 17.490 559 HB3 ALA 15 HB3 ALA 15 1.220 -1.495 17.170 Start of MODEL 11 1 H1 GLY 1 HT1 GLY 1 2.115 -0.478 -3.533 2 H2 GLY 1 HT2 GLY 1 0.493 -0.029 -3.709 3 H3 GLY 1 HT3 GLY 1 1.260 0.155 -2.222 4 HA2 GLY 1 HA1 GLY 1 1.879 1.643 -4.700 5 HA3 GLY 1 HA2 GLY 1 1.057 2.279 -3.281 6 H GLU 2 HN GLU 2 4.072 0.689 -4.289 7 HA GLU 2 HA GLU 2 5.565 1.520 -1.961 8 HB2 GLU 2 HB2 GLU 2 6.410 0.167 -4.564 9 HB3 GLU 2 HB1 GLU 2 7.536 0.545 -3.265 10 HG2 GLU 2 HG2 GLU 2 6.861 -1.811 -3.206 11 HG3 GLU 2 HG1 GLU 2 6.357 -0.961 -1.747 12 H PHE 3 HN PHE 3 6.967 3.223 -1.825 13 HA PHE 3 HA PHE 3 6.296 5.433 -3.586 14 HB2 PHE 3 HB2 PHE 3 8.035 5.460 -1.079 15 HB3 PHE 3 HB1 PHE 3 7.252 6.838 -1.842 16 HD1 PHE 3 HD2 PHE 3 6.726 3.862 0.293 17 HD2 PHE 3 HD1 PHE 3 4.854 7.278 -1.473 18 HE1 PHE 3 HE2 PHE 3 4.780 3.562 1.769 19 HE2 PHE 3 HE1 PHE 3 2.911 6.972 0.006 20 HZ PHE 3 HZ PHE 3 2.871 5.117 1.628 21 H VAL 4 HN VAL 4 7.575 6.023 -5.253 22 HA VAL 4 HA VAL 4 10.164 4.842 -5.700 23 HB VAL 4 HB VAL 4 8.912 7.152 -7.264 24 HG11 VAL 4 HG11 VAL 4 10.363 6.370 -9.118 25 HG12 VAL 4 HG12 VAL 4 11.044 5.127 -8.066 26 HG13 VAL 4 HG13 VAL 4 11.323 6.833 -7.708 27 HG21 VAL 4 HG21 VAL 4 8.042 5.467 -8.836 28 HG22 VAL 4 HG22 VAL 4 7.340 5.261 -7.229 29 HG23 VAL 4 HG23 VAL 4 8.617 4.173 -7.781 30 H VAL 5 HN VAL 5 12.100 5.656 -5.155 31 HA VAL 5 HA VAL 5 12.291 8.445 -4.198 32 HB VAL 5 HB VAL 5 12.987 7.112 -2.386 33 HG11 VAL 5 HG11 VAL 5 14.578 5.249 -2.455 34 HG12 VAL 5 HG12 VAL 5 14.717 5.418 -4.210 35 HG13 VAL 5 HG13 VAL 5 13.180 4.934 -3.489 36 HG21 VAL 5 HG21 VAL 5 15.396 7.578 -2.080 37 HG22 VAL 5 HG22 VAL 5 14.567 8.955 -2.806 38 HG23 VAL 5 HG23 VAL 5 15.562 7.896 -3.809 39 H GLU 6 HN GLU 6 13.083 9.795 -5.551 40 HA GLU 6 HA GLU 6 14.344 9.579 -7.969 41 HB2 GLU 6 HB2 GLU 6 13.432 11.683 -7.090 42 HB3 GLU 6 HB1 GLU 6 14.623 11.712 -5.804 43 HG2 GLU 6 HG2 GLU 6 15.174 13.365 -7.480 44 HG3 GLU 6 HG1 GLU 6 16.409 12.108 -7.452 45 H LYS 7 HN LYS 7 15.972 10.174 -4.827 46 HA LYS 7 HA LYS 7 18.125 8.389 -5.256 47 HB2 LYS 7 HB2 LYS 7 19.993 10.093 -5.374 48 HB3 LYS 7 HB1 LYS 7 19.008 9.979 -6.829 49 HG2 LYS 7 HG2 LYS 7 17.765 12.014 -6.138 50 HG3 LYS 7 HG1 LYS 7 18.799 12.149 -4.712 51 HD2 LYS 7 HD2 LYS 7 19.473 13.657 -6.613 52 HD3 LYS 7 HD1 LYS 7 20.753 12.563 -6.083 53 HE2 LYS 7 HE2 LYS 7 20.598 12.758 -8.563 54 HE3 LYS 7 HE1 LYS 7 20.362 11.108 -7.998 55 HZ1 LYS 7 HZ1 LYS 7 18.788 11.718 -9.725 56 HZ2 LYS 7 HZ2 LYS 7 18.194 12.978 -8.773 57 HZ3 LYS 7 HZ3 LYS 7 17.988 11.378 -8.278 58 H VAL 8 HN VAL 8 19.553 8.268 -3.489 59 HA VAL 8 HA VAL 8 18.660 9.183 -0.931 60 HB VAL 8 HB VAL 8 21.359 7.993 -1.750 61 HG11 VAL 8 HG11 VAL 8 21.502 9.235 0.387 62 HG12 VAL 8 HG12 VAL 8 21.693 7.502 0.636 63 HG13 VAL 8 HG13 VAL 8 20.161 8.283 1.036 64 HG21 VAL 8 HG21 VAL 8 19.484 6.442 -2.220 65 HG22 VAL 8 HG22 VAL 8 18.933 6.593 -0.549 66 HG23 VAL 8 HG23 VAL 8 20.491 5.840 -0.899 67 H LEU 9 HN LEU 9 18.983 11.159 -0.138 68 HA LEU 9 HA LEU 9 20.799 13.052 -1.419 69 HB2 LEU 9 HB2 LEU 9 18.733 13.419 0.789 70 HB3 LEU 9 HB1 LEU 9 19.714 14.719 0.121 71 HG LEU 9 HG LEU 9 17.604 13.107 -1.370 72 HD11 LEU 9 HD11 LEU 9 16.628 14.745 0.145 73 HD12 LEU 9 HD12 LEU 9 16.394 15.246 -1.526 74 HD13 LEU 9 HD13 LEU 9 17.633 16.027 -0.538 75 HD21 LEU 9 HD21 LEU 9 18.016 14.603 -3.294 76 HD22 LEU 9 HD22 LEU 9 19.426 13.618 -2.919 77 HD23 LEU 9 HD23 LEU 9 19.391 15.321 -2.449 78 H ASP 10 HN ASP 10 20.261 11.634 1.819 79 HA ASP 10 HA ASP 10 22.987 12.303 2.643 80 HB2 ASP 10 HB2 ASP 10 21.555 14.345 3.130 81 HB3 ASP 10 HB1 ASP 10 20.587 13.355 4.220 82 H ARG 11 HN ARG 11 23.445 11.403 4.875 83 HA ARG 11 HA ARG 11 21.856 9.005 5.582 84 HB2 ARG 11 HB2 ARG 11 23.667 8.326 4.030 85 HB3 ARG 11 HB1 ARG 11 24.860 9.105 5.057 86 HG2 ARG 11 HG2 ARG 11 24.312 7.439 6.862 87 HG3 ARG 11 HG1 ARG 11 23.223 6.630 5.724 88 HD2 ARG 11 HD2 ARG 11 25.154 6.289 4.173 89 HD3 ARG 11 HD1 ARG 11 26.223 7.023 5.374 90 HE ARG 11 HE ARG 11 24.716 4.503 5.797 91 HH11 ARG 11 HH11 ARG 11 27.654 6.396 6.239 92 HH12 ARG 11 HH12 ARG 11 28.470 5.131 7.103 93 HH21 ARG 11 HH21 ARG 11 25.808 2.860 6.928 94 HH22 ARG 11 HH22 ARG 11 27.427 3.135 7.489 95 H ARG 12 HN ARG 12 21.700 8.739 7.773 96 HA ARG 12 HA ARG 12 23.670 9.968 9.585 97 HB2 ARG 12 HB2 ARG 12 22.070 11.086 10.934 98 HB3 ARG 12 HB1 ARG 12 21.563 11.464 9.294 99 HG2 ARG 12 HG2 ARG 12 19.835 9.633 9.479 100 HG3 ARG 12 HG1 ARG 12 20.293 9.438 11.172 101 HD2 ARG 12 HD2 ARG 12 19.078 11.911 9.881 102 HD3 ARG 12 HD1 ARG 12 18.293 10.819 11.024 103 HE ARG 12 HE ARG 12 20.696 12.100 12.023 104 HH11 ARG 12 HH11 ARG 12 17.205 12.342 11.813 105 HH12 ARG 12 HH12 ARG 12 17.089 13.490 13.106 106 HH21 ARG 12 HH21 ARG 12 20.520 13.626 13.698 107 HH22 ARG 12 HH22 ARG 12 18.958 14.233 14.150 108 H VAL 13 HN VAL 13 23.145 9.200 11.909 109 HA VAL 13 HA VAL 13 22.172 6.406 11.986 110 HB VAL 13 HB VAL 13 24.485 7.613 13.589 111 HG11 VAL 13 HG11 VAL 13 23.362 4.778 13.702 112 HG12 VAL 13 HG12 VAL 13 23.210 5.999 14.967 113 HG13 VAL 13 HG13 VAL 13 24.798 5.350 14.557 114 HG21 VAL 13 HG21 VAL 13 25.928 5.994 12.382 115 HG22 VAL 13 HG22 VAL 13 25.143 7.111 11.262 116 HG23 VAL 13 HG23 VAL 13 24.539 5.461 11.431 117 H VAL 14 HN VAL 14 20.437 6.199 13.281 118 HA VAL 14 HA VAL 14 20.063 7.963 15.632 119 HB VAL 14 HB VAL 14 17.895 7.278 13.579 120 HG11 VAL 14 HG11 VAL 14 16.318 8.557 15.032 121 HG12 VAL 14 HG12 VAL 14 17.571 8.667 16.273 122 HG13 VAL 14 HG13 VAL 14 16.913 7.094 15.818 123 HG21 VAL 14 HG21 VAL 14 17.660 9.734 13.323 124 HG22 VAL 14 HG22 VAL 14 19.286 9.190 12.905 125 HG23 VAL 14 HG23 VAL 14 18.994 9.976 14.458 126 H ASN 15 HN ASN 15 19.928 6.755 17.369 127 HA ASN 15 HA ASN 15 19.424 5.197 18.904 128 HB2 ASN 15 HB2 ASN 15 17.342 4.232 16.893 129 HB3 ASN 15 HB1 ASN 15 17.418 3.728 18.578 130 HD21 ASN 15 HD21 ASN 15 15.242 5.070 17.173 131 HD22 ASN 15 HD22 ASN 15 14.955 6.551 18.013 132 H GLY 16 HN GLY 16 21.374 4.725 16.682 133 HA2 GLY 16 HA2 GLY 16 23.054 3.054 16.613 134 HA3 GLY 16 HA1 GLY 16 21.882 1.853 17.133 135 H LYS 17 HN LYS 17 19.997 3.161 15.010 136 HA LYS 17 HA LYS 17 20.687 1.288 12.889 137 HB2 LYS 17 HB2 LYS 17 18.476 1.351 12.288 138 HB3 LYS 17 HB1 LYS 17 18.253 2.055 13.881 139 HG2 LYS 17 HG2 LYS 17 18.303 4.329 12.854 140 HG3 LYS 17 HG1 LYS 17 18.482 3.586 11.263 141 HD2 LYS 17 HD2 LYS 17 16.164 4.148 11.514 142 HD3 LYS 17 HD1 LYS 17 16.287 2.391 11.660 143 HE2 LYS 17 HE2 LYS 17 14.775 3.245 13.349 144 HE3 LYS 17 HE1 LYS 17 16.235 2.635 14.130 145 HZ1 LYS 17 HZ1 LYS 17 15.699 5.496 13.521 146 HZ2 LYS 17 HZ2 LYS 17 17.032 4.879 14.361 147 HZ3 LYS 17 HZ3 LYS 17 15.484 4.771 15.033 148 H VAL 18 HN VAL 18 20.463 2.072 10.582 149 HA VAL 18 HA VAL 18 21.939 4.616 10.180 150 HB VAL 18 HB VAL 18 22.068 2.126 8.402 151 HG11 VAL 18 HG11 VAL 18 22.441 4.232 7.180 152 HG12 VAL 18 HG12 VAL 18 23.940 3.310 7.290 153 HG13 VAL 18 HG13 VAL 18 23.684 4.703 8.342 154 HG21 VAL 18 HG21 VAL 18 23.171 1.650 10.560 155 HG22 VAL 18 HG22 VAL 18 24.133 3.121 10.413 156 HG23 VAL 18 HG23 VAL 18 24.375 1.794 9.274 157 H GLU 19 HN GLU 19 20.544 6.097 9.393 158 HA GLU 19 HA GLU 19 18.279 5.291 7.667 159 HB2 GLU 19 HB2 GLU 19 18.706 7.851 9.273 160 HB3 GLU 19 HB1 GLU 19 17.274 7.473 8.313 161 HG2 GLU 19 HG2 GLU 19 16.783 5.573 9.791 162 HG3 GLU 19 HG1 GLU 19 18.223 5.925 10.742 163 H TYR 20 HN TYR 20 17.747 6.636 5.871 164 HA TYR 20 HA TYR 20 19.882 8.314 4.716 165 HB2 TYR 20 HB2 TYR 20 18.363 6.108 3.229 166 HB3 TYR 20 HB1 TYR 20 19.424 7.282 2.470 167 HD1 TYR 20 HD1 TYR 20 19.431 4.496 4.979 168 HD2 TYR 20 HD2 TYR 20 21.756 6.822 2.264 169 HE1 TYR 20 HE1 TYR 20 21.353 3.030 5.347 170 HE2 TYR 20 HE2 TYR 20 23.664 5.336 2.615 171 HH TYR 20 HH TYR 20 23.382 2.354 4.213 172 H PHE 21 HN PHE 21 19.012 10.252 4.152 173 HA PHE 21 HA PHE 21 16.172 10.709 4.181 174 HB2 PHE 21 HB2 PHE 21 17.853 12.419 4.970 175 HB3 PHE 21 HB1 PHE 21 18.398 12.619 3.308 176 HD1 PHE 21 HD2 PHE 21 15.077 12.511 5.081 177 HD2 PHE 21 HD1 PHE 21 17.603 14.589 2.329 178 HE1 PHE 21 HE2 PHE 21 13.324 14.193 4.739 179 HE2 PHE 21 HE1 PHE 21 15.844 16.269 1.995 180 HZ PHE 21 HZ PHE 21 13.703 16.074 3.195 181 H LEU 22 HN LEU 22 15.009 10.021 2.554 182 HA LEU 22 HA LEU 22 16.146 9.655 -0.115 183 HB2 LEU 22 HB2 LEU 22 13.463 8.831 1.060 184 HB3 LEU 22 HB1 LEU 22 14.047 8.407 -0.542 185 HG LEU 22 HG LEU 22 15.080 7.420 2.136 186 HD11 LEU 22 HD11 LEU 22 13.937 5.956 -0.259 187 HD12 LEU 22 HD12 LEU 22 13.090 6.323 1.246 188 HD13 LEU 22 HD13 LEU 22 14.461 5.242 1.260 189 HD21 LEU 22 HD21 LEU 22 16.797 6.113 0.913 190 HD22 LEU 22 HD22 LEU 22 17.073 7.847 0.780 191 HD23 LEU 22 HD23 LEU 22 16.380 6.959 -0.581 192 H LYS 23 HN LYS 23 15.851 11.248 -1.612 193 HA LYS 23 HA LYS 23 13.616 13.060 -1.523 194 HB2 LYS 23 HB2 LYS 23 15.981 13.443 -2.696 195 HB3 LYS 23 HB1 LYS 23 15.256 12.586 -4.045 196 HG2 LYS 23 HG2 LYS 23 14.223 15.161 -2.791 197 HG3 LYS 23 HG1 LYS 23 15.101 15.041 -4.317 198 HD2 LYS 23 HD2 LYS 23 13.247 13.787 -5.314 199 HD3 LYS 23 HD1 LYS 23 12.387 13.767 -3.777 200 HE2 LYS 23 HE2 LYS 23 11.471 15.464 -5.349 201 HE3 LYS 23 HE1 LYS 23 12.068 16.180 -3.852 202 HZ1 LYS 23 HZ1 LYS 23 14.033 16.902 -4.964 203 HZ2 LYS 23 HZ2 LYS 23 12.698 17.416 -5.865 204 HZ3 LYS 23 HZ3 LYS 23 13.606 16.091 -6.388 205 H TRP 24 HN TRP 24 11.739 11.823 -1.560 206 HA TRP 24 HA TRP 24 11.240 9.646 -3.314 207 HB2 TRP 24 HB2 TRP 24 9.220 11.533 -2.024 208 HB3 TRP 24 HB1 TRP 24 8.863 9.954 -2.717 209 HD1 TRP 24 HD1 TRP 24 9.702 11.565 0.479 210 HE1 TRP 24 HE1 TRP 24 10.106 9.812 2.294 211 HE3 TRP 24 HE3 TRP 24 10.201 7.449 -2.476 212 HZ2 TRP 24 HZ2 TRP 24 10.552 7.065 2.475 213 HZ3 TRP 24 HZ3 TRP 24 10.626 5.280 -1.400 214 HH2 TRP 24 HH2 TRP 24 10.805 5.094 1.027 215 H LYS 25 HN LYS 25 10.887 9.718 -5.471 216 HA LYS 25 HA LYS 25 11.072 12.138 -6.921 217 HB2 LYS 25 HB2 LYS 25 11.867 9.831 -7.670 218 HB3 LYS 25 HB1 LYS 25 10.194 9.446 -8.024 219 HG2 LYS 25 HG2 LYS 25 10.056 11.004 -9.788 220 HG3 LYS 25 HG1 LYS 25 11.481 11.888 -9.245 221 HD2 LYS 25 HD2 LYS 25 12.004 10.628 -11.267 222 HD3 LYS 25 HD1 LYS 25 12.924 9.991 -9.901 223 HE2 LYS 25 HE2 LYS 25 11.237 8.161 -9.683 224 HE3 LYS 25 HE1 LYS 25 10.423 8.774 -11.126 225 HZ1 LYS 25 HZ1 LYS 25 13.235 7.842 -11.011 226 HZ2 LYS 25 HZ2 LYS 25 12.402 8.343 -12.392 227 HZ3 LYS 25 HZ3 LYS 25 11.928 6.937 -11.589 228 H GLY 26 HN GLY 26 8.348 10.274 -5.798 229 HA2 GLY 26 HA2 GLY 26 6.397 11.564 -7.534 230 HA3 GLY 26 HA1 GLY 26 6.080 10.400 -6.263 231 H PHE 27 HN PHE 27 7.978 12.558 -4.722 232 HA PHE 27 HA PHE 27 5.745 14.306 -3.848 233 HB2 PHE 27 HB2 PHE 27 7.678 12.788 -2.026 234 HB3 PHE 27 HB1 PHE 27 6.459 13.940 -1.482 235 HD1 PHE 27 HD2 PHE 27 4.024 13.363 -1.644 236 HD2 PHE 27 HD1 PHE 27 7.044 10.496 -2.611 237 HE1 PHE 27 HE2 PHE 27 2.368 11.550 -1.491 238 HE2 PHE 27 HE1 PHE 27 5.381 8.696 -2.461 239 HZ PHE 27 HZ PHE 27 3.041 9.220 -1.901 240 H THR 28 HN THR 28 6.479 16.179 -2.593 241 HA THR 28 HA THR 28 8.631 17.563 -3.886 242 HB THR 28 HB THR 28 8.012 19.460 -2.386 243 HG1 THR 28 HG1 THR 28 6.050 17.727 -1.262 244 HG21 THR 28 HG21 THR 28 5.686 19.796 -3.135 245 HG22 THR 28 HG22 THR 28 5.564 18.088 -3.559 246 HG23 THR 28 HG23 THR 28 6.668 19.141 -4.448 247 H ASP 29 HN ASP 29 10.394 18.671 -2.700 248 HA ASP 29 HA ASP 29 12.036 16.952 -1.221 249 HB2 ASP 29 HB2 ASP 29 12.143 19.985 -1.446 250 HB3 ASP 29 HB1 ASP 29 13.406 19.013 -0.700 251 H ALA 30 HN ALA 30 9.721 19.377 -0.198 252 HA ALA 30 HA ALA 30 10.394 19.402 2.595 253 HB1 ALA 30 HB1 ALA 30 9.390 21.340 1.457 254 HB2 ALA 30 HB2 ALA 30 8.389 20.819 2.814 255 HB3 ALA 30 HB3 ALA 30 7.914 20.420 1.159 256 H ASP 31 HN ASP 31 8.468 17.270 0.644 257 HA ASP 31 HA ASP 31 6.970 16.252 2.977 258 HB2 ASP 31 HB2 ASP 31 5.797 16.777 0.764 259 HB3 ASP 31 HB1 ASP 31 6.636 15.391 0.073 260 H ASN 32 HN ASN 32 9.856 15.641 1.366 261 HA ASN 32 HA ASN 32 9.994 12.814 1.334 262 HB2 ASN 32 HB2 ASN 32 12.213 14.878 1.492 263 HB3 ASN 32 HB1 ASN 32 12.482 13.168 1.189 264 HD21 ASN 32 HD21 ASN 32 9.965 13.078 -0.545 265 HD22 ASN 32 HD22 ASN 32 10.467 13.809 -2.024 266 H THR 33 HN THR 33 11.474 11.437 2.677 267 HA THR 33 HA THR 33 11.596 12.218 5.519 268 HB THR 33 HB THR 33 10.531 9.918 6.109 269 HG1 THR 33 HG1 THR 33 9.712 8.772 4.548 270 HG21 THR 33 HG21 THR 33 8.226 10.775 6.052 271 HG22 THR 33 HG22 THR 33 8.713 12.033 4.915 272 HG23 THR 33 HG23 THR 33 9.350 12.039 6.562 273 H TRP 34 HN TRP 34 12.834 10.830 6.843 274 HA TRP 34 HA TRP 34 15.131 9.541 5.659 275 HB2 TRP 34 HB2 TRP 34 14.230 9.940 8.548 276 HB3 TRP 34 HB1 TRP 34 15.696 9.065 8.123 277 HD1 TRP 34 HD1 TRP 34 14.277 12.619 8.307 278 HE1 TRP 34 HE1 TRP 34 16.235 14.271 8.103 279 HE3 TRP 34 HE3 TRP 34 17.986 9.334 7.085 280 HZ2 TRP 34 HZ2 TRP 34 18.987 14.198 7.480 281 HZ3 TRP 34 HZ3 TRP 34 20.254 10.195 6.686 282 HH2 TRP 34 HH2 TRP 34 20.743 12.579 6.880 283 H GLU 35 HN GLU 35 15.141 7.427 5.085 284 HA GLU 35 HA GLU 35 13.511 5.500 6.627 285 HB2 GLU 35 HB2 GLU 35 14.221 5.287 3.678 286 HB3 GLU 35 HB1 GLU 35 13.307 4.101 4.603 287 HG2 GLU 35 HG2 GLU 35 12.453 6.885 3.780 288 HG3 GLU 35 HG1 GLU 35 11.771 5.347 3.267 289 HA PRO 36 HA PRO 36 17.532 3.651 7.540 290 HB2 PRO 36 HB2 PRO 36 16.645 1.253 8.549 291 HB3 PRO 36 HB1 PRO 36 16.559 2.771 9.451 292 HG2 PRO 36 HG2 PRO 36 14.404 1.403 7.846 293 HG3 PRO 36 HG1 PRO 36 14.306 2.107 9.473 294 HD2 PRO 36 HD2 PRO 36 13.414 3.448 7.301 295 HD3 PRO 36 HD1 PRO 36 14.186 4.302 8.655 296 H GLU 37 HN GLU 37 18.878 1.924 6.793 297 HA GLU 37 HA GLU 37 18.676 1.382 4.063 298 HB2 GLU 37 HB2 GLU 37 20.621 -0.291 4.528 299 HB3 GLU 37 HB1 GLU 37 20.869 1.411 4.839 300 HG2 GLU 37 HG2 GLU 37 21.879 0.263 6.642 301 HG3 GLU 37 HG1 GLU 37 20.390 0.962 7.277 302 H GLU 38 HN GLU 38 17.590 -0.548 6.737 303 HA GLU 38 HA GLU 38 17.200 -3.041 5.446 304 HB2 GLU 38 HB2 GLU 38 15.809 -3.561 7.439 305 HB3 GLU 38 HB1 GLU 38 17.331 -2.791 7.883 306 HG2 GLU 38 HG2 GLU 38 16.002 -0.583 7.949 307 HG3 GLU 38 HG1 GLU 38 14.554 -1.585 7.894 308 H ASN 39 HN ASN 39 15.341 -0.111 5.510 309 HA ASN 39 HA ASN 39 12.825 -1.296 4.616 310 HB2 ASN 39 HB2 ASN 39 12.898 0.508 6.355 311 HB3 ASN 39 HB1 ASN 39 13.625 1.601 5.182 312 HD21 ASN 39 HD21 ASN 39 11.970 3.081 5.280 313 HD22 ASN 39 HD22 ASN 39 10.395 2.781 4.652 314 H LEU 40 HN LEU 40 15.668 -0.064 3.194 315 HA LEU 40 HA LEU 40 14.482 1.316 0.947 316 HB2 LEU 40 HB2 LEU 40 17.390 0.491 1.322 317 HB3 LEU 40 HB1 LEU 40 16.770 1.692 0.192 318 HG LEU 40 HG LEU 40 16.916 1.902 3.217 319 HD11 LEU 40 HD11 LEU 40 18.993 2.423 2.073 320 HD12 LEU 40 HD12 LEU 40 18.295 3.863 2.804 321 HD13 LEU 40 HD13 LEU 40 18.169 3.611 1.059 322 HD21 LEU 40 HD21 LEU 40 15.508 3.780 1.317 323 HD22 LEU 40 HD22 LEU 40 15.877 4.137 3.009 324 HD23 LEU 40 HD23 LEU 40 14.777 2.822 2.606 325 H ASP 41 HN ASP 41 13.944 0.488 -0.959 326 HA ASP 41 HA ASP 41 14.741 -2.274 -1.699 327 HB2 ASP 41 HB2 ASP 41 12.427 -0.534 -2.673 328 HB3 ASP 41 HB1 ASP 41 12.784 -2.152 -3.273 329 H CYS 42 HN CYS 42 16.042 0.570 -2.025 330 HA CYS 42 HA CYS 42 16.659 0.431 -4.925 331 HB2 CYS 42 HB2 CYS 42 17.297 2.849 -4.643 332 HB3 CYS 42 HB1 CYS 42 15.596 2.536 -4.317 333 HG CYS 42 HG CYS 42 18.007 2.995 -1.927 334 HA PRO 43 HA PRO 43 20.530 -0.868 -2.737 335 HB2 PRO 43 HB2 PRO 43 21.265 -2.886 -4.379 336 HB3 PRO 43 HB1 PRO 43 19.946 -3.073 -3.217 337 HG2 PRO 43 HG2 PRO 43 19.801 -2.569 -6.178 338 HG3 PRO 43 HG1 PRO 43 18.809 -3.646 -5.176 339 HD2 PRO 43 HD2 PRO 43 18.049 -1.087 -5.994 340 HD3 PRO 43 HD1 PRO 43 17.359 -1.948 -4.599 341 H GLU 44 HN GLU 44 20.093 -0.058 -6.145 342 HA GLU 44 HA GLU 44 22.873 0.408 -6.707 343 HB2 GLU 44 HB2 GLU 44 21.780 1.635 -8.815 344 HB3 GLU 44 HB1 GLU 44 21.830 -0.114 -8.701 345 HG2 GLU 44 HG2 GLU 44 19.670 0.728 -9.558 346 HG3 GLU 44 HG1 GLU 44 19.492 -0.213 -8.078 347 H LEU 45 HN LEU 45 20.200 2.397 -5.533 348 HA LEU 45 HA LEU 45 21.489 4.926 -5.834 349 HB2 LEU 45 HB2 LEU 45 19.218 3.988 -4.055 350 HB3 LEU 45 HB1 LEU 45 19.856 5.620 -3.916 351 HG LEU 45 HG LEU 45 18.543 4.417 -6.389 352 HD11 LEU 45 HD11 LEU 45 16.937 4.978 -4.640 353 HD12 LEU 45 HD12 LEU 45 16.787 6.090 -5.997 354 HD13 LEU 45 HD13 LEU 45 17.598 6.611 -4.516 355 HD21 LEU 45 HD21 LEU 45 19.725 7.199 -6.015 356 HD22 LEU 45 HD22 LEU 45 18.772 6.662 -7.401 357 HD23 LEU 45 HD23 LEU 45 20.341 5.930 -7.081 358 H ILE 46 HN ILE 46 21.702 2.426 -3.361 359 HA ILE 46 HA ILE 46 23.135 3.984 -1.432 360 HB ILE 46 HB ILE 46 23.067 0.951 -1.784 361 HG12 ILE 46 HG12 ILE 46 20.806 1.902 -1.463 362 HG13 ILE 46 HG11 ILE 46 21.291 1.001 -0.038 363 HG21 ILE 46 HG21 ILE 46 23.753 0.844 0.608 364 HG22 ILE 46 HG22 ILE 46 23.942 2.598 0.627 365 HG23 ILE 46 HG23 ILE 46 24.982 1.611 -0.401 366 HD11 ILE 46 HD11 ILE 46 21.774 3.068 1.143 367 HD12 ILE 46 HD12 ILE 46 20.138 3.086 0.495 368 HD13 ILE 46 HD13 ILE 46 21.401 4.007 -0.305 369 H GLU 47 HN GLU 47 24.163 1.584 -3.888 370 HA GLU 47 HA GLU 47 26.929 1.775 -3.630 371 HB2 GLU 47 HB2 GLU 47 25.963 0.099 -5.110 372 HB3 GLU 47 HB1 GLU 47 25.251 1.341 -6.139 373 HG2 GLU 47 HG2 GLU 47 27.572 2.081 -6.759 374 HG3 GLU 47 HG1 GLU 47 28.213 0.739 -5.812 375 H ALA 48 HN ALA 48 24.755 3.692 -5.683 376 HA ALA 48 HA ALA 48 26.611 5.368 -6.931 377 HB1 ALA 48 HB1 ALA 48 24.258 5.159 -7.665 378 HB2 ALA 48 HB2 ALA 48 24.697 6.851 -7.411 379 HB3 ALA 48 HB3 ALA 48 23.722 5.997 -6.211 380 H PHE 49 HN PHE 49 24.686 5.888 -3.989 381 HA PHE 49 HA PHE 49 25.465 8.477 -3.305 382 HB2 PHE 49 HB2 PHE 49 23.554 7.381 -2.263 383 HB3 PHE 49 HB1 PHE 49 24.582 6.137 -1.564 384 HD1 PHE 49 HD1 PHE 49 24.113 9.865 -1.522 385 HD2 PHE 49 HD2 PHE 49 25.244 6.374 0.676 386 HE1 PHE 49 HE1 PHE 49 24.322 11.211 0.518 387 HE2 PHE 49 HE2 PHE 49 25.450 7.729 2.707 388 HZ PHE 49 HZ PHE 49 24.995 10.144 2.630 389 H LEU 50 HN LEU 50 26.872 5.375 -2.208 390 HA LEU 50 HA LEU 50 28.802 6.461 -0.437 391 HB2 LEU 50 HB2 LEU 50 28.701 3.760 -1.829 392 HB3 LEU 50 HB1 LEU 50 29.834 4.162 -0.543 393 HG LEU 50 HG LEU 50 26.801 4.112 -0.238 394 HD11 LEU 50 HD11 LEU 50 28.855 2.101 0.728 395 HD12 LEU 50 HD12 LEU 50 27.679 1.860 -0.568 396 HD13 LEU 50 HD13 LEU 50 27.126 2.079 1.089 397 HD21 LEU 50 HD21 LEU 50 27.827 5.737 1.284 398 HD22 LEU 50 HD22 LEU 50 28.959 4.515 1.868 399 HD23 LEU 50 HD23 LEU 50 27.231 4.341 2.183 400 H ASN 51 HN ASN 51 29.060 5.280 -3.785 401 HA ASN 51 HA ASN 51 31.824 5.791 -4.169 402 HB2 ASN 51 HB2 ASN 51 29.579 5.517 -6.211 403 HB3 ASN 51 HB1 ASN 51 31.287 5.582 -6.634 404 HD21 ASN 51 HD21 ASN 51 31.213 3.546 -7.610 405 HD22 ASN 51 HD22 ASN 51 31.078 2.081 -6.701 406 H SER 52 HN SER 52 29.051 7.890 -4.239 407 HA SER 52 HA SER 52 30.338 9.986 -5.804 408 HB2 SER 52 HB2 SER 52 27.623 9.848 -4.443 409 HB3 SER 52 HB1 SER 52 28.183 11.222 -5.408 410 HG SER 52 HG SER 52 28.210 8.596 -6.439 411 H GLN 53 HN GLN 53 29.764 9.254 -2.393 412 HA GLN 53 HA GLN 53 30.139 11.844 -1.294 413 HB2 GLN 53 HB2 GLN 53 30.685 9.096 -0.104 414 HB3 GLN 53 HB1 GLN 53 30.841 10.591 0.818 415 HG2 GLN 53 HG2 GLN 53 28.438 11.073 0.395 416 HG3 GLN 53 HG1 GLN 53 28.294 9.526 -0.439 417 HE21 GLN 53 HE21 GLN 53 28.464 7.605 0.787 418 HE22 GLN 53 HE22 GLN 53 28.229 7.596 2.495 419 H LYS 54 HN LYS 54 32.409 9.402 -2.376 420 HA LYS 54 HA LYS 54 34.617 11.290 -2.316 421 HB2 LYS 54 HB2 LYS 54 36.089 9.587 -1.075 422 HB3 LYS 54 HB1 LYS 54 34.910 10.454 -0.099 423 HG2 LYS 54 HG2 LYS 54 33.405 8.464 -0.204 424 HG3 LYS 54 HG1 LYS 54 34.652 7.594 -1.100 425 HD2 LYS 54 HD2 LYS 54 34.927 8.669 1.742 426 HD3 LYS 54 HD1 LYS 54 34.613 6.990 1.311 427 HE2 LYS 54 HE2 LYS 54 36.921 7.044 1.787 428 HE3 LYS 54 HE1 LYS 54 36.857 7.085 0.031 429 HZ1 LYS 54 HZ1 LYS 54 37.281 9.435 0.077 430 HZ2 LYS 54 HZ2 LYS 54 38.466 8.643 0.981 431 HZ3 LYS 54 HZ3 LYS 54 37.216 9.467 1.766 432 H1 ALA 1 HT1 ALA 1 16.212 -1.644 -15.994 433 H2 ALA 1 HT2 ALA 1 17.844 -2.066 -16.147 434 H3 ALA 1 HT3 ALA 1 17.239 -1.538 -14.660 435 HA ALA 1 HA ALA 1 16.463 -4.023 -16.059 436 HB1 ALA 1 HB1 ALA 1 17.669 -5.190 -14.249 437 HB2 ALA 1 HB2 ALA 1 18.141 -3.636 -13.552 438 HB3 ALA 1 HB3 ALA 1 18.754 -4.116 -15.135 439 H ARG 2 HN ARG 2 15.575 -5.505 -14.146 440 HA ARG 2 HA ARG 2 13.094 -4.577 -13.237 441 HB2 ARG 2 HB2 ARG 2 12.976 -6.648 -11.872 442 HB3 ARG 2 HB1 ARG 2 13.495 -6.976 -13.514 443 HG2 ARG 2 HG2 ARG 2 15.514 -6.714 -11.266 444 HG3 ARG 2 HG1 ARG 2 14.655 -8.227 -11.546 445 HD2 ARG 2 HD2 ARG 2 15.589 -8.385 -13.799 446 HD3 ARG 2 HD1 ARG 2 16.366 -6.809 -13.620 447 HE ARG 2 HE ARG 2 17.392 -8.231 -11.548 448 HH11 ARG 2 HH11 ARG 2 17.241 -8.946 -14.990 449 HH12 ARG 2 HH12 ARG 2 18.732 -9.828 -14.979 450 HH21 ARG 2 HH21 ARG 2 19.324 -9.404 -11.571 451 HH22 ARG 2 HH22 ARG 2 19.893 -10.098 -13.053 452 H THR 3 HN THR 3 16.244 -4.264 -11.786 453 HA THR 3 HA THR 3 15.525 -3.633 -9.122 454 HB THR 3 HB THR 3 17.817 -2.294 -9.256 455 HG1 THR 3 HG1 THR 3 19.078 -2.869 -11.051 456 HG21 THR 3 HG21 THR 3 17.746 -5.305 -9.703 457 HG22 THR 3 HG22 THR 3 17.594 -4.488 -8.144 458 HG23 THR 3 HG23 THR 3 19.107 -4.392 -9.048 459 H LYS 4 HN LYS 4 14.019 -2.123 -8.732 460 HA LYS 4 HA LYS 4 13.942 0.416 -10.216 461 HB2 LYS 4 HB2 LYS 4 11.982 -0.835 -8.244 462 HB3 LYS 4 HB1 LYS 4 11.754 0.740 -9.008 463 HG2 LYS 4 HG2 LYS 4 11.762 -0.373 -11.236 464 HG3 LYS 4 HG1 LYS 4 11.898 -1.941 -10.429 465 HD2 LYS 4 HD2 LYS 4 9.719 -1.597 -9.344 466 HD3 LYS 4 HD1 LYS 4 9.594 0.020 -10.049 467 HE2 LYS 4 HE2 LYS 4 9.670 -2.592 -11.610 468 HE3 LYS 4 HE1 LYS 4 8.232 -1.622 -11.297 469 HZ1 LYS 4 HZ1 LYS 4 10.599 -0.714 -12.845 470 HZ2 LYS 4 HZ2 LYS 4 9.188 0.174 -12.580 471 HZ3 LYS 4 HZ3 LYS 4 9.138 -1.235 -13.507 472 H GLN 5 HN GLN 5 14.177 2.382 -9.252 473 HA GLN 5 HA GLN 5 15.642 2.585 -6.761 474 HB2 GLN 5 HB2 GLN 5 14.572 4.929 -8.368 475 HB3 GLN 5 HB1 GLN 5 16.005 4.867 -7.349 476 HG2 GLN 5 HG2 GLN 5 17.091 3.400 -9.050 477 HG3 GLN 5 HG1 GLN 5 15.655 3.563 -10.066 478 HE21 GLN 5 HE21 GLN 5 18.491 5.147 -8.829 479 HE22 GLN 5 HE22 GLN 5 18.413 6.550 -9.844 480 H THR 6 HN THR 6 13.938 1.712 -5.408 481 HA THR 6 HA THR 6 11.680 3.523 -4.798 482 HB THR 6 HB THR 6 10.236 1.395 -4.544 483 HG1 THR 6 HG1 THR 6 12.560 0.314 -5.725 484 HG21 THR 6 HG21 THR 6 11.148 2.067 -7.370 485 HG22 THR 6 HG22 THR 6 9.901 2.927 -6.462 486 HG23 THR 6 HG23 THR 6 9.648 1.245 -6.935 487 H ALA 7 HN ALA 7 10.593 2.870 -2.752 488 HA ALA 7 HA ALA 7 11.765 1.045 -0.916 489 HB1 ALA 7 HB1 ALA 7 12.179 3.997 -0.273 490 HB2 ALA 7 HB2 ALA 7 13.451 2.841 -0.665 491 HB3 ALA 7 HB3 ALA 7 12.511 2.642 0.813 492 H ARG 8 HN ARG 8 10.632 1.130 1.178 493 HA ARG 8 HA ARG 8 7.834 2.019 0.937 494 HB2 ARG 8 HB2 ARG 8 8.612 -0.383 1.596 495 HB3 ARG 8 HB1 ARG 8 9.061 0.321 3.141 496 HG2 ARG 8 HG2 ARG 8 6.662 1.043 3.425 497 HG3 ARG 8 HG1 ARG 8 6.286 0.170 1.936 498 HD2 ARG 8 HD2 ARG 8 7.182 -0.953 4.599 499 HD3 ARG 8 HD1 ARG 8 5.713 -1.328 3.694 500 HE ARG 8 HE ARG 8 8.320 -2.516 3.405 501 HH11 ARG 8 HH11 ARG 8 5.378 -1.876 1.585 502 HH12 ARG 8 HH12 ARG 8 5.617 -3.222 0.517 503 HH21 ARG 8 HH21 ARG 8 8.622 -4.251 2.023 504 HH22 ARG 8 HH22 ARG 8 7.469 -4.573 0.771 505 H M3L 9 HN M3L 9 6.978 2.776 3.295 506 HA M3L 9 HA M3L 9 8.963 4.604 4.517 507 HB2 M3L 9 HB2 M3L 9 5.969 4.940 4.174 508 HB3 M3L 9 HB1 M3L 9 6.906 5.911 5.312 509 HG2 M3L 9 HG2 M3L 9 8.335 6.668 3.383 510 HG3 M3L 9 HG1 M3L 9 7.222 5.828 2.292 511 HD2 M3L 9 HD2 M3L 9 5.376 7.261 2.987 512 HD3 M3L 9 HD1 M3L 9 6.370 8.006 4.244 513 HE2 M3L 9 HE2 M3L 9 7.872 8.916 2.454 514 HE3 M3L 9 HE1 M3L 9 6.777 8.250 1.237 515 HM11 M3L 9 HH33 M3L 9 4.484 9.199 0.932 516 HM12 M3L 9 HH31 M3L 9 3.931 10.549 1.927 517 HM13 M3L 9 HH32 M3L 9 4.092 8.942 2.632 518 HM21 M3L 9 HH11 M3L 9 6.529 10.585 0.316 519 HM22 M3L 9 HH12 M3L 9 7.565 11.227 1.591 520 HM23 M3L 9 HH13 M3L 9 5.949 11.891 1.352 521 HM31 M3L 9 HH21 M3L 9 7.043 10.743 4.015 522 HM32 M3L 9 HH22 M3L 9 5.583 9.845 4.434 523 HM33 M3L 9 HH23 M3L 9 5.456 11.470 3.760 524 H SER 10 HN SER 10 9.737 3.428 6.189 525 HA SER 10 HA SER 10 8.099 2.349 8.300 526 HB2 SER 10 HB2 SER 10 11.008 3.317 8.347 527 HB3 SER 10 HB1 SER 10 10.218 2.379 9.614 528 HG SER 10 HG SER 10 11.478 1.110 8.151 529 H THR 11 HN THR 11 9.532 5.459 7.446 530 HA THR 11 HA THR 11 8.136 6.838 9.626 531 HB THR 11 HB THR 11 9.952 8.061 7.494 532 HG1 THR 11 HG1 THR 11 11.451 7.012 8.561 533 HG21 THR 11 HG21 THR 11 9.013 9.109 10.191 534 HG22 THR 11 HG22 THR 11 8.481 9.694 8.611 535 HG23 THR 11 HG23 THR 11 10.155 9.924 9.122 536 H GLY 12 HN GLY 12 6.119 6.044 8.672 537 HA2 GLY 12 HA2 GLY 12 5.076 7.041 6.196 538 HA3 GLY 12 HA1 GLY 12 4.152 6.330 7.514 539 H GLY 13 HN GLY 13 5.579 8.454 9.277 540 HA2 GLY 13 HA2 GLY 13 5.474 10.975 9.071 541 HA3 GLY 13 HA1 GLY 13 3.772 10.737 8.685 542 H LYS 14 HN LYS 14 3.260 8.621 10.481 543 HA LYS 14 HA LYS 14 3.834 9.304 13.187 544 HB2 LYS 14 HB2 LYS 14 2.403 11.255 12.636 545 HB3 LYS 14 HB1 LYS 14 1.115 10.183 12.100 546 HG2 LYS 14 HG2 LYS 14 0.820 9.349 14.393 547 HG3 LYS 14 HG1 LYS 14 2.177 10.331 14.946 548 HD2 LYS 14 HD2 LYS 14 -0.479 11.361 13.861 549 HD3 LYS 14 HD1 LYS 14 0.058 11.415 15.544 550 HE2 LYS 14 HE2 LYS 14 1.273 12.925 13.199 551 HE3 LYS 14 HE1 LYS 14 0.346 13.611 14.531 552 HZ1 LYS 14 HZ1 LYS 14 2.688 13.956 14.853 553 HZ2 LYS 14 HZ2 LYS 14 3.004 12.301 14.747 554 HZ3 LYS 14 HZ3 LYS 14 2.111 12.910 16.048 555 H ALA 15 HN ALA 15 1.302 8.036 11.035 556 HA ALA 15 HA ALA 15 0.559 5.900 12.853 557 HB1 ALA 15 HB1 ALA 15 -0.398 6.507 10.029 558 HB2 ALA 15 HB2 ALA 15 -1.174 7.031 11.525 559 HB3 ALA 15 HB3 ALA 15 -1.105 5.314 11.124 Start of MODEL 12 1 H1 GLY 1 HT1 GLY 1 2.164 0.304 -1.316 2 H2 GLY 1 HT2 GLY 1 0.743 0.747 -2.112 3 H3 GLY 1 HT3 GLY 1 1.806 1.936 -1.548 4 HA2 GLY 1 HA1 GLY 1 2.366 -0.033 -3.692 5 HA3 GLY 1 HA2 GLY 1 1.997 1.670 -3.939 6 H GLU 2 HN GLU 2 4.335 0.522 -4.918 7 HA GLU 2 HA GLU 2 6.622 0.898 -3.251 8 HB2 GLU 2 HB2 GLU 2 6.364 0.841 -6.291 9 HB3 GLU 2 HB1 GLU 2 7.882 0.735 -5.395 10 HG2 GLU 2 HG2 GLU 2 7.117 -1.399 -4.379 11 HG3 GLU 2 HG1 GLU 2 5.611 -1.281 -5.286 12 H PHE 3 HN PHE 3 7.058 2.855 -2.428 13 HA PHE 3 HA PHE 3 6.396 5.343 -3.746 14 HB2 PHE 3 HB2 PHE 3 8.125 4.906 -1.263 15 HB3 PHE 3 HB1 PHE 3 7.397 6.424 -1.780 16 HD1 PHE 3 HD2 PHE 3 4.841 6.614 -1.767 17 HD2 PHE 3 HD1 PHE 3 6.926 3.403 0.137 18 HE1 PHE 3 HE2 PHE 3 2.853 6.116 -0.409 19 HE2 PHE 3 HE1 PHE 3 4.937 2.912 1.491 20 HZ PHE 3 HZ PHE 3 2.899 4.267 1.218 21 H VAL 4 HN VAL 4 7.596 6.127 -5.349 22 HA VAL 4 HA VAL 4 10.235 5.105 -5.905 23 HB VAL 4 HB VAL 4 8.729 5.444 -7.782 24 HG11 VAL 4 HG11 VAL 4 7.372 7.331 -6.982 25 HG12 VAL 4 HG12 VAL 4 8.010 7.664 -8.593 26 HG13 VAL 4 HG13 VAL 4 8.742 8.428 -7.179 27 HG21 VAL 4 HG21 VAL 4 11.102 7.344 -7.914 28 HG22 VAL 4 HG22 VAL 4 10.254 6.671 -9.308 29 HG23 VAL 4 HG23 VAL 4 11.139 5.605 -8.214 30 H VAL 5 HN VAL 5 11.919 5.842 -4.892 31 HA VAL 5 HA VAL 5 12.227 8.671 -4.163 32 HB VAL 5 HB VAL 5 12.800 7.385 -2.281 33 HG11 VAL 5 HG11 VAL 5 12.817 5.157 -3.273 34 HG12 VAL 5 HG12 VAL 5 14.242 5.374 -2.256 35 HG13 VAL 5 HG13 VAL 5 14.388 5.465 -4.015 36 HG21 VAL 5 HG21 VAL 5 15.244 7.655 -1.926 37 HG22 VAL 5 HG22 VAL 5 14.543 9.068 -2.712 38 HG23 VAL 5 HG23 VAL 5 15.468 7.905 -3.659 39 H GLU 6 HN GLU 6 13.453 9.984 -5.342 40 HA GLU 6 HA GLU 6 14.720 9.341 -7.757 41 HB2 GLU 6 HB2 GLU 6 13.948 11.643 -7.091 42 HB3 GLU 6 HB1 GLU 6 15.287 11.743 -5.960 43 HG2 GLU 6 HG2 GLU 6 15.818 12.979 -7.974 44 HG3 GLU 6 HG1 GLU 6 16.889 11.581 -7.847 45 H LYS 7 HN LYS 7 16.268 10.315 -4.661 46 HA LYS 7 HA LYS 7 18.174 8.204 -4.681 47 HB2 LYS 7 HB2 LYS 7 20.248 9.533 -4.941 48 HB3 LYS 7 HB1 LYS 7 19.284 9.543 -6.410 49 HG2 LYS 7 HG2 LYS 7 18.593 11.810 -6.062 50 HG3 LYS 7 HG1 LYS 7 19.223 11.819 -4.412 51 HD2 LYS 7 HD2 LYS 7 20.689 13.052 -6.014 52 HD3 LYS 7 HD1 LYS 7 21.519 11.714 -5.217 53 HE2 LYS 7 HE2 LYS 7 22.082 11.838 -7.617 54 HE3 LYS 7 HE1 LYS 7 21.257 10.332 -7.238 55 HZ1 LYS 7 HZ1 LYS 7 19.214 11.288 -8.115 56 HZ2 LYS 7 HZ2 LYS 7 20.436 11.288 -9.278 57 HZ3 LYS 7 HZ3 LYS 7 20.026 12.723 -8.488 58 H VAL 8 HN VAL 8 19.768 8.438 -2.947 59 HA VAL 8 HA VAL 8 18.759 9.532 -0.493 60 HB VAL 8 HB VAL 8 21.528 8.404 -1.157 61 HG11 VAL 8 HG11 VAL 8 21.592 9.763 0.893 62 HG12 VAL 8 HG12 VAL 8 21.774 8.056 1.293 63 HG13 VAL 8 HG13 VAL 8 20.228 8.863 1.565 64 HG21 VAL 8 HG21 VAL 8 20.727 6.263 -0.183 65 HG22 VAL 8 HG22 VAL 8 19.768 6.721 -1.591 66 HG23 VAL 8 HG23 VAL 8 19.117 6.958 0.033 67 H LEU 9 HN LEU 9 19.333 11.442 0.465 68 HA LEU 9 HA LEU 9 21.052 13.332 -1.005 69 HB2 LEU 9 HB2 LEU 9 19.022 13.929 1.188 70 HB3 LEU 9 HB1 LEU 9 19.921 15.113 0.244 71 HG LEU 9 HG LEU 9 17.683 13.290 -0.712 72 HD11 LEU 9 HD11 LEU 9 16.929 15.283 0.469 73 HD12 LEU 9 HD12 LEU 9 16.511 15.377 -1.238 74 HD13 LEU 9 HD13 LEU 9 17.868 16.319 -0.611 75 HD21 LEU 9 HD21 LEU 9 19.437 15.076 -2.437 76 HD22 LEU 9 HD22 LEU 9 17.961 14.264 -2.967 77 HD23 LEU 9 HD23 LEU 9 19.356 13.312 -2.478 78 H ASP 10 HN ASP 10 20.553 11.750 2.115 79 HA ASP 10 HA ASP 10 23.191 12.460 3.039 80 HB2 ASP 10 HB2 ASP 10 21.663 14.481 3.564 81 HB3 ASP 10 HB1 ASP 10 20.834 13.442 4.718 82 H ARG 11 HN ARG 11 23.634 11.474 5.184 83 HA ARG 11 HA ARG 11 22.115 8.967 5.664 84 HB2 ARG 11 HB2 ARG 11 24.238 8.544 4.432 85 HB3 ARG 11 HB1 ARG 11 25.140 9.414 5.667 86 HG2 ARG 11 HG2 ARG 11 24.470 7.657 7.331 87 HG3 ARG 11 HG1 ARG 11 23.677 6.768 6.022 88 HD2 ARG 11 HD2 ARG 11 25.847 6.564 4.849 89 HD3 ARG 11 HD1 ARG 11 26.636 7.476 6.144 90 HE ARG 11 HE ARG 11 25.306 4.869 6.617 91 HH11 ARG 11 HH11 ARG 11 28.147 6.906 6.987 92 HH12 ARG 11 HH12 ARG 11 28.973 5.761 7.987 93 HH21 ARG 11 HH21 ARG 11 26.440 3.359 7.881 94 HH22 ARG 11 HH22 ARG 11 28.010 3.767 8.499 95 H ARG 12 HN ARG 12 21.845 8.421 7.816 96 HA ARG 12 HA ARG 12 23.236 9.923 9.942 97 HB2 ARG 12 HB2 ARG 12 21.235 10.379 11.174 98 HB3 ARG 12 HB1 ARG 12 20.872 10.866 9.521 99 HG2 ARG 12 HG2 ARG 12 19.702 8.660 9.193 100 HG3 ARG 12 HG1 ARG 12 19.956 8.313 10.906 101 HD2 ARG 12 HD2 ARG 12 18.349 10.610 9.742 102 HD3 ARG 12 HD1 ARG 12 17.698 9.162 10.514 103 HE ARG 12 HE ARG 12 19.208 10.168 12.469 104 HH11 ARG 12 HH11 ARG 12 16.897 11.803 10.383 105 HH12 ARG 12 HH12 ARG 12 16.400 12.916 11.615 106 HH21 ARG 12 HH21 ARG 12 18.554 11.639 14.055 107 HH22 ARG 12 HH22 ARG 12 17.346 12.824 13.688 108 H VAL 13 HN VAL 13 23.153 8.794 12.025 109 HA VAL 13 HA VAL 13 22.370 5.938 11.904 110 HB VAL 13 HB VAL 13 24.668 7.098 13.570 111 HG11 VAL 13 HG11 VAL 13 23.753 4.197 13.252 112 HG12 VAL 13 HG12 VAL 13 23.542 5.190 14.696 113 HG13 VAL 13 HG13 VAL 13 25.163 4.734 14.169 114 HG21 VAL 13 HG21 VAL 13 26.199 5.807 12.098 115 HG22 VAL 13 HG22 VAL 13 25.303 7.020 11.181 116 HG23 VAL 13 HG23 VAL 13 24.830 5.321 11.091 117 H VAL 14 HN VAL 14 20.432 6.008 12.883 118 HA VAL 14 HA VAL 14 19.914 7.515 15.330 119 HB VAL 14 HB VAL 14 18.139 5.518 13.834 120 HG11 VAL 14 HG11 VAL 14 16.269 6.400 15.234 121 HG12 VAL 14 HG12 VAL 14 17.425 7.352 16.167 122 HG13 VAL 14 HG13 VAL 14 17.499 5.589 16.208 123 HG21 VAL 14 HG21 VAL 14 16.882 7.498 13.053 124 HG22 VAL 14 HG22 VAL 14 18.558 7.547 12.503 125 HG23 VAL 14 HG23 VAL 14 18.042 8.561 13.854 126 H ASN 15 HN ASN 15 21.001 6.731 16.991 127 HA ASN 15 HA ASN 15 21.680 5.493 18.713 128 HB2 ASN 15 HB2 ASN 15 19.274 4.776 18.835 129 HB3 ASN 15 HB1 ASN 15 19.667 3.384 17.830 130 HD21 ASN 15 HD21 ASN 15 19.974 4.827 20.990 131 HD22 ASN 15 HD22 ASN 15 20.540 3.412 21.803 132 H GLY 16 HN GLY 16 21.017 2.807 16.461 133 HA2 GLY 16 HA2 GLY 16 23.920 2.371 16.007 134 HA3 GLY 16 HA1 GLY 16 22.920 1.047 16.598 135 H LYS 17 HN LYS 17 20.774 2.545 14.737 136 HA LYS 17 HA LYS 17 21.262 0.885 12.388 137 HB2 LYS 17 HB2 LYS 17 19.110 0.426 13.115 138 HB3 LYS 17 HB1 LYS 17 18.841 2.030 13.786 139 HG2 LYS 17 HG2 LYS 17 18.696 2.839 11.395 140 HG3 LYS 17 HG1 LYS 17 18.646 1.148 10.890 141 HD2 LYS 17 HD2 LYS 17 16.368 1.934 10.995 142 HD3 LYS 17 HD1 LYS 17 16.600 0.874 12.380 143 HE2 LYS 17 HE2 LYS 17 16.733 2.747 13.893 144 HE3 LYS 17 HE1 LYS 17 16.852 3.902 12.564 145 HZ1 LYS 17 HZ1 LYS 17 14.487 2.187 13.049 146 HZ2 LYS 17 HZ2 LYS 17 14.612 3.479 11.954 147 HZ3 LYS 17 HZ3 LYS 17 14.646 3.767 13.621 148 H VAL 18 HN VAL 18 21.251 1.772 10.349 149 HA VAL 18 HA VAL 18 21.815 4.663 10.103 150 HB VAL 18 HB VAL 18 22.371 2.364 8.168 151 HG11 VAL 18 HG11 VAL 18 21.916 4.400 6.869 152 HG12 VAL 18 HG12 VAL 18 23.640 4.030 6.801 153 HG13 VAL 18 HG13 VAL 18 23.056 5.320 7.855 154 HG21 VAL 18 HG21 VAL 18 24.765 2.806 8.685 155 HG22 VAL 18 HG22 VAL 18 23.862 2.331 10.125 156 HG23 VAL 18 HG23 VAL 18 24.281 4.027 9.863 157 H GLU 19 HN GLU 19 20.344 5.976 9.222 158 HA GLU 19 HA GLU 19 18.296 4.883 7.367 159 HB2 GLU 19 HB2 GLU 19 17.939 7.338 9.150 160 HB3 GLU 19 HB1 GLU 19 16.726 6.588 8.110 161 HG2 GLU 19 HG2 GLU 19 16.969 4.508 9.593 162 HG3 GLU 19 HG1 GLU 19 17.886 5.525 10.704 163 H TYR 20 HN TYR 20 17.800 6.171 5.573 164 HA TYR 20 HA TYR 20 19.864 8.151 4.780 165 HB2 TYR 20 HB2 TYR 20 18.335 6.153 3.038 166 HB3 TYR 20 HB1 TYR 20 19.505 7.332 2.460 167 HD1 TYR 20 HD2 TYR 20 19.107 4.138 4.303 168 HD2 TYR 20 HD1 TYR 20 21.933 6.953 2.742 169 HE1 TYR 20 HE2 TYR 20 20.911 2.496 4.572 170 HE2 TYR 20 HE1 TYR 20 23.729 5.303 3.025 171 HH TYR 20 HH TYR 20 23.090 2.005 3.641 172 H PHE 21 HN PHE 21 19.111 10.091 4.002 173 HA PHE 21 HA PHE 21 16.319 10.784 4.243 174 HB2 PHE 21 HB2 PHE 21 18.284 12.297 4.868 175 HB3 PHE 21 HB1 PHE 21 18.611 12.487 3.150 176 HD1 PHE 21 HD1 PHE 21 15.403 12.534 5.128 177 HD2 PHE 21 HD2 PHE 21 18.064 14.715 2.588 178 HE1 PHE 21 HE1 PHE 21 13.853 14.438 5.134 179 HE2 PHE 21 HE2 PHE 21 16.501 16.614 2.595 180 HZ PHE 21 HZ PHE 21 14.401 16.480 3.870 181 H LEU 22 HN LEU 22 14.992 10.152 2.678 182 HA LEU 22 HA LEU 22 16.008 9.678 -0.020 183 HB2 LEU 22 HB2 LEU 22 13.350 8.957 1.272 184 HB3 LEU 22 HB1 LEU 22 13.832 8.525 -0.364 185 HG LEU 22 HG LEU 22 14.921 7.449 2.260 186 HD11 LEU 22 HD11 LEU 22 13.746 6.072 -0.173 187 HD12 LEU 22 HD12 LEU 22 12.921 6.392 1.355 188 HD13 LEU 22 HD13 LEU 22 14.287 5.300 1.315 189 HD21 LEU 22 HD21 LEU 22 16.909 7.912 0.900 190 HD22 LEU 22 HD22 LEU 22 16.214 7.042 -0.468 191 HD23 LEU 22 HD23 LEU 22 16.631 6.175 1.013 192 H LYS 23 HN LYS 23 15.910 11.387 -1.361 193 HA LYS 23 HA LYS 23 13.721 13.255 -1.405 194 HB2 LYS 23 HB2 LYS 23 16.135 13.664 -2.310 195 HB3 LYS 23 HB1 LYS 23 15.643 12.751 -3.725 196 HG2 LYS 23 HG2 LYS 23 14.286 15.294 -2.734 197 HG3 LYS 23 HG1 LYS 23 15.526 15.250 -3.988 198 HD2 LYS 23 HD2 LYS 23 14.038 13.881 -5.414 199 HD3 LYS 23 HD1 LYS 23 12.807 13.885 -4.150 200 HE2 LYS 23 HE2 LYS 23 12.376 15.525 -6.007 201 HE3 LYS 23 HE1 LYS 23 12.436 16.249 -4.399 202 HZ1 LYS 23 HZ1 LYS 23 13.644 17.514 -6.120 203 HZ2 LYS 23 HZ2 LYS 23 14.724 16.225 -6.288 204 HZ3 LYS 23 HZ3 LYS 23 14.618 17.056 -4.819 205 H TRP 24 HN TRP 24 11.768 12.451 -1.893 206 HA TRP 24 HA TRP 24 11.408 10.065 -3.439 207 HB2 TRP 24 HB2 TRP 24 9.329 12.058 -2.457 208 HB3 TRP 24 HB1 TRP 24 9.003 10.437 -3.073 209 HD1 TRP 24 HD1 TRP 24 9.753 12.261 0.082 210 HE1 TRP 24 HE1 TRP 24 10.086 10.613 2.017 211 HE3 TRP 24 HE3 TRP 24 10.102 7.911 -2.585 212 HZ2 TRP 24 HZ2 TRP 24 10.447 7.858 2.387 213 HZ3 TRP 24 HZ3 TRP 24 10.437 5.802 -1.358 214 HH2 TRP 24 HH2 TRP 24 10.609 5.777 1.082 215 H LYS 25 HN LYS 25 11.179 9.909 -5.568 216 HA LYS 25 HA LYS 25 11.778 12.065 -7.283 217 HB2 LYS 25 HB2 LYS 25 12.411 9.718 -7.718 218 HB3 LYS 25 HB1 LYS 25 10.716 9.287 -7.926 219 HG2 LYS 25 HG2 LYS 25 10.574 10.688 -9.923 220 HG3 LYS 25 HG1 LYS 25 12.239 11.233 -9.685 221 HD2 LYS 25 HD2 LYS 25 13.055 8.934 -10.047 222 HD3 LYS 25 HD1 LYS 25 11.394 8.362 -10.249 223 HE2 LYS 25 HE2 LYS 25 11.149 9.772 -12.263 224 HE3 LYS 25 HE1 LYS 25 12.794 10.382 -12.043 225 HZ1 LYS 25 HZ1 LYS 25 13.625 8.155 -12.343 226 HZ2 LYS 25 HZ2 LYS 25 12.693 8.625 -13.669 227 HZ3 LYS 25 HZ3 LYS 25 12.055 7.563 -12.527 228 H GLY 26 HN GLY 26 8.743 10.268 -6.724 229 HA2 GLY 26 HA2 GLY 26 7.216 11.887 -8.618 230 HA3 GLY 26 HA1 GLY 26 6.631 10.530 -7.672 231 H PHE 27 HN PHE 27 8.251 12.561 -5.580 232 HA PHE 27 HA PHE 27 5.826 14.082 -4.818 233 HB2 PHE 27 HB2 PHE 27 7.664 12.580 -2.899 234 HB3 PHE 27 HB1 PHE 27 6.276 13.554 -2.435 235 HD1 PHE 27 HD1 PHE 27 7.358 10.321 -3.877 236 HD2 PHE 27 HD2 PHE 27 3.974 12.710 -2.789 237 HE1 PHE 27 HE1 PHE 27 5.896 8.350 -4.076 238 HE2 PHE 27 HE2 PHE 27 2.524 10.726 -2.987 239 HZ PHE 27 HZ PHE 27 3.482 8.550 -3.631 240 H THR 28 HN THR 28 6.497 15.754 -3.031 241 HA THR 28 HA THR 28 8.435 17.465 -4.344 242 HB THR 28 HB THR 28 7.651 19.208 -2.733 243 HG1 THR 28 HG1 THR 28 6.891 17.084 -1.320 244 HG21 THR 28 HG21 THR 28 5.329 17.676 -3.974 245 HG22 THR 28 HG22 THR 28 6.342 18.852 -4.821 246 HG23 THR 28 HG23 THR 28 5.317 19.367 -3.480 247 H ASP 29 HN ASP 29 10.007 18.776 -3.079 248 HA ASP 29 HA ASP 29 11.794 17.211 -1.512 249 HB2 ASP 29 HB2 ASP 29 11.693 20.192 -2.088 250 HB3 ASP 29 HB1 ASP 29 12.978 19.449 -1.140 251 H ALA 30 HN ALA 30 9.194 19.411 -0.737 252 HA ALA 30 HA ALA 30 9.679 19.741 2.053 253 HB1 ALA 30 HB1 ALA 30 7.325 20.502 2.151 254 HB2 ALA 30 HB2 ALA 30 7.057 19.887 0.515 255 HB3 ALA 30 HB3 ALA 30 8.176 21.222 0.783 256 H ASP 31 HN ASP 31 8.694 17.015 0.232 257 HA ASP 31 HA ASP 31 7.300 15.710 2.496 258 HB2 ASP 31 HB2 ASP 31 6.075 16.023 0.284 259 HB3 ASP 31 HB1 ASP 31 7.255 14.953 -0.464 260 H ASN 32 HN ASN 32 10.351 15.828 1.058 261 HA ASN 32 HA ASN 32 11.261 13.179 0.972 262 HB2 ASN 32 HB2 ASN 32 12.835 15.644 1.830 263 HB3 ASN 32 HB1 ASN 32 13.550 14.099 1.371 264 HD21 ASN 32 HD21 ASN 32 14.207 16.503 0.166 265 HD22 ASN 32 HD22 ASN 32 13.685 16.473 -1.481 266 H THR 33 HN THR 33 11.670 11.651 2.507 267 HA THR 33 HA THR 33 11.698 12.440 5.372 268 HB THR 33 HB THR 33 10.337 10.371 5.875 269 HG1 THR 33 HG1 THR 33 10.322 9.054 4.186 270 HG21 THR 33 HG21 THR 33 8.923 12.371 4.082 271 HG22 THR 33 HG22 THR 33 9.209 12.569 5.811 272 HG23 THR 33 HG23 THR 33 8.139 11.287 5.236 273 H TRP 34 HN TRP 34 12.873 11.106 6.771 274 HA TRP 34 HA TRP 34 15.091 9.607 5.698 275 HB2 TRP 34 HB2 TRP 34 14.137 10.073 8.559 276 HB3 TRP 34 HB1 TRP 34 15.586 9.160 8.156 277 HD1 TRP 34 HD1 TRP 34 14.295 12.758 8.413 278 HE1 TRP 34 HE1 TRP 34 16.312 14.343 8.250 279 HE3 TRP 34 HE3 TRP 34 17.864 9.389 7.016 280 HZ2 TRP 34 HZ2 TRP 34 19.043 14.192 7.605 281 HZ3 TRP 34 HZ3 TRP 34 20.154 10.179 6.632 282 HH2 TRP 34 HH2 TRP 34 20.735 12.540 6.924 283 H GLU 35 HN GLU 35 14.887 7.509 5.053 284 HA GLU 35 HA GLU 35 13.101 5.716 6.604 285 HB2 GLU 35 HB2 GLU 35 13.824 5.510 3.658 286 HB3 GLU 35 HB1 GLU 35 12.863 4.333 4.548 287 HG2 GLU 35 HG2 GLU 35 12.114 7.178 3.807 288 HG3 GLU 35 HG1 GLU 35 11.365 5.684 3.258 289 HA PRO 36 HA PRO 36 16.855 3.629 7.762 290 HB2 PRO 36 HB2 PRO 36 15.809 1.187 8.542 291 HB3 PRO 36 HB1 PRO 36 15.726 2.666 9.508 292 HG2 PRO 36 HG2 PRO 36 13.628 1.449 7.733 293 HG3 PRO 36 HG1 PRO 36 13.451 2.165 9.347 294 HD2 PRO 36 HD2 PRO 36 12.800 3.528 7.090 295 HD3 PRO 36 HD1 PRO 36 13.460 4.347 8.522 296 H GLU 37 HN GLU 37 18.236 1.920 7.230 297 HA GLU 37 HA GLU 37 18.642 1.375 4.546 298 HB2 GLU 37 HB2 GLU 37 20.385 -0.221 5.380 299 HB3 GLU 37 HB1 GLU 37 20.423 1.336 6.205 300 HG2 GLU 37 HG2 GLU 37 19.109 0.292 8.090 301 HG3 GLU 37 HG1 GLU 37 19.290 -1.267 7.286 302 H GLU 38 HN GLU 38 16.986 -0.524 6.984 303 HA GLU 38 HA GLU 38 16.746 -2.999 5.558 304 HB2 GLU 38 HB2 GLU 38 15.260 -3.628 7.463 305 HB3 GLU 38 HB1 GLU 38 16.766 -2.898 8.011 306 HG2 GLU 38 HG2 GLU 38 15.521 -0.711 8.263 307 HG3 GLU 38 HG1 GLU 38 14.034 -1.588 7.913 308 H ASN 39 HN ASN 39 14.998 -0.051 5.563 309 HA ASN 39 HA ASN 39 12.448 -1.135 4.635 310 HB2 ASN 39 HB2 ASN 39 12.530 0.645 6.357 311 HB3 ASN 39 HB1 ASN 39 13.385 1.700 5.244 312 HD21 ASN 39 HD21 ASN 39 11.773 3.254 5.492 313 HD22 ASN 39 HD22 ASN 39 10.257 3.102 4.705 314 H LEU 40 HN LEU 40 15.366 0.143 3.339 315 HA LEU 40 HA LEU 40 14.286 1.228 0.893 316 HB2 LEU 40 HB2 LEU 40 17.168 0.406 1.430 317 HB3 LEU 40 HB1 LEU 40 16.586 1.460 0.149 318 HG LEU 40 HG LEU 40 16.960 2.059 3.091 319 HD11 LEU 40 HD11 LEU 40 18.110 4.054 2.229 320 HD12 LEU 40 HD12 LEU 40 17.772 3.545 0.571 321 HD13 LEU 40 HD13 LEU 40 18.812 2.562 1.609 322 HD21 LEU 40 HD21 LEU 40 15.119 3.614 1.253 323 HD22 LEU 40 HD22 LEU 40 15.710 4.191 2.816 324 HD23 LEU 40 HD23 LEU 40 14.685 2.764 2.735 325 H ASP 41 HN ASP 41 13.739 0.111 -0.908 326 HA ASP 41 HA ASP 41 14.787 -2.642 -1.325 327 HB2 ASP 41 HB2 ASP 41 12.439 -1.191 -2.642 328 HB3 ASP 41 HB1 ASP 41 12.958 -2.836 -3.015 329 H CYS 42 HN CYS 42 16.027 0.100 -1.700 330 HA CYS 42 HA CYS 42 16.666 0.032 -4.583 331 HB2 CYS 42 HB2 CYS 42 17.109 2.512 -4.257 332 HB3 CYS 42 HB1 CYS 42 15.426 2.035 -4.071 333 HG CYS 42 HG CYS 42 15.171 3.325 -1.877 334 HA PRO 43 HA PRO 43 20.625 -0.919 -2.350 335 HB2 PRO 43 HB2 PRO 43 21.556 -2.837 -4.014 336 HB3 PRO 43 HB1 PRO 43 20.256 -3.168 -2.859 337 HG2 PRO 43 HG2 PRO 43 20.057 -2.571 -5.812 338 HG3 PRO 43 HG1 PRO 43 19.221 -3.827 -4.876 339 HD2 PRO 43 HD2 PRO 43 18.075 -1.405 -5.559 340 HD3 PRO 43 HD1 PRO 43 17.593 -2.346 -4.126 341 H GLU 44 HN GLU 44 20.049 -0.107 -5.725 342 HA GLU 44 HA GLU 44 22.756 0.535 -6.399 343 HB2 GLU 44 HB2 GLU 44 21.947 1.323 -8.523 344 HB3 GLU 44 HB1 GLU 44 21.058 -0.141 -8.128 345 HG2 GLU 44 HG2 GLU 44 19.987 2.688 -7.809 346 HG3 GLU 44 HG1 GLU 44 19.672 1.646 -9.194 347 H LEU 45 HN LEU 45 20.032 2.311 -5.019 348 HA LEU 45 HA LEU 45 21.195 4.920 -5.258 349 HB2 LEU 45 HB2 LEU 45 19.082 3.856 -3.342 350 HB3 LEU 45 HB1 LEU 45 19.585 5.541 -3.392 351 HG LEU 45 HG LEU 45 18.082 3.994 -5.535 352 HD11 LEU 45 HD11 LEU 45 16.729 4.846 -3.686 353 HD12 LEU 45 HD12 LEU 45 16.365 5.719 -5.171 354 HD13 LEU 45 HD13 LEU 45 17.367 6.474 -3.928 355 HD21 LEU 45 HD21 LEU 45 19.739 5.344 -6.697 356 HD22 LEU 45 HD22 LEU 45 19.278 6.778 -5.777 357 HD23 LEU 45 HD23 LEU 45 18.138 6.049 -6.912 358 H ILE 46 HN ILE 46 21.277 2.409 -2.733 359 HA ILE 46 HA ILE 46 22.695 3.884 -0.764 360 HB ILE 46 HB ILE 46 22.688 0.863 -1.243 361 HG12 ILE 46 HG12 ILE 46 20.952 2.529 0.651 362 HG13 ILE 46 HG11 ILE 46 20.403 1.849 -0.878 363 HG21 ILE 46 HG21 ILE 46 23.365 0.638 1.128 364 HG22 ILE 46 HG22 ILE 46 23.489 2.393 1.269 365 HG23 ILE 46 HG23 ILE 46 24.582 1.515 0.195 366 HD11 ILE 46 HD11 ILE 46 20.749 -0.412 0.009 367 HD12 ILE 46 HD12 ILE 46 19.640 0.528 1.007 368 HD13 ILE 46 HD13 ILE 46 21.302 0.275 1.540 369 H GLU 47 HN GLU 47 23.771 1.738 -3.381 370 HA GLU 47 HA GLU 47 26.566 1.916 -2.952 371 HB2 GLU 47 HB2 GLU 47 25.589 0.140 -4.351 372 HB3 GLU 47 HB1 GLU 47 24.993 1.335 -5.500 373 HG2 GLU 47 HG2 GLU 47 27.345 1.952 -6.047 374 HG3 GLU 47 HG1 GLU 47 27.914 0.725 -4.925 375 H ALA 48 HN ALA 48 24.323 3.734 -5.032 376 HA ALA 48 HA ALA 48 26.251 5.284 -6.414 377 HB1 ALA 48 HB1 ALA 48 24.364 6.691 -7.152 378 HB2 ALA 48 HB2 ALA 48 23.311 5.920 -5.957 379 HB3 ALA 48 HB3 ALA 48 23.972 4.978 -7.293 380 H PHE 49 HN PHE 49 24.527 5.746 -3.379 381 HA PHE 49 HA PHE 49 25.143 8.451 -2.853 382 HB2 PHE 49 HB2 PHE 49 23.451 7.344 -1.509 383 HB3 PHE 49 HB1 PHE 49 24.592 6.112 -0.973 384 HD1 PHE 49 HD1 PHE 49 24.046 9.838 -0.846 385 HD2 PHE 49 HD2 PHE 49 25.674 6.394 1.115 386 HE1 PHE 49 HE1 PHE 49 24.625 11.214 1.109 387 HE2 PHE 49 HE2 PHE 49 26.243 7.781 3.064 388 HZ PHE 49 HZ PHE 49 25.724 10.185 3.056 389 H LEU 50 HN LEU 50 26.826 5.428 -1.984 390 HA LEU 50 HA LEU 50 29.012 6.566 -0.601 391 HB2 LEU 50 HB2 LEU 50 28.819 3.938 -2.132 392 HB3 LEU 50 HB1 LEU 50 30.141 4.356 -1.045 393 HG LEU 50 HG LEU 50 27.222 4.004 -0.235 394 HD11 LEU 50 HD11 LEU 50 28.265 1.871 -0.804 395 HD12 LEU 50 HD12 LEU 50 27.966 1.979 0.928 396 HD13 LEU 50 HD13 LEU 50 29.603 2.199 0.303 397 HD21 LEU 50 HD21 LEU 50 28.281 5.704 1.159 398 HD22 LEU 50 HD22 LEU 50 29.647 4.635 1.493 399 HD23 LEU 50 HD23 LEU 50 28.038 4.231 2.096 400 H ASN 51 HN ASN 51 28.605 5.614 -4.009 401 HA ASN 51 HA ASN 51 31.212 6.331 -4.901 402 HB2 ASN 51 HB2 ASN 51 28.626 6.005 -6.495 403 HB3 ASN 51 HB1 ASN 51 30.236 6.115 -7.204 404 HD21 ASN 51 HD21 ASN 51 28.319 3.965 -7.461 405 HD22 ASN 51 HD22 ASN 51 29.076 2.540 -6.845 406 H SER 52 HN SER 52 28.329 8.193 -4.305 407 HA SER 52 HA SER 52 28.897 10.376 -6.097 408 HB2 SER 52 HB2 SER 52 26.580 9.844 -5.394 409 HB3 SER 52 HB1 SER 52 26.976 10.233 -3.720 410 HG SER 52 HG SER 52 26.715 11.939 -5.951 411 H GLN 53 HN GLN 53 28.860 10.136 -2.496 412 HA GLN 53 HA GLN 53 30.290 12.692 -2.325 413 HB2 GLN 53 HB2 GLN 53 29.696 12.515 0.164 414 HB3 GLN 53 HB1 GLN 53 28.370 12.745 -0.961 415 HG2 GLN 53 HG2 GLN 53 27.603 11.181 0.637 416 HG3 GLN 53 HG1 GLN 53 27.945 10.247 -0.812 417 HE21 GLN 53 HE21 GLN 53 28.205 8.287 0.249 418 HE22 GLN 53 HE22 GLN 53 29.516 7.958 1.327 419 H LYS 54 HN LYS 54 31.379 9.698 -2.707 420 HA LYS 54 HA LYS 54 33.917 10.316 -1.309 421 HB2 LYS 54 HB2 LYS 54 32.685 7.537 -1.624 422 HB3 LYS 54 HB1 LYS 54 34.333 7.836 -1.081 423 HG2 LYS 54 HG2 LYS 54 31.821 8.760 0.363 424 HG3 LYS 54 HG1 LYS 54 32.768 7.324 0.781 425 HD2 LYS 54 HD2 LYS 54 34.732 8.759 1.268 426 HD3 LYS 54 HD1 LYS 54 33.804 10.200 0.835 427 HE2 LYS 54 HE2 LYS 54 32.282 9.804 2.725 428 HE3 LYS 54 HE1 LYS 54 33.135 8.309 3.121 429 HZ1 LYS 54 HZ1 LYS 54 35.113 9.591 3.593 430 HZ2 LYS 54 HZ2 LYS 54 33.817 10.153 4.521 431 HZ3 LYS 54 HZ3 LYS 54 34.319 11.026 3.171 432 H1 ALA 1 HT1 ALA 1 5.990 6.886 -14.227 433 H2 ALA 1 HT2 ALA 1 6.375 7.298 -15.820 434 H3 ALA 1 HT3 ALA 1 6.287 8.494 -14.631 435 HA ALA 1 HA ALA 1 8.561 7.944 -15.218 436 HB1 ALA 1 HB1 ALA 1 7.791 7.163 -12.382 437 HB2 ALA 1 HB2 ALA 1 8.072 8.805 -12.962 438 HB3 ALA 1 HB3 ALA 1 9.403 7.647 -12.917 439 H ARG 2 HN ARG 2 9.739 6.362 -16.150 440 HA ARG 2 HA ARG 2 8.992 3.562 -15.931 441 HB2 ARG 2 HB2 ARG 2 11.220 4.955 -17.475 442 HB3 ARG 2 HB1 ARG 2 10.921 3.215 -17.536 443 HG2 ARG 2 HG2 ARG 2 8.655 3.644 -18.456 444 HG3 ARG 2 HG1 ARG 2 8.972 5.382 -18.420 445 HD2 ARG 2 HD2 ARG 2 10.779 5.113 -20.045 446 HD3 ARG 2 HD1 ARG 2 10.581 3.357 -20.011 447 HE ARG 2 HE ARG 2 8.184 4.770 -20.753 448 HH11 ARG 2 HH11 ARG 2 11.154 3.363 -22.012 449 HH12 ARG 2 HH12 ARG 2 10.532 3.217 -23.624 450 HH21 ARG 2 HH21 ARG 2 7.391 4.536 -22.830 451 HH22 ARG 2 HH22 ARG 2 8.395 3.883 -24.081 452 H THR 3 HN THR 3 12.006 5.413 -15.291 453 HA THR 3 HA THR 3 13.229 3.309 -13.776 454 HB THR 3 HB THR 3 14.844 5.192 -13.063 455 HG1 THR 3 HG1 THR 3 14.398 6.972 -14.866 456 HG21 THR 3 HG21 THR 3 14.444 4.783 -16.052 457 HG22 THR 3 HG22 THR 3 15.365 3.721 -14.983 458 HG23 THR 3 HG23 THR 3 15.916 5.370 -15.279 459 H LYS 4 HN LYS 4 12.007 2.663 -12.074 460 HA LYS 4 HA LYS 4 11.146 4.651 -10.059 461 HB2 LYS 4 HB2 LYS 4 9.456 2.840 -9.382 462 HB3 LYS 4 HB1 LYS 4 9.161 3.679 -10.900 463 HG2 LYS 4 HG2 LYS 4 10.010 1.769 -12.173 464 HG3 LYS 4 HG1 LYS 4 10.429 0.923 -10.680 465 HD2 LYS 4 HD2 LYS 4 7.592 1.745 -11.437 466 HD3 LYS 4 HD1 LYS 4 8.277 0.149 -11.772 467 HE2 LYS 4 HE2 LYS 4 7.964 1.369 -8.998 468 HE3 LYS 4 HE1 LYS 4 6.883 0.171 -9.708 469 HZ1 LYS 4 HZ1 LYS 4 8.442 -0.906 -8.270 470 HZ2 LYS 4 HZ2 LYS 4 9.756 -0.208 -9.069 471 HZ3 LYS 4 HZ3 LYS 4 8.789 -1.350 -9.856 472 H GLN 5 HN GLN 5 13.120 4.665 -8.956 473 HA GLN 5 HA GLN 5 14.291 2.314 -7.793 474 HB2 GLN 5 HB2 GLN 5 14.582 5.176 -6.795 475 HB3 GLN 5 HB1 GLN 5 15.609 3.821 -6.384 476 HG2 GLN 5 HG2 GLN 5 16.856 5.128 -7.886 477 HG3 GLN 5 HG1 GLN 5 16.289 3.764 -8.848 478 HE21 GLN 5 HE21 GLN 5 15.854 7.178 -8.182 479 HE22 GLN 5 HE22 GLN 5 15.066 7.571 -9.665 480 H THR 6 HN THR 6 13.164 1.138 -6.407 481 HA THR 6 HA THR 6 10.798 2.222 -5.120 482 HB THR 6 HB THR 6 10.435 0.190 -6.319 483 HG1 THR 6 HG1 THR 6 9.362 -0.864 -4.772 484 HG21 THR 6 HG21 THR 6 12.715 -0.728 -6.392 485 HG22 THR 6 HG22 THR 6 11.585 -1.948 -5.799 486 HG23 THR 6 HG23 THR 6 12.638 -1.097 -4.669 487 H ALA 7 HN ALA 7 10.466 2.493 -3.040 488 HA ALA 7 HA ALA 7 11.838 1.000 -0.967 489 HB1 ALA 7 HB1 ALA 7 13.304 2.988 -1.201 490 HB2 ALA 7 HB2 ALA 7 12.453 3.013 0.343 491 HB3 ALA 7 HB3 ALA 7 11.914 4.053 -0.979 492 H ARG 8 HN ARG 8 10.673 1.209 1.069 493 HA ARG 8 HA ARG 8 7.870 2.124 0.757 494 HB2 ARG 8 HB2 ARG 8 8.931 -0.354 1.755 495 HB3 ARG 8 HB1 ARG 8 8.315 0.492 3.161 496 HG2 ARG 8 HG2 ARG 8 6.603 -0.972 2.275 497 HG3 ARG 8 HG1 ARG 8 6.100 0.708 2.054 498 HD2 ARG 8 HD2 ARG 8 6.777 0.625 -0.299 499 HD3 ARG 8 HD1 ARG 8 7.377 -1.027 -0.087 500 HE ARG 8 HE ARG 8 4.588 -0.676 0.580 501 HH11 ARG 8 HH11 ARG 8 6.823 -1.442 -2.019 502 HH12 ARG 8 HH12 ARG 8 5.611 -2.226 -2.977 503 HH21 ARG 8 HH21 ARG 8 3.017 -1.667 -0.707 504 HH22 ARG 8 HH22 ARG 8 3.459 -2.348 -2.239 505 H M3L 9 HN M3L 9 7.054 2.553 3.231 506 HA M3L 9 HA M3L 9 8.980 4.336 4.604 507 HB2 M3L 9 HB2 M3L 9 5.989 4.870 4.236 508 HB3 M3L 9 HB1 M3L 9 7.119 5.881 5.148 509 HG2 M3L 9 HG2 M3L 9 8.397 6.294 3.046 510 HG3 M3L 9 HG1 M3L 9 7.198 5.345 2.156 511 HD2 M3L 9 HD2 M3L 9 5.443 6.997 2.906 512 HD3 M3L 9 HD1 M3L 9 6.736 7.979 3.612 513 HE2 M3L 9 HE2 M3L 9 7.811 8.033 1.309 514 HE3 M3L 9 HE1 M3L 9 6.361 7.243 0.689 515 HM11 M3L 9 HH33 M3L 9 7.388 9.867 -0.320 516 HM12 M3L 9 HH31 M3L 9 5.862 10.754 -0.289 517 HM13 M3L 9 HH32 M3L 9 5.900 9.084 -0.859 518 HM21 M3L 9 HH11 M3L 9 4.350 8.817 2.516 519 HM22 M3L 9 HH12 M3L 9 4.126 8.460 0.802 520 HM23 M3L 9 HH13 M3L 9 4.075 10.130 1.369 521 HM31 M3L 9 HH21 M3L 9 7.736 10.389 2.125 522 HM32 M3L 9 HH22 M3L 9 6.486 9.972 3.301 523 HM33 M3L 9 HH23 M3L 9 6.208 11.278 2.143 524 H SER 10 HN SER 10 8.742 4.418 6.899 525 HA SER 10 HA SER 10 7.895 1.998 8.154 526 HB2 SER 10 HB2 SER 10 8.473 3.174 10.302 527 HB3 SER 10 HB1 SER 10 9.767 3.282 9.107 528 HG SER 10 HG SER 10 9.437 5.287 10.036 529 H THR 11 HN THR 11 5.774 1.693 7.677 530 HA THR 11 HA THR 11 3.692 3.631 7.908 531 HB THR 11 HB THR 11 2.162 1.691 7.442 532 HG1 THR 11 HG1 THR 11 4.570 0.219 7.811 533 HG21 THR 11 HG21 THR 11 3.266 2.827 5.527 534 HG22 THR 11 HG22 THR 11 3.027 1.111 5.201 535 HG23 THR 11 HG23 THR 11 4.628 1.708 5.647 536 H GLY 12 HN GLY 12 1.981 3.710 9.374 537 HA2 GLY 12 HA2 GLY 12 0.807 3.273 11.350 538 HA3 GLY 12 HA1 GLY 12 2.096 2.211 11.894 539 H GLY 13 HN GLY 13 3.991 3.127 12.810 540 HA2 GLY 13 HA2 GLY 13 5.146 4.507 14.216 541 HA3 GLY 13 HA1 GLY 13 4.600 5.832 13.203 542 H LYS 14 HN LYS 14 2.745 6.940 13.742 543 HA LYS 14 HA LYS 14 1.002 6.361 15.894 544 HB2 LYS 14 HB2 LYS 14 3.006 7.155 17.218 545 HB3 LYS 14 HB1 LYS 14 2.943 8.690 16.358 546 HG2 LYS 14 HG2 LYS 14 0.689 9.116 17.312 547 HG3 LYS 14 HG1 LYS 14 0.787 7.584 18.188 548 HD2 LYS 14 HD2 LYS 14 2.756 8.433 19.438 549 HD3 LYS 14 HD1 LYS 14 2.651 9.963 18.555 550 HE2 LYS 14 HE2 LYS 14 1.641 10.152 20.789 551 HE3 LYS 14 HE1 LYS 14 0.429 10.384 19.530 552 HZ1 LYS 14 HZ1 LYS 14 0.871 7.881 21.065 553 HZ2 LYS 14 HZ2 LYS 14 -0.301 8.102 19.871 554 HZ3 LYS 14 HZ3 LYS 14 -0.384 8.977 21.315 555 H ALA 15 HN ALA 15 -0.204 6.609 13.903 556 HA ALA 15 HA ALA 15 -0.383 9.114 12.495 557 HB1 ALA 15 HB1 ALA 15 -0.722 6.959 11.337 558 HB2 ALA 15 HB2 ALA 15 -2.155 7.978 11.189 559 HB3 ALA 15 HB3 ALA 15 -2.144 6.632 12.331 Start of MODEL 13 1 H1 GLY 1 HT1 GLY 1 5.626 -0.192 -7.425 2 H2 GLY 1 HT2 GLY 1 7.220 -0.730 -7.594 3 H3 GLY 1 HT3 GLY 1 6.892 0.672 -6.716 4 HA2 GLY 1 HA1 GLY 1 6.074 -2.081 -5.995 5 HA3 GLY 1 HA2 GLY 1 7.374 -1.170 -5.237 6 H GLU 2 HN GLU 2 6.717 0.972 -4.275 7 HA GLU 2 HA GLU 2 3.976 1.239 -3.387 8 HB2 GLU 2 HB2 GLU 2 4.785 1.316 -0.907 9 HB3 GLU 2 HB1 GLU 2 4.538 -0.251 -1.671 10 HG2 GLU 2 HG2 GLU 2 7.060 -0.247 -2.158 11 HG3 GLU 2 HG1 GLU 2 7.162 1.124 -1.056 12 H PHE 3 HN PHE 3 7.087 2.562 -2.087 13 HA PHE 3 HA PHE 3 6.196 5.250 -3.027 14 HB2 PHE 3 HB2 PHE 3 7.910 4.513 -0.607 15 HB3 PHE 3 HB1 PHE 3 7.599 6.157 -1.155 16 HD1 PHE 3 HD1 PHE 3 5.292 7.107 -1.044 17 HD2 PHE 3 HD2 PHE 3 6.250 3.323 0.714 18 HE1 PHE 3 HE1 PHE 3 3.235 7.199 0.295 19 HE2 PHE 3 HE2 PHE 3 4.181 3.434 2.054 20 HZ PHE 3 HZ PHE 3 2.684 5.369 1.836 21 H VAL 4 HN VAL 4 7.354 5.884 -4.758 22 HA VAL 4 HA VAL 4 9.918 4.620 -5.347 23 HB VAL 4 HB VAL 4 8.297 4.814 -7.167 24 HG11 VAL 4 HG11 VAL 4 7.099 6.852 -6.516 25 HG12 VAL 4 HG12 VAL 4 7.652 6.966 -8.188 26 HG13 VAL 4 HG13 VAL 4 8.512 7.835 -6.914 27 HG21 VAL 4 HG21 VAL 4 9.788 5.728 -8.918 28 HG22 VAL 4 HG22 VAL 4 10.695 4.778 -7.740 29 HG23 VAL 4 HG23 VAL 4 10.754 6.541 -7.681 30 H VAL 5 HN VAL 5 11.854 5.563 -5.255 31 HA VAL 5 HA VAL 5 12.067 8.348 -4.286 32 HB VAL 5 HB VAL 5 12.721 6.954 -2.457 33 HG11 VAL 5 HG11 VAL 5 14.388 5.137 -2.566 34 HG12 VAL 5 HG12 VAL 5 14.538 5.373 -4.313 35 HG13 VAL 5 HG13 VAL 5 13.012 4.813 -3.629 36 HG21 VAL 5 HG21 VAL 5 14.228 8.869 -2.805 37 HG22 VAL 5 HG22 VAL 5 15.276 7.891 -3.833 38 HG23 VAL 5 HG23 VAL 5 15.124 7.511 -2.116 39 H GLU 6 HN GLU 6 13.253 9.693 -5.410 40 HA GLU 6 HA GLU 6 14.361 9.193 -7.956 41 HB2 GLU 6 HB2 GLU 6 13.522 11.419 -7.118 42 HB3 GLU 6 HB1 GLU 6 14.909 11.519 -6.048 43 HG2 GLU 6 HG2 GLU 6 15.344 12.916 -7.936 44 HG3 GLU 6 HG1 GLU 6 16.403 11.512 -8.065 45 H LYS 7 HN LYS 7 15.936 10.001 -4.840 46 HA LYS 7 HA LYS 7 18.023 8.095 -4.991 47 HB2 LYS 7 HB2 LYS 7 19.966 9.613 -5.322 48 HB3 LYS 7 HB1 LYS 7 18.938 9.541 -6.749 49 HG2 LYS 7 HG2 LYS 7 17.938 11.718 -6.174 50 HG3 LYS 7 HG1 LYS 7 18.931 11.804 -4.711 51 HD2 LYS 7 HD2 LYS 7 20.025 11.677 -7.559 52 HD3 LYS 7 HD1 LYS 7 19.838 13.163 -6.622 53 HE2 LYS 7 HE2 LYS 7 21.582 10.819 -5.774 54 HE3 LYS 7 HE1 LYS 7 22.174 12.242 -6.627 55 HZ1 LYS 7 HZ1 LYS 7 21.463 13.615 -4.780 56 HZ2 LYS 7 HZ2 LYS 7 22.519 12.406 -4.241 57 HZ3 LYS 7 HZ3 LYS 7 20.863 12.262 -3.965 58 H VAL 8 HN VAL 8 19.667 8.444 -3.260 59 HA VAL 8 HA VAL 8 18.578 9.531 -0.813 60 HB VAL 8 HB VAL 8 21.369 8.410 -1.370 61 HG11 VAL 8 HG11 VAL 8 21.565 8.122 1.066 62 HG12 VAL 8 HG12 VAL 8 19.973 8.843 1.303 63 HG13 VAL 8 HG13 VAL 8 21.298 9.818 0.663 64 HG21 VAL 8 HG21 VAL 8 20.573 6.276 -0.411 65 HG22 VAL 8 HG22 VAL 8 19.637 6.705 -1.843 66 HG23 VAL 8 HG23 VAL 8 18.947 6.942 -0.236 67 H LEU 9 HN LEU 9 19.362 11.331 0.300 68 HA LEU 9 HA LEU 9 20.931 13.315 -1.217 69 HB2 LEU 9 HB2 LEU 9 18.860 13.716 0.974 70 HB3 LEU 9 HB1 LEU 9 19.792 15.010 0.230 71 HG LEU 9 HG LEU 9 17.718 13.260 -1.160 72 HD11 LEU 9 HD11 LEU 9 16.403 15.337 -1.354 73 HD12 LEU 9 HD12 LEU 9 17.628 16.210 -0.429 74 HD13 LEU 9 HD13 LEU 9 16.704 14.912 0.330 75 HD21 LEU 9 HD21 LEU 9 19.430 15.492 -2.329 76 HD22 LEU 9 HD22 LEU 9 18.067 14.718 -3.144 77 HD23 LEU 9 HD23 LEU 9 19.499 13.776 -2.744 78 H ASP 10 HN ASP 10 20.447 11.892 2.030 79 HA ASP 10 HA ASP 10 23.184 12.512 2.803 80 HB2 ASP 10 HB2 ASP 10 21.787 14.570 3.398 81 HB3 ASP 10 HB1 ASP 10 20.877 13.562 4.517 82 H ARG 11 HN ARG 11 23.670 11.537 4.999 83 HA ARG 11 HA ARG 11 22.089 9.098 5.562 84 HB2 ARG 11 HB2 ARG 11 24.058 8.567 4.140 85 HB3 ARG 11 HB1 ARG 11 25.128 9.333 5.310 86 HG2 ARG 11 HG2 ARG 11 24.528 7.591 6.978 87 HG3 ARG 11 HG1 ARG 11 23.459 6.832 5.790 88 HD2 ARG 11 HD2 ARG 11 25.413 6.446 4.303 89 HD3 ARG 11 HD1 ARG 11 26.469 7.173 5.524 90 HE ARG 11 HE ARG 11 25.061 5.124 6.751 91 HH11 ARG 11 HH11 ARG 11 27.623 5.414 4.395 92 HH12 ARG 11 HH12 ARG 11 28.154 3.777 4.612 93 HH21 ARG 11 HH21 ARG 11 25.742 2.997 7.003 94 HH22 ARG 11 HH22 ARG 11 27.095 2.423 6.088 95 H ARG 12 HN ARG 12 22.000 8.499 7.710 96 HA ARG 12 HA ARG 12 23.596 9.869 9.768 97 HB2 ARG 12 HB2 ARG 12 21.671 10.436 11.124 98 HB3 ARG 12 HB1 ARG 12 21.356 11.071 9.513 99 HG2 ARG 12 HG2 ARG 12 19.881 9.162 9.025 100 HG3 ARG 12 HG1 ARG 12 20.209 8.479 10.618 101 HD2 ARG 12 HD2 ARG 12 18.834 11.136 10.084 102 HD3 ARG 12 HD1 ARG 12 18.026 9.625 10.511 103 HE ARG 12 HE ARG 12 19.990 10.371 12.443 104 HH11 ARG 12 HH11 ARG 12 16.666 10.921 11.480 105 HH12 ARG 12 HH12 ARG 12 16.202 11.557 13.026 106 HH21 ARG 12 HH21 ARG 12 19.377 11.200 14.440 107 HH22 ARG 12 HH22 ARG 12 17.742 11.730 14.693 108 H VAL 13 HN VAL 13 23.439 8.724 11.888 109 HA VAL 13 HA VAL 13 22.382 5.959 11.782 110 HB VAL 13 HB VAL 13 24.839 6.811 13.399 111 HG11 VAL 13 HG11 VAL 13 23.594 4.046 13.012 112 HG12 VAL 13 HG12 VAL 13 23.492 5.016 14.484 113 HG13 VAL 13 HG13 VAL 13 25.054 4.398 13.939 114 HG21 VAL 13 HG21 VAL 13 26.175 5.384 11.869 115 HG22 VAL 13 HG22 VAL 13 25.423 6.731 11.012 116 HG23 VAL 13 HG23 VAL 13 24.740 5.110 10.874 117 H VAL 14 HN VAL 14 20.576 6.000 13.002 118 HA VAL 14 HA VAL 14 20.440 7.747 15.393 119 HB VAL 14 HB VAL 14 18.753 8.317 13.697 120 HG11 VAL 14 HG11 VAL 14 16.945 6.780 13.020 121 HG12 VAL 14 HG12 VAL 14 17.689 5.478 13.952 122 HG13 VAL 14 HG13 VAL 14 18.527 6.146 12.551 123 HG21 VAL 14 HG21 VAL 14 16.717 8.208 15.116 124 HG22 VAL 14 HG22 VAL 14 18.144 8.645 16.058 125 HG23 VAL 14 HG23 VAL 14 17.502 7.003 16.143 126 H ASN 15 HN ASN 15 20.287 6.795 17.332 127 HA ASN 15 HA ASN 15 20.382 5.299 18.991 128 HB2 ASN 15 HB2 ASN 15 18.074 4.713 18.482 129 HB3 ASN 15 HB1 ASN 15 18.567 3.650 17.174 130 HD21 ASN 15 HD21 ASN 15 18.521 4.053 20.680 131 HD22 ASN 15 HD22 ASN 15 18.712 2.376 21.059 132 H GLY 16 HN GLY 16 20.442 3.058 16.220 133 HA2 GLY 16 HA2 GLY 16 23.288 2.664 16.278 134 HA3 GLY 16 HA1 GLY 16 22.394 1.295 16.946 135 H LYS 17 HN LYS 17 20.741 3.072 14.504 136 HA LYS 17 HA LYS 17 21.390 1.037 12.448 137 HB2 LYS 17 HB2 LYS 17 19.158 0.859 11.803 138 HB3 LYS 17 HB1 LYS 17 18.981 1.089 13.533 139 HG2 LYS 17 HG2 LYS 17 18.347 3.423 13.222 140 HG3 LYS 17 HG1 LYS 17 18.693 3.323 11.496 141 HD2 LYS 17 HD2 LYS 17 16.258 3.215 11.982 142 HD3 LYS 17 HD1 LYS 17 16.848 1.779 11.141 143 HE2 LYS 17 HE2 LYS 17 16.899 0.562 13.310 144 HE3 LYS 17 HE1 LYS 17 16.245 1.995 14.114 145 HZ1 LYS 17 HZ1 LYS 17 14.519 0.408 13.598 146 HZ2 LYS 17 HZ2 LYS 17 14.909 0.449 11.952 147 HZ3 LYS 17 HZ3 LYS 17 14.282 1.828 12.711 148 H VAL 18 HN VAL 18 21.113 1.810 10.225 149 HA VAL 18 HA VAL 18 22.044 4.594 9.928 150 HB VAL 18 HB VAL 18 22.261 2.201 8.043 151 HG11 VAL 18 HG11 VAL 18 22.068 4.282 6.761 152 HG12 VAL 18 HG12 VAL 18 23.709 3.645 6.643 153 HG13 VAL 18 HG13 VAL 18 23.369 5.014 7.706 154 HG21 VAL 18 HG21 VAL 18 23.754 1.988 10.000 155 HG22 VAL 18 HG22 VAL 18 24.427 3.589 9.688 156 HG23 VAL 18 HG23 VAL 18 24.698 2.278 8.536 157 H GLU 19 HN GLU 19 20.448 6.010 9.362 158 HA GLU 19 HA GLU 19 18.426 5.184 7.384 159 HB2 GLU 19 HB2 GLU 19 18.430 7.710 9.062 160 HB3 GLU 19 HB1 GLU 19 17.167 7.205 7.941 161 HG2 GLU 19 HG2 GLU 19 16.881 5.142 9.395 162 HG3 GLU 19 HG1 GLU 19 17.931 5.924 10.577 163 H TYR 20 HN TYR 20 17.809 6.706 5.750 164 HA TYR 20 HA TYR 20 19.980 8.358 4.635 165 HB2 TYR 20 HB2 TYR 20 18.421 6.164 3.166 166 HB3 TYR 20 HB1 TYR 20 19.436 7.353 2.365 167 HD1 TYR 20 HD2 TYR 20 21.923 7.219 2.549 168 HD2 TYR 20 HD1 TYR 20 19.436 4.254 4.364 169 HE1 TYR 20 HE2 TYR 20 23.856 5.729 2.759 170 HE2 TYR 20 HE1 TYR 20 21.384 2.768 4.580 171 HH TYR 20 HH TYR 20 23.591 2.442 3.511 172 H PHE 21 HN PHE 21 19.169 10.291 3.951 173 HA PHE 21 HA PHE 21 16.371 10.935 4.190 174 HB2 PHE 21 HB2 PHE 21 18.336 12.453 4.827 175 HB3 PHE 21 HB1 PHE 21 18.647 12.674 3.111 176 HD1 PHE 21 HD1 PHE 21 15.556 12.747 5.269 177 HD2 PHE 21 HD2 PHE 21 18.007 14.829 2.447 178 HE1 PHE 21 HE1 PHE 21 14.009 14.655 5.327 179 HE2 PHE 21 HE2 PHE 21 16.447 16.730 2.506 180 HZ PHE 21 HZ PHE 21 14.453 16.645 3.945 181 H LEU 22 HN LEU 22 15.028 10.316 2.581 182 HA LEU 22 HA LEU 22 16.088 9.852 -0.100 183 HB2 LEU 22 HB2 LEU 22 13.390 9.172 1.121 184 HB3 LEU 22 HB1 LEU 22 13.876 8.776 -0.522 185 HG LEU 22 HG LEU 22 14.868 7.579 2.081 186 HD11 LEU 22 HD11 LEU 22 14.256 5.481 0.972 187 HD12 LEU 22 HD12 LEU 22 13.783 6.357 -0.478 188 HD13 LEU 22 HD13 LEU 22 12.901 6.593 1.032 189 HD21 LEU 22 HD21 LEU 22 16.290 7.332 -0.603 190 HD22 LEU 22 HD22 LEU 22 16.626 6.350 0.827 191 HD23 LEU 22 HD23 LEU 22 16.926 8.083 0.862 192 H LYS 23 HN LYS 23 15.959 11.411 -1.574 193 HA LYS 23 HA LYS 23 13.842 13.363 -1.694 194 HB2 LYS 23 HB2 LYS 23 16.264 13.553 -2.721 195 HB3 LYS 23 HB1 LYS 23 15.652 12.574 -4.039 196 HG2 LYS 23 HG2 LYS 23 14.575 15.301 -3.202 197 HG3 LYS 23 HG1 LYS 23 15.697 15.014 -4.537 198 HD2 LYS 23 HD2 LYS 23 13.901 13.559 -5.603 199 HD3 LYS 23 HD1 LYS 23 12.801 14.087 -4.320 200 HE2 LYS 23 HE2 LYS 23 14.185 15.953 -6.279 201 HE3 LYS 23 HE1 LYS 23 12.533 15.357 -6.451 202 HZ1 LYS 23 HZ1 LYS 23 12.539 17.525 -5.476 203 HZ2 LYS 23 HZ2 LYS 23 13.577 17.028 -4.238 204 HZ3 LYS 23 HZ3 LYS 23 12.007 16.408 -4.327 205 H TRP 24 HN TRP 24 11.846 12.443 -1.914 206 HA TRP 24 HA TRP 24 11.374 9.985 -3.300 207 HB2 TRP 24 HB2 TRP 24 9.415 12.069 -2.252 208 HB3 TRP 24 HB1 TRP 24 8.971 10.468 -2.839 209 HD1 TRP 24 HD1 TRP 24 10.001 12.242 0.255 210 HE1 TRP 24 HE1 TRP 24 10.310 10.571 2.178 211 HE3 TRP 24 HE3 TRP 24 9.967 7.911 -2.435 212 HZ2 TRP 24 HZ2 TRP 24 10.510 7.796 2.511 213 HZ3 TRP 24 HZ3 TRP 24 10.226 5.780 -1.246 214 HH2 TRP 24 HH2 TRP 24 10.497 5.721 1.182 215 H LYS 25 HN LYS 25 10.445 9.643 -5.271 216 HA LYS 25 HA LYS 25 10.774 11.782 -7.231 217 HB2 LYS 25 HB2 LYS 25 11.819 9.461 -7.445 218 HB3 LYS 25 HB1 LYS 25 10.195 8.830 -7.709 219 HG2 LYS 25 HG2 LYS 25 9.970 10.178 -9.738 220 HG3 LYS 25 HG1 LYS 25 11.550 10.921 -9.446 221 HD2 LYS 25 HD2 LYS 25 12.616 8.677 -9.665 222 HD3 LYS 25 HD1 LYS 25 11.034 7.972 -10.020 223 HE2 LYS 25 HE2 LYS 25 12.235 8.319 -12.092 224 HE3 LYS 25 HE1 LYS 25 10.887 9.452 -12.038 225 HZ1 LYS 25 HZ1 LYS 25 13.729 10.067 -11.439 226 HZ2 LYS 25 HZ2 LYS 25 12.454 11.170 -11.314 227 HZ3 LYS 25 HZ3 LYS 25 12.870 10.526 -12.821 228 H GLY 26 HN GLY 26 9.049 12.907 -7.919 229 HA2 GLY 26 HA2 GLY 26 6.859 13.163 -8.823 230 HA3 GLY 26 HA1 GLY 26 6.339 11.697 -8.007 231 H PHE 27 HN PHE 27 7.454 12.349 -5.462 232 HA PHE 27 HA PHE 27 5.547 14.223 -4.345 233 HB2 PHE 27 HB2 PHE 27 7.868 12.764 -3.002 234 HB3 PHE 27 HB1 PHE 27 6.573 13.617 -2.179 235 HD1 PHE 27 HD2 PHE 27 7.340 10.614 -4.256 236 HD2 PHE 27 HD1 PHE 27 4.477 12.518 -1.704 237 HE1 PHE 27 HE2 PHE 27 6.057 8.516 -4.122 238 HE2 PHE 27 HE1 PHE 27 3.201 10.409 -1.577 239 HZ PHE 27 HZ PHE 27 3.987 8.412 -2.786 240 H THR 28 HN THR 28 6.282 16.038 -2.919 241 HA THR 28 HA THR 28 8.371 17.642 -4.163 242 HB THR 28 HB THR 28 7.653 19.430 -2.596 243 HG1 THR 28 HG1 THR 28 6.454 17.290 -1.320 244 HG21 THR 28 HG21 THR 28 5.257 18.043 -3.871 245 HG22 THR 28 HG22 THR 28 6.350 19.161 -4.692 246 HG23 THR 28 HG23 THR 28 5.330 19.736 -3.372 247 H ASP 29 HN ASP 29 9.845 18.917 -2.590 248 HA ASP 29 HA ASP 29 11.506 17.096 -1.154 249 HB2 ASP 29 HB2 ASP 29 11.578 20.125 -1.409 250 HB3 ASP 29 HB1 ASP 29 12.799 19.207 -0.531 251 H ALA 30 HN ALA 30 8.789 19.004 -0.241 252 HA ALA 30 HA ALA 30 9.266 19.104 2.589 253 HB1 ALA 30 HB1 ALA 30 6.653 19.308 1.041 254 HB2 ALA 30 HB2 ALA 30 7.706 20.653 1.476 255 HB3 ALA 30 HB3 ALA 30 6.884 19.741 2.742 256 H ASP 31 HN ASP 31 8.190 16.613 0.409 257 HA ASP 31 HA ASP 31 7.051 14.909 2.481 258 HB2 ASP 31 HB2 ASP 31 7.580 14.430 -0.479 259 HB3 ASP 31 HB1 ASP 31 6.828 13.252 0.585 260 H ASN 32 HN ASN 32 10.167 15.478 1.028 261 HA ASN 32 HA ASN 32 11.449 13.038 1.200 262 HB2 ASN 32 HB2 ASN 32 12.645 15.762 1.804 263 HB3 ASN 32 HB1 ASN 32 13.592 14.297 1.566 264 HD21 ASN 32 HD21 ASN 32 14.141 16.416 0.037 265 HD22 ASN 32 HD22 ASN 32 13.597 16.180 -1.585 266 H THR 33 HN THR 33 11.969 11.680 2.759 267 HA THR 33 HA THR 33 12.046 12.525 5.592 268 HB THR 33 HB THR 33 10.652 10.399 6.118 269 HG1 THR 33 HG1 THR 33 10.311 9.287 4.342 270 HG21 THR 33 HG21 THR 33 9.228 12.710 4.758 271 HG22 THR 33 HG22 THR 33 9.702 12.651 6.456 272 HG23 THR 33 HG23 THR 33 8.475 11.537 5.845 273 H TRP 34 HN TRP 34 12.987 10.922 7.020 274 HA TRP 34 HA TRP 34 15.324 9.661 5.854 275 HB2 TRP 34 HB2 TRP 34 14.394 9.974 8.740 276 HB3 TRP 34 HB1 TRP 34 15.885 9.158 8.277 277 HD1 TRP 34 HD1 TRP 34 14.401 12.637 8.717 278 HE1 TRP 34 HE1 TRP 34 16.283 14.368 8.445 279 HE3 TRP 34 HE3 TRP 34 18.075 9.546 7.009 280 HZ2 TRP 34 HZ2 TRP 34 18.977 14.413 7.599 281 HZ3 TRP 34 HZ3 TRP 34 20.274 10.489 6.476 282 HH2 TRP 34 HH2 TRP 34 20.714 12.879 6.772 283 H GLU 35 HN GLU 35 15.044 7.704 4.962 284 HA GLU 35 HA GLU 35 13.482 5.647 6.411 285 HB2 GLU 35 HB2 GLU 35 14.309 5.682 3.497 286 HB3 GLU 35 HB1 GLU 35 13.318 4.449 4.272 287 HG2 GLU 35 HG2 GLU 35 12.599 7.301 3.566 288 HG3 GLU 35 HG1 GLU 35 11.849 5.811 3.010 289 HA PRO 36 HA PRO 36 17.584 3.841 7.199 290 HB2 PRO 36 HB2 PRO 36 16.652 1.463 8.287 291 HB3 PRO 36 HB1 PRO 36 16.853 2.972 9.189 292 HG2 PRO 36 HG2 PRO 36 14.365 1.774 8.019 293 HG3 PRO 36 HG1 PRO 36 14.583 2.649 9.548 294 HD2 PRO 36 HD2 PRO 36 13.493 3.792 7.319 295 HD3 PRO 36 HD1 PRO 36 14.400 4.725 8.523 296 H GLU 37 HN GLU 37 18.799 2.012 6.493 297 HA GLU 37 HA GLU 37 18.581 1.335 3.809 298 HB2 GLU 37 HB2 GLU 37 20.281 -0.588 4.523 299 HB3 GLU 37 HB1 GLU 37 20.750 1.092 4.577 300 HG2 GLU 37 HG2 GLU 37 21.537 -0.178 6.540 301 HG3 GLU 37 HG1 GLU 37 20.499 1.172 6.983 302 H GLU 38 HN GLU 38 17.168 -0.267 6.548 303 HA GLU 38 HA GLU 38 16.482 -2.753 5.376 304 HB2 GLU 38 HB2 GLU 38 14.916 -2.970 7.315 305 HB3 GLU 38 HB1 GLU 38 16.530 -2.462 7.803 306 HG2 GLU 38 HG2 GLU 38 15.769 -0.148 8.013 307 HG3 GLU 38 HG1 GLU 38 14.162 -0.599 7.462 308 H ASN 39 HN ASN 39 14.950 0.410 5.371 309 HA ASN 39 HA ASN 39 12.430 -0.447 4.235 310 HB2 ASN 39 HB2 ASN 39 13.632 2.304 4.758 311 HB3 ASN 39 HB1 ASN 39 12.062 2.086 3.988 312 HD21 ASN 39 HD21 ASN 39 10.987 3.150 5.672 313 HD22 ASN 39 HD22 ASN 39 10.772 2.435 7.226 314 H LEU 40 HN LEU 40 15.527 0.649 3.038 315 HA LEU 40 HA LEU 40 14.601 1.590 0.483 316 HB2 LEU 40 HB2 LEU 40 17.444 0.751 1.185 317 HB3 LEU 40 HB1 LEU 40 16.932 1.830 -0.108 318 HG LEU 40 HG LEU 40 17.062 2.376 2.871 319 HD11 LEU 40 HD11 LEU 40 18.236 3.843 0.489 320 HD12 LEU 40 HD12 LEU 40 19.099 2.795 1.621 321 HD13 LEU 40 HD13 LEU 40 18.404 4.309 2.185 322 HD21 LEU 40 HD21 LEU 40 14.882 3.212 2.224 323 HD22 LEU 40 HD22 LEU 40 15.576 4.084 0.856 324 HD23 LEU 40 HD23 LEU 40 15.978 4.561 2.510 325 H ASP 41 HN ASP 41 13.816 0.242 -1.069 326 HA ASP 41 HA ASP 41 14.757 -2.532 -1.288 327 HB2 ASP 41 HB2 ASP 41 12.333 -2.041 -1.542 328 HB3 ASP 41 HB1 ASP 41 12.672 -0.981 -2.903 329 H CYS 42 HN CYS 42 15.752 0.478 -2.312 330 HA CYS 42 HA CYS 42 16.902 -0.280 -4.898 331 HB2 CYS 42 HB2 CYS 42 17.582 2.168 -4.911 332 HB3 CYS 42 HB1 CYS 42 15.850 1.888 -4.808 333 HG CYS 42 HG CYS 42 15.493 3.387 -2.776 334 HA PRO 43 HA PRO 43 20.656 -1.193 -2.335 335 HB2 PRO 43 HB2 PRO 43 21.765 -3.054 -3.977 336 HB3 PRO 43 HB1 PRO 43 20.390 -3.446 -2.931 337 HG2 PRO 43 HG2 PRO 43 20.400 -2.762 -5.872 338 HG3 PRO 43 HG1 PRO 43 19.541 -4.074 -5.037 339 HD2 PRO 43 HD2 PRO 43 18.342 -1.704 -5.727 340 HD3 PRO 43 HD1 PRO 43 17.834 -2.667 -4.322 341 H GLU 44 HN GLU 44 20.273 -0.275 -5.657 342 HA GLU 44 HA GLU 44 23.003 0.391 -6.250 343 HB2 GLU 44 HB2 GLU 44 22.036 1.205 -8.409 344 HB3 GLU 44 HB1 GLU 44 21.566 -0.447 -8.008 345 HG2 GLU 44 HG2 GLU 44 19.388 0.601 -7.058 346 HG3 GLU 44 HG1 GLU 44 19.873 2.062 -7.917 347 H LEU 45 HN LEU 45 20.153 2.168 -5.107 348 HA LEU 45 HA LEU 45 21.333 4.776 -5.500 349 HB2 LEU 45 HB2 LEU 45 18.840 3.858 -4.038 350 HB3 LEU 45 HB1 LEU 45 19.375 5.532 -3.969 351 HG LEU 45 HG LEU 45 18.616 4.035 -6.520 352 HD11 LEU 45 HD11 LEU 45 16.643 5.520 -6.573 353 HD12 LEU 45 HD12 LEU 45 17.102 6.195 -5.007 354 HD13 LEU 45 HD13 LEU 45 16.652 4.495 -5.138 355 HD21 LEU 45 HD21 LEU 45 20.365 5.698 -6.956 356 HD22 LEU 45 HD22 LEU 45 19.421 6.946 -6.138 357 HD23 LEU 45 HD23 LEU 45 18.828 6.230 -7.637 358 H ILE 46 HN ILE 46 21.265 2.423 -2.907 359 HA ILE 46 HA ILE 46 22.417 4.057 -0.864 360 HB ILE 46 HB ILE 46 22.743 1.028 -1.225 361 HG12 ILE 46 HG12 ILE 46 20.616 2.525 0.386 362 HG13 ILE 46 HG11 ILE 46 20.331 1.729 -1.157 363 HG21 ILE 46 HG21 ILE 46 23.158 0.982 1.218 364 HG22 ILE 46 HG22 ILE 46 23.042 2.741 1.277 365 HG23 ILE 46 HG23 ILE 46 24.357 1.974 0.383 366 HD11 ILE 46 HD11 ILE 46 20.874 -0.441 -0.109 367 HD12 ILE 46 HD12 ILE 46 19.515 0.374 0.663 368 HD13 ILE 46 HD13 ILE 46 21.099 0.383 1.437 369 H GLU 47 HN GLU 47 23.772 1.736 -3.191 370 HA GLU 47 HA GLU 47 26.488 1.966 -2.583 371 HB2 GLU 47 HB2 GLU 47 25.556 0.132 -3.937 372 HB3 GLU 47 HB1 GLU 47 25.149 1.261 -5.227 373 HG2 GLU 47 HG2 GLU 47 27.569 1.713 -5.574 374 HG3 GLU 47 HG1 GLU 47 27.956 0.559 -4.301 375 H ALA 48 HN ALA 48 24.601 3.584 -5.142 376 HA ALA 48 HA ALA 48 26.666 4.990 -6.411 377 HB1 ALA 48 HB1 ALA 48 23.731 5.765 -6.271 378 HB2 ALA 48 HB2 ALA 48 24.448 4.659 -7.442 379 HB3 ALA 48 HB3 ALA 48 24.911 6.360 -7.450 380 H PHE 49 HN PHE 49 24.467 5.983 -3.808 381 HA PHE 49 HA PHE 49 25.324 8.635 -3.419 382 HB2 PHE 49 HB2 PHE 49 23.264 7.893 -2.411 383 HB3 PHE 49 HB1 PHE 49 24.078 6.602 -1.532 384 HD1 PHE 49 HD1 PHE 49 23.951 10.346 -1.799 385 HD2 PHE 49 HD2 PHE 49 24.755 6.965 0.695 386 HE1 PHE 49 HE1 PHE 49 24.217 11.830 0.140 387 HE2 PHE 49 HE2 PHE 49 25.010 8.459 2.624 388 HZ PHE 49 HZ PHE 49 24.744 10.889 2.350 389 H LEU 50 HN LEU 50 26.418 5.611 -1.873 390 HA LEU 50 HA LEU 50 28.403 6.774 -0.194 391 HB2 LEU 50 HB2 LEU 50 28.179 3.916 -1.220 392 HB3 LEU 50 HB1 LEU 50 29.249 4.440 0.072 393 HG LEU 50 HG LEU 50 26.207 4.359 0.142 394 HD11 LEU 50 HD11 LEU 50 27.240 2.179 0.436 395 HD12 LEU 50 HD12 LEU 50 26.515 2.719 1.949 396 HD13 LEU 50 HD13 LEU 50 28.267 2.802 1.732 397 HD21 LEU 50 HD21 LEU 50 28.076 5.453 2.269 398 HD22 LEU 50 HD22 LEU 50 26.347 5.160 2.477 399 HD23 LEU 50 HD23 LEU 50 26.900 6.369 1.322 400 H ASN 51 HN ASN 51 28.419 5.819 -3.557 401 HA ASN 51 HA ASN 51 31.290 5.899 -3.913 402 HB2 ASN 51 HB2 ASN 51 29.008 5.807 -5.938 403 HB3 ASN 51 HB1 ASN 51 30.710 5.768 -6.388 404 HD21 ASN 51 HD21 ASN 51 28.670 3.786 -6.900 405 HD22 ASN 51 HD22 ASN 51 29.213 2.320 -6.172 406 H SER 52 HN SER 52 28.648 8.206 -4.083 407 HA SER 52 HA SER 52 29.910 10.181 -5.732 408 HB2 SER 52 HB2 SER 52 27.684 10.545 -3.663 409 HB3 SER 52 HB1 SER 52 28.095 11.676 -4.958 410 HG SER 52 HG SER 52 27.577 9.070 -5.735 411 H GLN 53 HN GLN 53 29.412 9.873 -2.245 412 HA GLN 53 HA GLN 53 31.095 12.119 -1.550 413 HB2 GLN 53 HB2 GLN 53 30.587 11.333 0.833 414 HB3 GLN 53 HB1 GLN 53 29.194 11.788 -0.142 415 HG2 GLN 53 HG2 GLN 53 28.752 9.394 -0.610 416 HG3 GLN 53 HG1 GLN 53 30.119 8.950 0.403 417 HE21 GLN 53 HE21 GLN 53 28.635 7.693 1.605 418 HE22 GLN 53 HE22 GLN 53 27.607 8.420 2.786 419 H LYS 54 HN LYS 54 31.331 8.558 -1.330 420 HA LYS 54 HA LYS 54 32.909 7.084 -0.743 421 HB2 LYS 54 HB2 LYS 54 34.723 9.235 -1.897 422 HB3 LYS 54 HB1 LYS 54 35.332 7.662 -1.384 423 HG2 LYS 54 HG2 LYS 54 33.892 6.535 -3.014 424 HG3 LYS 54 HG1 LYS 54 33.196 8.082 -3.508 425 HD2 LYS 54 HD2 LYS 54 36.123 7.287 -3.802 426 HD3 LYS 54 HD1 LYS 54 34.924 7.252 -5.100 427 HE2 LYS 54 HE2 LYS 54 34.629 9.721 -4.838 428 HE3 LYS 54 HE1 LYS 54 35.888 9.721 -3.600 429 HZ1 LYS 54 HZ1 LYS 54 37.455 8.926 -5.264 430 HZ2 LYS 54 HZ2 LYS 54 36.746 10.387 -5.737 431 HZ3 LYS 54 HZ3 LYS 54 36.239 8.937 -6.440 432 H1 ALA 1 HT1 ALA 1 20.908 0.885 -18.933 433 H2 ALA 1 HT2 ALA 1 19.386 1.402 -19.457 434 H3 ALA 1 HT3 ALA 1 19.515 0.045 -18.466 435 HA ALA 1 HA ALA 1 20.337 1.376 -16.660 436 HB1 ALA 1 HB1 ALA 1 19.875 3.715 -18.541 437 HB2 ALA 1 HB2 ALA 1 21.442 3.116 -17.996 438 HB3 ALA 1 HB3 ALA 1 20.329 3.844 -16.837 439 H ARG 2 HN ARG 2 18.724 1.362 -15.184 440 HA ARG 2 HA ARG 2 16.184 2.655 -15.599 441 HB2 ARG 2 HB2 ARG 2 14.781 0.581 -15.232 442 HB3 ARG 2 HB1 ARG 2 15.610 0.618 -16.783 443 HG2 ARG 2 HG2 ARG 2 17.300 -0.967 -15.942 444 HG3 ARG 2 HG1 ARG 2 16.513 -0.989 -14.363 445 HD2 ARG 2 HD2 ARG 2 15.880 -2.974 -15.635 446 HD3 ARG 2 HD1 ARG 2 14.466 -1.937 -15.409 447 HE ARG 2 HE ARG 2 15.547 -1.195 -17.831 448 HH11 ARG 2 HH11 ARG 2 14.222 -4.172 -16.526 449 HH12 ARG 2 HH12 ARG 2 13.709 -4.749 -18.079 450 HH21 ARG 2 HH21 ARG 2 14.883 -1.959 -19.824 451 HH22 ARG 2 HH22 ARG 2 14.084 -3.492 -19.939 452 H THR 3 HN THR 3 17.726 3.562 -13.802 453 HA THR 3 HA THR 3 17.446 2.324 -11.198 454 HB THR 3 HB THR 3 18.356 5.167 -11.860 455 HG1 THR 3 HG1 THR 3 19.844 2.760 -11.521 456 HG21 THR 3 HG21 THR 3 17.767 4.834 -9.459 457 HG22 THR 3 HG22 THR 3 19.501 5.070 -9.679 458 HG23 THR 3 HG23 THR 3 18.865 3.450 -9.395 459 H LYS 4 HN LYS 4 15.101 2.075 -11.558 460 HA LYS 4 HA LYS 4 13.501 4.358 -10.551 461 HB2 LYS 4 HB2 LYS 4 12.623 2.347 -12.701 462 HB3 LYS 4 HB1 LYS 4 11.612 3.609 -12.000 463 HG2 LYS 4 HG2 LYS 4 14.062 4.030 -13.750 464 HG3 LYS 4 HG1 LYS 4 12.373 4.214 -14.244 465 HD2 LYS 4 HD2 LYS 4 12.129 6.079 -12.584 466 HD3 LYS 4 HD1 LYS 4 13.840 5.902 -12.174 467 HE2 LYS 4 HE2 LYS 4 13.547 7.757 -13.730 468 HE3 LYS 4 HE1 LYS 4 14.444 6.461 -14.523 469 HZ1 LYS 4 HZ1 LYS 4 12.402 5.776 -15.615 470 HZ2 LYS 4 HZ2 LYS 4 12.746 7.395 -15.959 471 HZ3 LYS 4 HZ3 LYS 4 11.542 7.006 -14.843 472 H GLN 5 HN GLN 5 14.064 3.261 -8.546 473 HA GLN 5 HA GLN 5 12.675 0.674 -8.102 474 HB2 GLN 5 HB2 GLN 5 15.290 0.792 -7.961 475 HB3 GLN 5 HB1 GLN 5 15.037 1.632 -6.439 476 HG2 GLN 5 HG2 GLN 5 15.287 -0.567 -5.725 477 HG3 GLN 5 HG1 GLN 5 13.537 -0.435 -5.833 478 HE21 GLN 5 HE21 GLN 5 15.068 -2.831 -5.875 479 HE22 GLN 5 HE22 GLN 5 14.812 -3.604 -7.397 480 H THR 6 HN THR 6 11.982 0.347 -5.841 481 HA THR 6 HA THR 6 10.643 2.768 -4.840 482 HB THR 6 HB THR 6 9.245 0.818 -5.612 483 HG1 THR 6 HG1 THR 6 8.420 2.288 -4.076 484 HG21 THR 6 HG21 THR 6 9.045 -1.189 -4.219 485 HG22 THR 6 HG22 THR 6 10.330 -0.611 -3.159 486 HG23 THR 6 HG23 THR 6 10.697 -1.035 -4.832 487 H ALA 7 HN ALA 7 10.059 2.479 -2.465 488 HA ALA 7 HA ALA 7 11.976 1.280 -0.683 489 HB1 ALA 7 HB1 ALA 7 12.506 3.399 0.484 490 HB2 ALA 7 HB2 ALA 7 11.609 4.308 -0.737 491 HB3 ALA 7 HB3 ALA 7 13.076 3.437 -1.186 492 H ARG 8 HN ARG 8 11.235 1.723 1.568 493 HA ARG 8 HA ARG 8 8.279 1.506 1.707 494 HB2 ARG 8 HB2 ARG 8 9.705 -0.616 1.970 495 HB3 ARG 8 HB1 ARG 8 10.376 0.095 3.435 496 HG2 ARG 8 HG2 ARG 8 8.170 0.044 4.503 497 HG3 ARG 8 HG1 ARG 8 7.432 -0.534 3.006 498 HD2 ARG 8 HD2 ARG 8 8.976 -2.558 3.168 499 HD3 ARG 8 HD1 ARG 8 9.389 -2.002 4.796 500 HE ARG 8 HE ARG 8 6.559 -2.277 4.333 501 HH11 ARG 8 HH11 ARG 8 9.449 -3.953 5.395 502 HH12 ARG 8 HH12 ARG 8 8.574 -5.252 6.138 503 HH21 ARG 8 HH21 ARG 8 5.426 -3.977 5.271 504 HH22 ARG 8 HH22 ARG 8 6.281 -5.268 6.043 505 H M3L 9 HN M3L 9 7.392 2.146 3.841 506 HA M3L 9 HA M3L 9 9.070 4.083 5.322 507 HB2 M3L 9 HB2 M3L 9 6.133 4.370 4.583 508 HB3 M3L 9 HB1 M3L 9 6.939 5.374 5.789 509 HG2 M3L 9 HG2 M3L 9 8.548 6.107 3.975 510 HG3 M3L 9 HG1 M3L 9 7.525 5.254 2.805 511 HD2 M3L 9 HD2 M3L 9 5.613 6.680 3.395 512 HD3 M3L 9 HD1 M3L 9 6.553 7.466 4.665 513 HE2 M3L 9 HE2 M3L 9 8.128 8.278 2.832 514 HE3 M3L 9 HE1 M3L 9 6.951 7.671 1.661 515 HM11 M3L 9 HH33 M3L 9 5.976 10.966 4.249 516 HM12 M3L 9 HH31 M3L 9 7.558 10.189 4.345 517 HM13 M3L 9 HH32 M3L 9 6.121 9.350 4.936 518 HM21 M3L 9 HH11 M3L 9 4.624 8.698 1.575 519 HM22 M3L 9 HH12 M3L 9 4.227 10.074 2.605 520 HM23 M3L 9 HH13 M3L 9 4.405 8.467 3.313 521 HM31 M3L 9 HH21 M3L 9 7.852 10.581 1.851 522 HM32 M3L 9 HH22 M3L 9 6.251 11.321 1.764 523 HM33 M3L 9 HH23 M3L 9 6.652 9.962 0.712 524 H SER 10 HN SER 10 5.778 3.359 6.334 525 HA SER 10 HA SER 10 6.954 2.306 8.808 526 HB2 SER 10 HB2 SER 10 4.714 2.951 9.805 527 HB3 SER 10 HB1 SER 10 5.611 4.309 9.122 528 HG SER 10 HG SER 10 3.693 2.920 7.576 529 H THR 11 HN THR 11 7.134 0.144 8.593 530 HA THR 11 HA THR 11 5.252 -1.633 7.426 531 HB THR 11 HB THR 11 7.587 -2.309 7.683 532 HG1 THR 11 HG1 THR 11 5.583 -3.833 8.939 533 HG21 THR 11 HG21 THR 11 7.142 -2.304 10.689 534 HG22 THR 11 HG22 THR 11 8.158 -1.169 9.799 535 HG23 THR 11 HG23 THR 11 8.589 -2.880 9.861 536 H GLY 12 HN GLY 12 5.633 -0.268 10.655 537 HA2 GLY 12 HA2 GLY 12 3.239 -1.633 11.701 538 HA3 GLY 12 HA1 GLY 12 4.315 -0.559 12.589 539 H GLY 13 HN GLY 13 1.280 -0.732 11.283 540 HA2 GLY 13 HA2 GLY 13 1.065 1.971 10.175 541 HA3 GLY 13 HA1 GLY 13 -0.180 0.732 10.210 542 H LYS 14 HN LYS 14 1.754 2.430 12.716 543 HA LYS 14 HA LYS 14 -0.631 3.727 13.785 544 HB2 LYS 14 HB2 LYS 14 -0.633 1.612 15.044 545 HB3 LYS 14 HB1 LYS 14 1.053 1.832 15.495 546 HG2 LYS 14 HG2 LYS 14 0.544 3.644 16.968 547 HG3 LYS 14 HG1 LYS 14 -1.084 3.825 16.316 548 HD2 LYS 14 HD2 LYS 14 -0.103 1.429 17.929 549 HD3 LYS 14 HD1 LYS 14 -1.060 2.770 18.572 550 HE2 LYS 14 HE2 LYS 14 -2.881 2.193 16.957 551 HE3 LYS 14 HE1 LYS 14 -1.937 0.795 16.428 552 HZ1 LYS 14 HZ1 LYS 14 -2.998 1.279 19.155 553 HZ2 LYS 14 HZ2 LYS 14 -2.052 -0.050 18.705 554 HZ3 LYS 14 HZ3 LYS 14 -3.585 0.163 18.031 555 H ALA 15 HN ALA 15 -0.091 5.769 14.012 556 HA ALA 15 HA ALA 15 2.708 6.548 14.618 557 HB1 ALA 15 HB1 ALA 15 2.306 8.569 13.267 558 HB2 ALA 15 HB2 ALA 15 0.667 8.029 12.904 559 HB3 ALA 15 HB3 ALA 15 2.050 7.114 12.297 Start of MODEL 14 1 H1 GLY 1 HT1 GLY 1 0.659 2.187 -6.692 2 H2 GLY 1 HT2 GLY 1 2.018 3.123 -6.335 3 H3 GLY 1 HT3 GLY 1 0.775 2.979 -5.204 4 HA2 GLY 1 HA1 GLY 1 1.222 0.600 -5.008 5 HA3 GLY 1 HA2 GLY 1 2.560 0.806 -6.132 6 H GLU 2 HN GLU 2 4.232 0.267 -4.740 7 HA GLU 2 HA GLU 2 4.486 1.371 -2.097 8 HB2 GLU 2 HB2 GLU 2 5.382 -0.892 -2.844 9 HB3 GLU 2 HB1 GLU 2 6.620 -0.043 -3.760 10 HG2 GLU 2 HG2 GLU 2 7.495 0.937 -1.684 11 HG3 GLU 2 HG1 GLU 2 6.239 0.123 -0.756 12 H PHE 3 HN PHE 3 6.566 2.660 -1.502 13 HA PHE 3 HA PHE 3 6.158 5.139 -2.949 14 HB2 PHE 3 HB2 PHE 3 7.953 4.631 -0.533 15 HB3 PHE 3 HB1 PHE 3 7.310 6.180 -1.068 16 HD1 PHE 3 HD2 PHE 3 4.891 6.706 -0.718 17 HD2 PHE 3 HD1 PHE 3 6.639 3.122 0.819 18 HE1 PHE 3 HE2 PHE 3 2.981 6.416 0.798 19 HE2 PHE 3 HE1 PHE 3 4.721 2.839 2.332 20 HZ PHE 3 HZ PHE 3 2.891 4.490 2.328 21 H VAL 4 HN VAL 4 7.378 5.580 -4.696 22 HA VAL 4 HA VAL 4 9.945 4.288 -5.148 23 HB VAL 4 HB VAL 4 9.897 5.504 -7.369 24 HG11 VAL 4 HG11 VAL 4 8.093 4.127 -8.341 25 HG12 VAL 4 HG12 VAL 4 7.436 3.834 -6.727 26 HG13 VAL 4 HG13 VAL 4 9.033 3.215 -7.158 27 HG21 VAL 4 HG21 VAL 4 7.131 6.432 -6.472 28 HG22 VAL 4 HG22 VAL 4 7.805 6.630 -8.094 29 HG23 VAL 4 HG23 VAL 4 8.539 7.468 -6.726 30 H VAL 5 HN VAL 5 11.907 5.211 -5.064 31 HA VAL 5 HA VAL 5 12.134 8.033 -4.191 32 HB VAL 5 HB VAL 5 12.735 6.754 -2.289 33 HG11 VAL 5 HG11 VAL 5 14.335 4.884 -2.248 34 HG12 VAL 5 HG12 VAL 5 14.510 4.992 -4.005 35 HG13 VAL 5 HG13 VAL 5 12.955 4.544 -3.299 36 HG21 VAL 5 HG21 VAL 5 14.304 8.599 -2.701 37 HG22 VAL 5 HG22 VAL 5 15.345 7.541 -3.655 38 HG23 VAL 5 HG23 VAL 5 15.146 7.255 -1.925 39 H GLU 6 HN GLU 6 13.323 9.318 -5.352 40 HA GLU 6 HA GLU 6 14.389 8.602 -7.887 41 HB2 GLU 6 HB2 GLU 6 13.340 10.817 -7.377 42 HB3 GLU 6 HB1 GLU 6 14.683 11.193 -6.304 43 HG2 GLU 6 HG2 GLU 6 16.196 10.923 -8.369 44 HG3 GLU 6 HG1 GLU 6 14.710 10.922 -9.317 45 H LYS 7 HN LYS 7 15.938 9.930 -4.917 46 HA LYS 7 HA LYS 7 18.329 8.338 -5.297 47 HB2 LYS 7 HB2 LYS 7 19.920 10.193 -5.402 48 HB3 LYS 7 HB1 LYS 7 18.823 10.260 -6.775 49 HG2 LYS 7 HG2 LYS 7 17.631 12.126 -5.866 50 HG3 LYS 7 HG1 LYS 7 18.410 11.957 -4.290 51 HD2 LYS 7 HD2 LYS 7 19.809 12.758 -6.884 52 HD3 LYS 7 HD1 LYS 7 19.335 13.865 -5.592 53 HE2 LYS 7 HE2 LYS 7 20.870 12.657 -4.034 54 HE3 LYS 7 HE1 LYS 7 21.370 11.612 -5.365 55 HZ1 LYS 7 HZ1 LYS 7 22.180 13.610 -6.516 56 HZ2 LYS 7 HZ2 LYS 7 22.958 13.342 -5.037 57 HZ3 LYS 7 HZ3 LYS 7 21.776 14.542 -5.163 58 H VAL 8 HN VAL 8 19.808 8.444 -3.517 59 HA VAL 8 HA VAL 8 18.723 9.309 -0.950 60 HB VAL 8 HB VAL 8 21.295 7.836 -1.682 61 HG11 VAL 8 HG11 VAL 8 20.299 8.555 1.107 62 HG12 VAL 8 HG12 VAL 8 21.728 9.219 0.308 63 HG13 VAL 8 HG13 VAL 8 21.674 7.511 0.746 64 HG21 VAL 8 HG21 VAL 8 19.241 6.475 -1.923 65 HG22 VAL 8 HG22 VAL 8 18.787 6.842 -0.257 66 HG23 VAL 8 HG23 VAL 8 20.233 5.882 -0.587 67 H LEU 9 HN LEU 9 19.478 11.000 0.194 68 HA LEU 9 HA LEU 9 21.107 13.015 -1.207 69 HB2 LEU 9 HB2 LEU 9 19.080 13.311 1.051 70 HB3 LEU 9 HB1 LEU 9 19.940 14.640 0.279 71 HG LEU 9 HG LEU 9 17.989 12.789 -1.155 72 HD11 LEU 9 HD11 LEU 9 16.785 14.133 0.479 73 HD12 LEU 9 HD12 LEU 9 16.406 14.652 -1.160 74 HD13 LEU 9 HD13 LEU 9 17.505 15.613 -0.164 75 HD21 LEU 9 HD21 LEU 9 19.688 13.714 -2.658 76 HD22 LEU 9 HD22 LEU 9 19.308 15.352 -2.118 77 HD23 LEU 9 HD23 LEU 9 18.103 14.409 -2.999 78 H ASP 10 HN ASP 10 20.593 11.559 2.036 79 HA ASP 10 HA ASP 10 23.287 12.205 2.900 80 HB2 ASP 10 HB2 ASP 10 21.895 14.309 3.305 81 HB3 ASP 10 HB1 ASP 10 20.933 13.382 4.451 82 H ARG 11 HN ARG 11 23.601 11.416 5.257 83 HA ARG 11 HA ARG 11 21.972 9.029 5.886 84 HB2 ARG 11 HB2 ARG 11 23.838 8.219 4.611 85 HB3 ARG 11 HB1 ARG 11 24.977 9.235 5.482 86 HG2 ARG 11 HG2 ARG 11 24.682 7.861 7.498 87 HG3 ARG 11 HG1 ARG 11 23.503 6.853 6.653 88 HD2 ARG 11 HD2 ARG 11 25.174 6.044 5.125 89 HD3 ARG 11 HD1 ARG 11 26.357 7.226 5.694 90 HE ARG 11 HE ARG 11 26.170 5.979 7.911 91 HH11 ARG 11 HH11 ARG 11 25.633 4.321 4.873 92 HH12 ARG 11 HH12 ARG 11 26.337 2.841 5.426 93 HH21 ARG 11 HH21 ARG 11 27.080 4.046 8.637 94 HH22 ARG 11 HH22 ARG 11 27.157 2.685 7.563 95 H ARG 12 HN ARG 12 21.742 8.595 8.039 96 HA ARG 12 HA ARG 12 23.289 10.024 10.119 97 HB2 ARG 12 HB2 ARG 12 21.276 10.529 11.392 98 HB3 ARG 12 HB1 ARG 12 20.997 11.111 9.754 99 HG2 ARG 12 HG2 ARG 12 19.748 8.960 9.298 100 HG3 ARG 12 HG1 ARG 12 19.876 8.588 11.017 101 HD2 ARG 12 HD2 ARG 12 18.485 11.018 9.832 102 HD3 ARG 12 HD1 ARG 12 17.682 9.547 10.388 103 HE ARG 12 HE ARG 12 19.292 11.118 12.284 104 HH11 ARG 12 HH11 ARG 12 16.132 9.923 11.300 105 HH12 ARG 12 HH12 ARG 12 15.328 10.541 12.705 106 HH21 ARG 12 HH21 ARG 12 18.224 11.886 14.117 107 HH22 ARG 12 HH22 ARG 12 16.523 11.654 14.297 108 H VAL 13 HN VAL 13 22.985 8.856 12.299 109 HA VAL 13 HA VAL 13 22.387 5.960 12.024 110 HB VAL 13 HB VAL 13 24.654 7.134 13.711 111 HG11 VAL 13 HG11 VAL 13 23.617 5.186 14.828 112 HG12 VAL 13 HG12 VAL 13 25.223 4.759 14.238 113 HG13 VAL 13 HG13 VAL 13 23.791 4.221 13.356 114 HG21 VAL 13 HG21 VAL 13 25.245 7.126 11.324 115 HG22 VAL 13 HG22 VAL 13 24.798 5.423 11.195 116 HG23 VAL 13 HG23 VAL 13 26.179 5.900 12.187 117 H VAL 14 HN VAL 14 20.553 5.687 13.102 118 HA VAL 14 HA VAL 14 20.046 6.998 15.712 119 HB VAL 14 HB VAL 14 18.070 5.585 13.851 120 HG11 VAL 14 HG11 VAL 14 16.294 6.517 15.321 121 HG12 VAL 14 HG12 VAL 14 17.529 7.150 16.410 122 HG13 VAL 14 HG13 VAL 14 17.351 5.406 16.201 123 HG21 VAL 14 HG21 VAL 14 18.880 7.681 12.863 124 HG22 VAL 14 HG22 VAL 14 18.463 8.559 14.338 125 HG23 VAL 14 HG23 VAL 14 17.189 7.841 13.348 126 H ASN 15 HN ASN 15 20.929 5.712 17.246 127 HA ASN 15 HA ASN 15 21.135 4.068 18.770 128 HB2 ASN 15 HB2 ASN 15 18.437 3.186 17.669 129 HB3 ASN 15 HB1 ASN 15 19.112 2.668 19.210 130 HD21 ASN 15 HD21 ASN 15 16.614 4.108 18.618 131 HD22 ASN 15 HD22 ASN 15 16.678 5.564 19.544 132 H GLY 16 HN GLY 16 22.592 3.586 16.502 133 HA2 GLY 16 HA2 GLY 16 24.077 1.807 16.065 134 HA3 GLY 16 HA1 GLY 16 22.867 0.655 16.605 135 H LYS 17 HN LYS 17 20.826 2.095 14.846 136 HA LYS 17 HA LYS 17 21.393 0.657 12.381 137 HB2 LYS 17 HB2 LYS 17 19.234 0.100 12.966 138 HB3 LYS 17 HB1 LYS 17 18.941 1.599 13.838 139 HG2 LYS 17 HG2 LYS 17 18.607 2.770 11.747 140 HG3 LYS 17 HG1 LYS 17 18.938 1.303 10.819 141 HD2 LYS 17 HD2 LYS 17 16.567 1.518 10.876 142 HD3 LYS 17 HD1 LYS 17 16.956 0.242 12.017 143 HE2 LYS 17 HE2 LYS 17 16.659 1.798 13.889 144 HE3 LYS 17 HE1 LYS 17 16.352 3.123 12.763 145 HZ1 LYS 17 HZ1 LYS 17 14.694 0.667 12.935 146 HZ2 LYS 17 HZ2 LYS 17 14.373 2.053 12.018 147 HZ3 LYS 17 HZ3 LYS 17 14.326 2.127 13.703 148 H VAL 18 HN VAL 18 21.212 1.674 10.350 149 HA VAL 18 HA VAL 18 21.939 4.539 10.287 150 HB VAL 18 HB VAL 18 22.166 2.387 8.126 151 HG11 VAL 18 HG11 VAL 18 23.481 4.046 6.827 152 HG12 VAL 18 HG12 VAL 18 23.117 5.275 8.040 153 HG13 VAL 18 HG13 VAL 18 21.814 4.578 7.075 154 HG21 VAL 18 HG21 VAL 18 24.613 2.555 8.496 155 HG22 VAL 18 HG22 VAL 18 23.768 2.035 9.959 156 HG23 VAL 18 HG23 VAL 18 24.331 3.703 9.809 157 H GLU 19 HN GLU 19 20.558 6.041 9.394 158 HA GLU 19 HA GLU 19 18.407 5.094 7.594 159 HB2 GLU 19 HB2 GLU 19 18.247 7.639 9.264 160 HB3 GLU 19 HB1 GLU 19 16.988 6.947 8.248 161 HG2 GLU 19 HG2 GLU 19 17.028 4.937 9.833 162 HG3 GLU 19 HG1 GLU 19 18.017 5.923 10.909 163 H TYR 20 HN TYR 20 17.754 6.851 6.048 164 HA TYR 20 HA TYR 20 19.982 8.503 5.066 165 HB2 TYR 20 HB2 TYR 20 18.429 6.411 3.469 166 HB3 TYR 20 HB1 TYR 20 19.396 7.671 2.712 167 HD1 TYR 20 HD1 TYR 20 21.881 7.634 2.895 168 HD2 TYR 20 HD2 TYR 20 19.521 4.443 4.494 169 HE1 TYR 20 HE1 TYR 20 23.866 6.210 2.981 170 HE2 TYR 20 HE2 TYR 20 21.531 3.024 4.572 171 HH TYR 20 HH TYR 20 23.720 2.859 3.486 172 H PHE 21 HN PHE 21 19.225 10.289 3.760 173 HA PHE 21 HA PHE 21 16.414 11.011 4.146 174 HB2 PHE 21 HB2 PHE 21 18.347 12.626 4.657 175 HB3 PHE 21 HB1 PHE 21 18.633 12.723 2.922 176 HD1 PHE 21 HD1 PHE 21 15.222 12.538 4.395 177 HD2 PHE 21 HD2 PHE 21 18.239 15.122 2.806 178 HE1 PHE 21 HE1 PHE 21 13.602 14.372 4.286 179 HE2 PHE 21 HE2 PHE 21 16.598 16.952 2.689 180 HZ PHE 21 HZ PHE 21 14.280 16.580 3.430 181 H LEU 22 HN LEU 22 15.071 10.292 2.629 182 HA LEU 22 HA LEU 22 16.058 9.578 -0.028 183 HB2 LEU 22 HB2 LEU 22 13.570 8.856 1.546 184 HB3 LEU 22 HB1 LEU 22 13.630 8.597 -0.190 185 HG LEU 22 HG LEU 22 15.665 7.155 0.141 186 HD11 LEU 22 HD11 LEU 22 16.194 6.273 2.351 187 HD12 LEU 22 HD12 LEU 22 15.025 7.363 3.090 188 HD13 LEU 22 HD13 LEU 22 16.454 8.014 2.284 189 HD21 LEU 22 HD21 LEU 22 13.160 6.223 1.566 190 HD22 LEU 22 HD22 LEU 22 14.417 5.194 0.883 191 HD23 LEU 22 HD23 LEU 22 13.433 6.194 -0.176 192 H LYS 23 HN LYS 23 15.985 11.103 -1.525 193 HA LYS 23 HA LYS 23 13.882 13.055 -1.796 194 HB2 LYS 23 HB2 LYS 23 16.362 13.127 -2.766 195 HB3 LYS 23 HB1 LYS 23 15.706 12.172 -4.082 196 HG2 LYS 23 HG2 LYS 23 14.850 14.970 -3.260 197 HG3 LYS 23 HG1 LYS 23 15.811 14.539 -4.680 198 HD2 LYS 23 HD2 LYS 23 13.821 13.247 -5.544 199 HD3 LYS 23 HD1 LYS 23 12.884 13.844 -4.160 200 HE2 LYS 23 HE2 LYS 23 14.172 15.568 -6.311 201 HE3 LYS 23 HE1 LYS 23 12.454 15.179 -6.183 202 HZ1 LYS 23 HZ1 LYS 23 14.014 16.660 -4.134 203 HZ2 LYS 23 HZ2 LYS 23 12.359 16.342 -4.090 204 HZ3 LYS 23 HZ3 LYS 23 12.987 17.366 -5.274 205 H TRP 24 HN TRP 24 11.913 12.018 -1.940 206 HA TRP 24 HA TRP 24 11.474 9.552 -3.281 207 HB2 TRP 24 HB2 TRP 24 9.478 11.645 -2.335 208 HB3 TRP 24 HB1 TRP 24 9.054 10.026 -2.884 209 HD1 TRP 24 HD1 TRP 24 9.977 11.895 0.165 210 HE1 TRP 24 HE1 TRP 24 10.270 10.294 2.149 211 HE3 TRP 24 HE3 TRP 24 10.079 7.477 -2.372 212 HZ2 TRP 24 HZ2 TRP 24 10.506 7.543 2.584 213 HZ3 TRP 24 HZ3 TRP 24 10.334 5.391 -1.103 214 HH2 TRP 24 HH2 TRP 24 10.547 5.424 1.331 215 H LYS 25 HN LYS 25 10.748 9.094 -5.241 216 HA LYS 25 HA LYS 25 11.105 11.005 -7.360 217 HB2 LYS 25 HB2 LYS 25 11.911 8.613 -7.382 218 HB3 LYS 25 HB1 LYS 25 10.247 8.082 -7.454 219 HG2 LYS 25 HG2 LYS 25 9.958 8.868 -9.657 220 HG3 LYS 25 HG1 LYS 25 11.380 9.909 -9.567 221 HD2 LYS 25 HD2 LYS 25 11.763 7.905 -10.982 222 HD3 LYS 25 HD1 LYS 25 12.869 7.982 -9.609 223 HE2 LYS 25 HE2 LYS 25 11.472 6.320 -8.407 224 HE3 LYS 25 HE1 LYS 25 10.377 6.239 -9.791 225 HZ1 LYS 25 HZ1 LYS 25 13.261 5.537 -9.846 226 HZ2 LYS 25 HZ2 LYS 25 12.176 5.400 -11.135 227 HZ3 LYS 25 HZ3 LYS 25 11.989 4.436 -9.763 228 H GLY 26 HN GLY 26 9.518 12.226 -8.187 229 HA2 GLY 26 HA2 GLY 26 7.435 12.802 -9.047 230 HA3 GLY 26 HA1 GLY 26 6.760 11.305 -8.426 231 H PHE 27 HN PHE 27 8.438 12.677 -5.915 232 HA PHE 27 HA PHE 27 6.103 14.178 -4.859 233 HB2 PHE 27 HB2 PHE 27 8.088 12.463 -3.288 234 HB3 PHE 27 HB1 PHE 27 6.769 13.392 -2.586 235 HD1 PHE 27 HD2 PHE 27 4.372 12.705 -3.070 236 HD2 PHE 27 HD1 PHE 27 7.695 10.257 -4.193 237 HE1 PHE 27 HE2 PHE 27 2.876 10.763 -3.297 238 HE2 PHE 27 HE1 PHE 27 6.191 8.321 -4.417 239 HZ PHE 27 HZ PHE 27 3.781 8.573 -3.971 240 H THR 28 HN THR 28 6.592 15.921 -3.417 241 HA THR 28 HA THR 28 8.734 17.538 -4.463 242 HB THR 28 HB THR 28 6.455 18.465 -4.090 243 HG1 THR 28 HG1 THR 28 7.277 20.397 -3.683 244 HG21 THR 28 HG21 THR 28 7.114 18.265 -1.134 245 HG22 THR 28 HG22 THR 28 5.880 17.325 -1.980 246 HG23 THR 28 HG23 THR 28 5.709 19.076 -1.829 247 H ASP 29 HN ASP 29 10.114 18.893 -3.011 248 HA ASP 29 HA ASP 29 11.761 17.283 -1.352 249 HB2 ASP 29 HB2 ASP 29 11.731 20.253 -1.945 250 HB3 ASP 29 HB1 ASP 29 12.869 19.578 -0.784 251 H ALA 30 HN ALA 30 9.194 19.539 -0.638 252 HA ALA 30 HA ALA 30 9.569 19.783 2.169 253 HB1 ALA 30 HB1 ALA 30 7.276 20.681 2.183 254 HB2 ALA 30 HB2 ALA 30 7.017 20.079 0.541 255 HB3 ALA 30 HB3 ALA 30 8.203 21.352 0.840 256 H ASP 31 HN ASP 31 8.443 17.193 0.251 257 HA ASP 31 HA ASP 31 6.997 15.862 2.460 258 HB2 ASP 31 HB2 ASP 31 5.744 16.363 0.346 259 HB3 ASP 31 HB1 ASP 31 6.885 15.365 -0.545 260 H ASN 32 HN ASN 32 9.997 15.852 0.849 261 HA ASN 32 HA ASN 32 10.611 13.082 0.830 262 HB2 ASN 32 HB2 ASN 32 12.463 15.487 1.007 263 HB3 ASN 32 HB1 ASN 32 13.029 13.834 0.795 264 HD21 ASN 32 HD21 ASN 32 10.549 13.366 -1.011 265 HD22 ASN 32 HD22 ASN 32 11.020 14.066 -2.513 266 H THR 33 HN THR 33 11.424 11.698 2.400 267 HA THR 33 HA THR 33 11.573 12.719 5.188 268 HB THR 33 HB THR 33 10.348 10.653 5.949 269 HG1 THR 33 HG1 THR 33 10.199 9.137 4.483 270 HG21 THR 33 HG21 THR 33 8.746 12.355 4.015 271 HG22 THR 33 HG22 THR 33 9.077 12.760 5.701 272 HG23 THR 33 HG23 THR 33 8.075 11.358 5.310 273 H TRP 34 HN TRP 34 12.644 11.302 6.680 274 HA TRP 34 HA TRP 34 14.984 9.945 5.621 275 HB2 TRP 34 HB2 TRP 34 14.038 10.489 8.469 276 HB3 TRP 34 HB1 TRP 34 15.536 9.652 8.084 277 HD1 TRP 34 HD1 TRP 34 13.969 13.170 7.996 278 HE1 TRP 34 HE1 TRP 34 15.875 14.879 7.754 279 HE3 TRP 34 HE3 TRP 34 17.847 9.953 7.209 280 HZ2 TRP 34 HZ2 TRP 34 18.667 14.870 7.296 281 HZ3 TRP 34 HZ3 TRP 34 20.098 10.857 6.868 282 HH2 TRP 34 HH2 TRP 34 20.507 13.276 6.917 283 H GLU 35 HN GLU 35 14.988 7.819 5.187 284 HA GLU 35 HA GLU 35 13.227 5.993 6.722 285 HB2 GLU 35 HB2 GLU 35 14.124 5.680 3.833 286 HB3 GLU 35 HB1 GLU 35 13.252 4.456 4.748 287 HG2 GLU 35 HG2 GLU 35 12.261 7.143 3.794 288 HG3 GLU 35 HG1 GLU 35 11.676 5.544 3.347 289 HA PRO 36 HA PRO 36 17.072 3.967 7.924 290 HB2 PRO 36 HB2 PRO 36 15.974 1.560 8.737 291 HB3 PRO 36 HB1 PRO 36 16.006 3.027 9.722 292 HG2 PRO 36 HG2 PRO 36 13.765 1.900 8.071 293 HG3 PRO 36 HG1 PRO 36 13.710 2.638 9.685 294 HD2 PRO 36 HD2 PRO 36 12.992 3.997 7.443 295 HD3 PRO 36 HD1 PRO 36 13.741 4.808 8.833 296 H GLU 37 HN GLU 37 18.351 2.136 7.285 297 HA GLU 37 HA GLU 37 18.341 1.619 4.523 298 HB2 GLU 37 HB2 GLU 37 20.159 -0.158 5.203 299 HB3 GLU 37 HB1 GLU 37 20.487 1.549 5.418 300 HG2 GLU 37 HG2 GLU 37 21.292 0.178 7.306 301 HG3 GLU 37 HG1 GLU 37 20.134 1.402 7.799 302 H GLU 38 HN GLU 38 16.823 -0.044 7.133 303 HA GLU 38 HA GLU 38 16.376 -2.559 5.852 304 HB2 GLU 38 HB2 GLU 38 14.904 -3.044 7.749 305 HB3 GLU 38 HB1 GLU 38 16.381 -2.274 8.318 306 HG2 GLU 38 HG2 GLU 38 15.148 -0.114 8.475 307 HG3 GLU 38 HG1 GLU 38 13.670 -0.949 8.004 308 H ASN 39 HN ASN 39 14.778 0.541 5.709 309 HA ASN 39 HA ASN 39 12.310 -0.475 4.499 310 HB2 ASN 39 HB2 ASN 39 13.310 2.325 5.168 311 HB3 ASN 39 HB1 ASN 39 11.844 2.070 4.225 312 HD21 ASN 39 HD21 ASN 39 10.537 3.032 5.772 313 HD22 ASN 39 HD22 ASN 39 10.190 2.290 7.298 314 H LEU 40 HN LEU 40 15.439 0.383 3.419 315 HA LEU 40 HA LEU 40 14.754 1.545 0.887 316 HB2 LEU 40 HB2 LEU 40 17.375 0.288 1.781 317 HB3 LEU 40 HB1 LEU 40 17.153 1.254 0.323 318 HG LEU 40 HG LEU 40 16.993 2.206 3.209 319 HD11 LEU 40 HD11 LEU 40 18.904 2.936 0.967 320 HD12 LEU 40 HD12 LEU 40 19.266 1.951 2.390 321 HD13 LEU 40 HD13 LEU 40 18.871 3.654 2.580 322 HD21 LEU 40 HD21 LEU 40 16.537 4.457 2.342 323 HD22 LEU 40 HD22 LEU 40 15.233 3.339 1.966 324 HD23 LEU 40 HD23 LEU 40 16.379 3.813 0.707 325 H ASP 41 HN ASP 41 13.775 0.422 -0.689 326 HA ASP 41 HA ASP 41 14.621 -2.348 -1.331 327 HB2 ASP 41 HB2 ASP 41 12.160 -1.858 -1.094 328 HB3 ASP 41 HB1 ASP 41 12.280 -0.686 -2.394 329 H CYS 42 HN CYS 42 15.731 0.599 -1.799 330 HA CYS 42 HA CYS 42 16.351 0.480 -4.682 331 HB2 CYS 42 HB2 CYS 42 16.945 2.911 -4.321 332 HB3 CYS 42 HB1 CYS 42 15.261 2.534 -3.981 333 HG CYS 42 HG CYS 42 17.645 2.840 -1.540 334 HA PRO 43 HA PRO 43 20.278 -0.857 -2.614 335 HB2 PRO 43 HB2 PRO 43 21.162 -2.597 -4.518 336 HB3 PRO 43 HB1 PRO 43 19.877 -3.011 -3.376 337 HG2 PRO 43 HG2 PRO 43 19.668 -2.196 -6.255 338 HG3 PRO 43 HG1 PRO 43 18.722 -3.399 -5.362 339 HD2 PRO 43 HD2 PRO 43 17.872 -0.798 -5.938 340 HD3 PRO 43 HD1 PRO 43 17.203 -1.822 -4.650 341 H GLU 44 HN GLU 44 20.069 0.196 -6.031 342 HA GLU 44 HA GLU 44 22.885 0.711 -6.283 343 HB2 GLU 44 HB2 GLU 44 22.385 1.564 -8.508 344 HB3 GLU 44 HB1 GLU 44 21.519 0.057 -8.237 345 HG2 GLU 44 HG2 GLU 44 19.461 1.387 -7.752 346 HG3 GLU 44 HG1 GLU 44 20.351 2.853 -8.161 347 H LEU 45 HN LEU 45 20.164 2.595 -5.157 348 HA LEU 45 HA LEU 45 21.408 5.175 -5.408 349 HB2 LEU 45 HB2 LEU 45 19.150 4.264 -3.583 350 HB3 LEU 45 HB1 LEU 45 19.670 5.936 -3.764 351 HG LEU 45 HG LEU 45 18.369 4.198 -5.882 352 HD11 LEU 45 HD11 LEU 45 16.547 5.850 -5.770 353 HD12 LEU 45 HD12 LEU 45 17.384 6.687 -4.461 354 HD13 LEU 45 HD13 LEU 45 16.805 5.038 -4.228 355 HD21 LEU 45 HD21 LEU 45 19.470 7.011 -6.189 356 HD22 LEU 45 HD22 LEU 45 18.463 6.171 -7.373 357 HD23 LEU 45 HD23 LEU 45 20.062 5.548 -6.983 358 H ILE 46 HN ILE 46 21.469 2.635 -2.974 359 HA ILE 46 HA ILE 46 22.779 4.073 -0.883 360 HB ILE 46 HB ILE 46 23.021 1.084 -1.491 361 HG12 ILE 46 HG12 ILE 46 20.928 2.452 0.270 362 HG13 ILE 46 HG11 ILE 46 20.622 1.821 -1.345 363 HG21 ILE 46 HG21 ILE 46 23.481 0.833 0.933 364 HG22 ILE 46 HG22 ILE 46 23.395 2.583 1.137 365 HG23 ILE 46 HG23 ILE 46 24.677 1.875 0.154 366 HD11 ILE 46 HD11 ILE 46 21.427 0.194 1.067 367 HD12 ILE 46 HD12 ILE 46 21.116 -0.442 -0.553 368 HD13 ILE 46 HD13 ILE 46 19.813 0.311 0.365 369 H GLU 47 HN GLU 47 23.921 2.001 -3.531 370 HA GLU 47 HA GLU 47 26.705 2.290 -3.177 371 HB2 GLU 47 HB2 GLU 47 25.791 0.525 -4.614 372 HB3 GLU 47 HB1 GLU 47 25.087 1.725 -5.697 373 HG2 GLU 47 HG2 GLU 47 27.382 2.494 -6.288 374 HG3 GLU 47 HG1 GLU 47 28.047 1.234 -5.249 375 H ALA 48 HN ALA 48 24.352 4.168 -5.063 376 HA ALA 48 HA ALA 48 26.225 5.792 -6.467 377 HB1 ALA 48 HB1 ALA 48 23.288 6.354 -5.901 378 HB2 ALA 48 HB2 ALA 48 23.922 5.467 -7.288 379 HB3 ALA 48 HB3 ALA 48 24.289 7.182 -7.103 380 H PHE 49 HN PHE 49 24.529 6.137 -3.392 381 HA PHE 49 HA PHE 49 25.270 8.759 -2.657 382 HB2 PHE 49 HB2 PHE 49 23.560 7.625 -1.382 383 HB3 PHE 49 HB1 PHE 49 24.617 6.263 -1.033 384 HD1 PHE 49 HD1 PHE 49 24.250 9.939 -0.373 385 HD2 PHE 49 HD2 PHE 49 25.793 6.200 1.022 386 HE1 PHE 49 HE1 PHE 49 24.939 11.000 1.733 387 HE2 PHE 49 HE2 PHE 49 26.475 7.275 3.126 388 HZ PHE 49 HZ PHE 49 26.059 9.671 3.474 389 H LEU 50 HN LEU 50 26.903 5.630 -2.200 390 HA LEU 50 HA LEU 50 29.205 6.635 -0.811 391 HB2 LEU 50 HB2 LEU 50 28.804 4.030 -2.347 392 HB3 LEU 50 HB1 LEU 50 30.146 4.357 -1.255 393 HG LEU 50 HG LEU 50 27.214 4.206 -0.425 394 HD11 LEU 50 HD11 LEU 50 27.768 2.070 0.637 395 HD12 LEU 50 HD12 LEU 50 29.405 2.151 -0.021 396 HD13 LEU 50 HD13 LEU 50 28.020 2.014 -1.108 397 HD21 LEU 50 HD21 LEU 50 29.706 4.477 1.295 398 HD22 LEU 50 HD22 LEU 50 28.061 4.235 1.893 399 HD23 LEU 50 HD23 LEU 50 28.472 5.713 1.030 400 H ASN 51 HN ASN 51 28.336 6.194 -4.206 401 HA ASN 51 HA ASN 51 30.957 6.685 -5.329 402 HB2 ASN 51 HB2 ASN 51 28.199 6.735 -6.641 403 HB3 ASN 51 HB1 ASN 51 29.717 6.901 -7.520 404 HD21 ASN 51 HD21 ASN 51 27.701 4.873 -7.867 405 HD22 ASN 51 HD22 ASN 51 28.459 3.357 -7.550 406 H SER 52 HN SER 52 28.440 8.670 -4.077 407 HA SER 52 HA SER 52 29.305 11.136 -5.362 408 HB2 SER 52 HB2 SER 52 27.463 10.716 -2.959 409 HB3 SER 52 HB1 SER 52 27.656 12.219 -3.870 410 HG SER 52 HG SER 52 26.994 9.954 -5.339 411 H GLN 53 HN GLN 53 30.383 9.189 -2.776 412 HA GLN 53 HA GLN 53 31.756 11.339 -1.312 413 HB2 GLN 53 HB2 GLN 53 31.815 8.318 -0.844 414 HB3 GLN 53 HB1 GLN 53 32.464 9.556 0.235 415 HG2 GLN 53 HG2 GLN 53 30.200 10.390 0.659 416 HG3 GLN 53 HG1 GLN 53 29.538 9.207 -0.473 417 HE21 GLN 53 HE21 GLN 53 28.276 8.200 1.050 418 HE22 GLN 53 HE22 GLN 53 28.914 7.257 2.348 419 H LYS 54 HN LYS 54 32.491 8.338 -3.061 420 HA LYS 54 HA LYS 54 34.234 7.480 -4.150 421 HB2 LYS 54 HB2 LYS 54 35.250 10.332 -4.478 422 HB3 LYS 54 HB1 LYS 54 35.758 8.928 -5.420 423 HG2 LYS 54 HG2 LYS 54 33.483 8.713 -6.338 424 HG3 LYS 54 HG1 LYS 54 32.957 10.105 -5.381 425 HD2 LYS 54 HD2 LYS 54 34.654 11.497 -6.633 426 HD3 LYS 54 HD1 LYS 54 34.976 10.095 -7.662 427 HE2 LYS 54 HE2 LYS 54 32.318 11.542 -7.367 428 HE3 LYS 54 HE1 LYS 54 33.402 11.623 -8.757 429 HZ1 LYS 54 HZ1 LYS 54 31.575 10.117 -9.159 430 HZ2 LYS 54 HZ2 LYS 54 31.973 9.200 -7.800 431 HZ3 LYS 54 HZ3 LYS 54 33.027 9.253 -9.119 432 H1 ALA 1 HT1 ALA 1 16.693 0.543 -19.107 433 H2 ALA 1 HT2 ALA 1 17.187 -0.906 -18.392 434 H3 ALA 1 HT3 ALA 1 18.236 0.417 -18.431 435 HA ALA 1 HA ALA 1 17.294 0.119 -16.248 436 HB1 ALA 1 HB1 ALA 1 16.488 2.427 -15.915 437 HB2 ALA 1 HB2 ALA 1 16.279 2.609 -17.660 438 HB3 ALA 1 HB3 ALA 1 17.894 2.387 -16.985 439 H ARG 2 HN ARG 2 15.827 -1.549 -15.966 440 HA ARG 2 HA ARG 2 12.947 -0.964 -16.410 441 HB2 ARG 2 HB2 ARG 2 14.221 -3.641 -15.676 442 HB3 ARG 2 HB1 ARG 2 12.537 -3.366 -16.112 443 HG2 ARG 2 HG2 ARG 2 14.957 -3.176 -17.941 444 HG3 ARG 2 HG1 ARG 2 13.696 -4.413 -17.962 445 HD2 ARG 2 HD2 ARG 2 13.298 -1.466 -18.594 446 HD3 ARG 2 HD1 ARG 2 13.427 -2.760 -19.786 447 HE ARG 2 HE ARG 2 11.358 -3.693 -18.596 448 HH11 ARG 2 HH11 ARG 2 11.986 -0.242 -18.852 449 HH12 ARG 2 HH12 ARG 2 10.306 0.179 -18.924 450 HH21 ARG 2 HH21 ARG 2 9.180 -3.136 -18.713 451 HH22 ARG 2 HH22 ARG 2 8.707 -1.476 -18.864 452 H THR 3 HN THR 3 15.149 -0.369 -14.175 453 HA THR 3 HA THR 3 14.200 -1.641 -11.806 454 HB THR 3 HB THR 3 16.554 -1.080 -12.030 455 HG1 THR 3 HG1 THR 3 16.825 -0.172 -10.001 456 HG21 THR 3 HG21 THR 3 15.773 1.863 -12.010 457 HG22 THR 3 HG22 THR 3 16.413 0.982 -13.399 458 HG23 THR 3 HG23 THR 3 17.421 1.224 -11.970 459 H LYS 4 HN LYS 4 12.513 -1.080 -10.626 460 HA LYS 4 HA LYS 4 10.890 1.226 -11.064 461 HB2 LYS 4 HB2 LYS 4 9.939 -0.942 -10.359 462 HB3 LYS 4 HB1 LYS 4 10.834 -0.864 -8.851 463 HG2 LYS 4 HG2 LYS 4 8.453 -0.325 -8.534 464 HG3 LYS 4 HG1 LYS 4 9.496 1.026 -8.095 465 HD2 LYS 4 HD2 LYS 4 7.526 1.832 -9.312 466 HD3 LYS 4 HD1 LYS 4 8.989 2.137 -10.243 467 HE2 LYS 4 HE2 LYS 4 8.484 0.182 -11.668 468 HE3 LYS 4 HE1 LYS 4 7.020 -0.131 -10.730 469 HZ1 LYS 4 HZ1 LYS 4 7.586 2.302 -12.337 470 HZ2 LYS 4 HZ2 LYS 4 6.203 2.052 -11.398 471 HZ3 LYS 4 HZ3 LYS 4 6.505 1.064 -12.732 472 H GLN 5 HN GLN 5 13.253 0.262 -8.646 473 HA GLN 5 HA GLN 5 14.489 1.304 -7.104 474 HB2 GLN 5 HB2 GLN 5 14.828 2.797 -9.268 475 HB3 GLN 5 HB1 GLN 5 13.946 4.011 -8.352 476 HG2 GLN 5 HG2 GLN 5 16.341 4.341 -8.101 477 HG3 GLN 5 HG1 GLN 5 15.639 3.866 -6.552 478 HE21 GLN 5 HE21 GLN 5 16.336 1.652 -9.226 479 HE22 GLN 5 HE22 GLN 5 17.609 0.806 -8.431 480 H THR 6 HN THR 6 13.268 0.934 -5.275 481 HA THR 6 HA THR 6 11.030 2.774 -4.675 482 HB THR 6 HB THR 6 10.663 -0.164 -4.062 483 HG1 THR 6 HG1 THR 6 11.566 -0.111 -6.229 484 HG21 THR 6 HG21 THR 6 8.814 1.905 -5.314 485 HG22 THR 6 HG22 THR 6 8.865 1.485 -3.599 486 HG23 THR 6 HG23 THR 6 8.363 0.280 -4.787 487 H ALA 7 HN ALA 7 10.121 2.194 -2.411 488 HA ALA 7 HA ALA 7 11.721 1.005 -0.405 489 HB1 ALA 7 HB1 ALA 7 12.340 3.015 0.893 490 HB2 ALA 7 HB2 ALA 7 11.713 4.057 -0.389 491 HB3 ALA 7 HB3 ALA 7 13.121 3.036 -0.689 492 H ARG 8 HN ARG 8 10.780 1.519 1.773 493 HA ARG 8 HA ARG 8 7.852 1.976 1.652 494 HB2 ARG 8 HB2 ARG 8 8.569 -0.333 2.335 495 HB3 ARG 8 HB1 ARG 8 9.505 0.366 3.654 496 HG2 ARG 8 HG2 ARG 8 7.394 1.244 4.659 497 HG3 ARG 8 HG1 ARG 8 6.477 0.465 3.363 498 HD2 ARG 8 HD2 ARG 8 7.354 -1.741 4.110 499 HD3 ARG 8 HD1 ARG 8 8.224 -0.928 5.420 500 HE ARG 8 HE ARG 8 5.394 -0.383 5.414 501 HH11 ARG 8 HH11 ARG 8 7.858 -2.620 6.551 502 HH12 ARG 8 HH12 ARG 8 6.854 -3.256 7.808 503 HH21 ARG 8 HH21 ARG 8 4.114 -1.209 7.041 504 HH22 ARG 8 HH22 ARG 8 4.712 -2.467 8.071 505 H M3L 9 HN M3L 9 6.946 3.365 3.253 506 HA M3L 9 HA M3L 9 8.819 5.122 4.680 507 HB2 M3L 9 HB2 M3L 9 5.849 5.419 4.087 508 HB3 M3L 9 HB1 M3L 9 6.762 6.546 5.099 509 HG2 M3L 9 HG2 M3L 9 8.283 6.949 3.116 510 HG3 M3L 9 HG1 M3L 9 7.164 5.979 2.141 511 HD2 M3L 9 HD2 M3L 9 5.329 7.573 2.739 512 HD3 M3L 9 HD1 M3L 9 6.501 8.553 3.631 513 HE2 M3L 9 HE2 M3L 9 7.795 8.819 1.480 514 HE3 M3L 9 HE1 M3L 9 6.489 7.978 0.644 515 HM11 M3L 9 HH33 M3L 9 3.946 10.676 1.179 516 HM12 M3L 9 HH31 M3L 9 4.166 9.312 2.281 517 HM13 M3L 9 HH32 M3L 9 4.187 9.049 0.534 518 HM21 M3L 9 HH11 M3L 9 7.446 10.766 -0.056 519 HM22 M3L 9 HH12 M3L 9 5.862 11.526 -0.179 520 HM23 M3L 9 HH13 M3L 9 6.118 9.914 -0.848 521 HM31 M3L 9 HH21 M3L 9 5.854 11.876 2.315 522 HM32 M3L 9 HH22 M3L 9 7.429 11.090 2.453 523 HM33 M3L 9 HH23 M3L 9 6.063 10.498 3.404 524 H SER 10 HN SER 10 8.969 5.191 6.797 525 HA SER 10 HA SER 10 7.551 3.373 8.549 526 HB2 SER 10 HB2 SER 10 9.474 5.669 9.213 527 HB3 SER 10 HB1 SER 10 8.961 4.392 10.320 528 HG SER 10 HG SER 10 10.648 4.199 8.043 529 H THR 11 HN THR 11 5.405 3.999 8.313 530 HA THR 11 HA THR 11 4.435 6.656 8.190 531 HB THR 11 HB THR 11 2.164 5.490 8.515 532 HG1 THR 11 HG1 THR 11 3.506 3.613 9.606 533 HG21 THR 11 HG21 THR 11 3.090 5.861 6.250 534 HG22 THR 11 HG22 THR 11 2.234 4.321 6.334 535 HG23 THR 11 HG23 THR 11 3.998 4.350 6.367 536 H GLY 12 HN GLY 12 4.742 7.996 9.849 537 HA2 GLY 12 HA2 GLY 12 4.671 8.961 11.922 538 HA3 GLY 12 HA1 GLY 12 3.591 7.674 12.437 539 H GLY 13 HN GLY 13 6.787 7.067 11.110 540 HA2 GLY 13 HA2 GLY 13 8.740 6.269 12.026 541 HA3 GLY 13 HA1 GLY 13 8.136 6.662 13.627 542 H LYS 14 HN LYS 14 5.876 4.754 11.951 543 HA LYS 14 HA LYS 14 6.844 2.245 13.220 544 HB2 LYS 14 HB2 LYS 14 3.993 3.319 13.078 545 HB3 LYS 14 HB1 LYS 14 4.399 1.687 13.598 546 HG2 LYS 14 HG2 LYS 14 5.293 4.241 14.978 547 HG3 LYS 14 HG1 LYS 14 3.929 3.238 15.481 548 HD2 LYS 14 HD2 LYS 14 6.854 2.378 15.410 549 HD3 LYS 14 HD1 LYS 14 5.943 2.816 16.856 550 HE2 LYS 14 HE2 LYS 14 5.432 0.426 15.051 551 HE3 LYS 14 HE1 LYS 14 6.111 0.389 16.676 552 HZ1 LYS 14 HZ1 LYS 14 3.985 1.258 17.506 553 HZ2 LYS 14 HZ2 LYS 14 3.802 -0.228 16.722 554 HZ3 LYS 14 HZ3 LYS 14 3.346 1.201 15.946 555 H ALA 15 HN ALA 15 6.365 0.328 12.188 556 HA ALA 15 HA ALA 15 5.881 0.426 9.304 557 HB1 ALA 15 HB1 ALA 15 6.618 -1.936 9.350 558 HB2 ALA 15 HB2 ALA 15 6.692 -1.891 11.113 559 HB3 ALA 15 HB3 ALA 15 7.792 -0.896 10.156 Start of MODEL 15 1 H1 GLY 1 HT1 GLY 1 9.299 -1.936 -6.049 2 H2 GLY 1 HT2 GLY 1 7.869 -2.309 -5.237 3 H3 GLY 1 HT3 GLY 1 8.834 -1.024 -4.705 4 HA2 GLY 1 HA1 GLY 1 8.403 0.176 -6.754 5 HA3 GLY 1 HA2 GLY 1 7.404 -1.172 -7.296 6 H GLU 2 HN GLU 2 7.743 0.808 -4.312 7 HA GLU 2 HA GLU 2 4.800 1.082 -4.208 8 HB2 GLU 2 HB2 GLU 2 5.144 1.436 -1.679 9 HB3 GLU 2 HB1 GLU 2 5.263 -0.201 -2.297 10 HG2 GLU 2 HG2 GLU 2 7.686 1.530 -1.750 11 HG3 GLU 2 HG1 GLU 2 6.945 0.523 -0.517 12 H PHE 3 HN PHE 3 7.206 2.976 -2.329 13 HA PHE 3 HA PHE 3 6.209 5.433 -3.656 14 HB2 PHE 3 HB2 PHE 3 7.879 5.227 -1.103 15 HB3 PHE 3 HB1 PHE 3 7.045 6.650 -1.709 16 HD1 PHE 3 HD1 PHE 3 6.626 3.406 0.015 17 HD2 PHE 3 HD2 PHE 3 4.633 6.937 -1.325 18 HE1 PHE 3 HE1 PHE 3 4.678 2.838 1.408 19 HE2 PHE 3 HE2 PHE 3 2.689 6.361 0.064 20 HZ PHE 3 HZ PHE 3 2.708 4.312 1.428 21 H VAL 4 HN VAL 4 7.559 6.314 -5.216 22 HA VAL 4 HA VAL 4 10.155 5.069 -5.590 23 HB VAL 4 HB VAL 4 8.598 5.435 -7.522 24 HG11 VAL 4 HG11 VAL 4 9.352 8.372 -7.291 25 HG12 VAL 4 HG12 VAL 4 7.750 7.683 -7.028 26 HG13 VAL 4 HG13 VAL 4 8.471 7.638 -8.636 27 HG21 VAL 4 HG21 VAL 4 10.391 6.029 -9.130 28 HG22 VAL 4 HG22 VAL 4 10.973 4.933 -7.876 29 HG23 VAL 4 HG23 VAL 4 11.373 6.650 -7.799 30 H VAL 5 HN VAL 5 12.097 5.951 -5.384 31 HA VAL 5 HA VAL 5 12.356 8.731 -4.419 32 HB VAL 5 HB VAL 5 12.868 7.415 -2.521 33 HG11 VAL 5 HG11 VAL 5 12.956 5.193 -3.557 34 HG12 VAL 5 HG12 VAL 5 14.333 5.425 -2.478 35 HG13 VAL 5 HG13 VAL 5 14.551 5.545 -4.228 36 HG21 VAL 5 HG21 VAL 5 14.585 9.133 -2.909 37 HG22 VAL 5 HG22 VAL 5 15.553 7.986 -3.836 38 HG23 VAL 5 HG23 VAL 5 15.295 7.726 -2.111 39 H GLU 6 HN GLU 6 13.491 9.997 -5.674 40 HA GLU 6 HA GLU 6 14.780 9.418 -8.072 41 HB2 GLU 6 HB2 GLU 6 13.943 11.670 -7.440 42 HB3 GLU 6 HB1 GLU 6 15.179 11.793 -6.199 43 HG2 GLU 6 HG2 GLU 6 15.866 13.123 -8.073 44 HG3 GLU 6 HG1 GLU 6 16.929 11.720 -7.985 45 H LYS 7 HN LYS 7 16.197 10.132 -4.860 46 HA LYS 7 HA LYS 7 18.414 8.379 -5.135 47 HB2 LYS 7 HB2 LYS 7 20.244 10.034 -5.289 48 HB3 LYS 7 HB1 LYS 7 19.207 10.103 -6.710 49 HG2 LYS 7 HG2 LYS 7 18.063 12.107 -5.760 50 HG3 LYS 7 HG1 LYS 7 19.164 12.053 -4.381 51 HD2 LYS 7 HD2 LYS 7 19.943 13.719 -5.980 52 HD3 LYS 7 HD1 LYS 7 21.092 12.379 -5.922 53 HE2 LYS 7 HE2 LYS 7 20.071 11.455 -8.012 54 HE3 LYS 7 HE1 LYS 7 18.981 12.841 -8.076 55 HZ1 LYS 7 HZ1 LYS 7 21.939 12.919 -8.249 56 HZ2 LYS 7 HZ2 LYS 7 20.936 14.275 -8.230 57 HZ3 LYS 7 HZ3 LYS 7 20.847 13.181 -9.511 58 H VAL 8 HN VAL 8 19.889 8.527 -3.314 59 HA VAL 8 HA VAL 8 18.755 9.568 -0.860 60 HB VAL 8 HB VAL 8 21.472 8.281 -1.392 61 HG11 VAL 8 HG11 VAL 8 21.467 9.699 0.639 62 HG12 VAL 8 HG12 VAL 8 21.626 7.994 1.040 63 HG13 VAL 8 HG13 VAL 8 20.076 8.803 1.266 64 HG21 VAL 8 HG21 VAL 8 18.933 6.992 -0.288 65 HG22 VAL 8 HG22 VAL 8 20.504 6.203 -0.454 66 HG23 VAL 8 HG23 VAL 8 19.619 6.713 -1.893 67 H LEU 9 HN LEU 9 19.348 11.436 0.110 68 HA LEU 9 HA LEU 9 21.145 13.289 -1.321 69 HB2 LEU 9 HB2 LEU 9 19.005 13.835 0.775 70 HB3 LEU 9 HB1 LEU 9 20.009 15.068 0.016 71 HG LEU 9 HG LEU 9 17.947 13.319 -1.393 72 HD11 LEU 9 HD11 LEU 9 17.888 16.292 -0.788 73 HD12 LEU 9 HD12 LEU 9 16.905 15.038 -0.026 74 HD13 LEU 9 HD13 LEU 9 16.693 15.398 -1.734 75 HD21 LEU 9 HD21 LEU 9 19.821 13.756 -2.908 76 HD22 LEU 9 HD22 LEU 9 19.707 15.490 -2.593 77 HD23 LEU 9 HD23 LEU 9 18.388 14.649 -3.415 78 H ASP 10 HN ASP 10 20.539 11.804 1.841 79 HA ASP 10 HA ASP 10 23.216 12.439 2.762 80 HB2 ASP 10 HB2 ASP 10 21.800 14.496 3.281 81 HB3 ASP 10 HB1 ASP 10 20.818 13.490 4.340 82 H ARG 11 HN ARG 11 23.629 11.455 4.931 83 HA ARG 11 HA ARG 11 21.987 9.072 5.543 84 HB2 ARG 11 HB2 ARG 11 23.824 8.327 4.125 85 HB3 ARG 11 HB1 ARG 11 24.996 9.230 5.078 86 HG2 ARG 11 HG2 ARG 11 24.574 7.696 6.998 87 HG3 ARG 11 HG1 ARG 11 23.454 6.769 5.990 88 HD2 ARG 11 HD2 ARG 11 25.237 6.136 4.483 89 HD3 ARG 11 HD1 ARG 11 26.372 7.238 5.273 90 HE ARG 11 HE ARG 11 25.279 4.751 6.456 91 HH11 ARG 11 HH11 ARG 11 27.835 7.175 6.313 92 HH12 ARG 11 HH12 ARG 11 28.858 6.324 7.425 93 HH21 ARG 11 HH21 ARG 11 26.627 3.669 7.931 94 HH22 ARG 11 HH22 ARG 11 28.174 4.338 8.346 95 H ARG 12 HN ARG 12 21.937 8.542 7.717 96 HA ARG 12 HA ARG 12 23.693 9.867 9.648 97 HB2 ARG 12 HB2 ARG 12 21.961 10.782 11.002 98 HB3 ARG 12 HB1 ARG 12 21.528 11.249 9.364 99 HG2 ARG 12 HG2 ARG 12 19.888 9.353 9.302 100 HG3 ARG 12 HG1 ARG 12 20.272 9.009 10.993 101 HD2 ARG 12 HD2 ARG 12 19.005 11.545 9.880 102 HD3 ARG 12 HD1 ARG 12 18.229 10.321 10.893 103 HE ARG 12 HE ARG 12 20.481 11.396 12.233 104 HH11 ARG 12 HH11 ARG 12 17.193 12.279 11.378 105 HH12 ARG 12 HH12 ARG 12 17.047 13.416 12.674 106 HH21 ARG 12 HH21 ARG 12 20.273 12.913 13.891 107 HH22 ARG 12 HH22 ARG 12 18.789 13.788 14.080 108 H VAL 13 HN VAL 13 23.538 8.843 11.811 109 HA VAL 13 HA VAL 13 22.503 6.057 11.768 110 HB VAL 13 HB VAL 13 25.031 7.046 13.182 111 HG11 VAL 13 HG11 VAL 13 25.399 4.655 13.791 112 HG12 VAL 13 HG12 VAL 13 23.835 4.238 13.087 113 HG13 VAL 13 HG13 VAL 13 23.911 5.289 14.504 114 HG21 VAL 13 HG21 VAL 13 26.277 5.576 11.615 115 HG22 VAL 13 HG22 VAL 13 25.400 6.838 10.748 116 HG23 VAL 13 HG23 VAL 13 24.771 5.189 10.777 117 H VAL 14 HN VAL 14 20.732 6.091 12.999 118 HA VAL 14 HA VAL 14 20.663 7.534 15.591 119 HB VAL 14 HB VAL 14 18.341 6.691 13.783 120 HG11 VAL 14 HG11 VAL 14 17.659 6.524 16.145 121 HG12 VAL 14 HG12 VAL 14 16.855 7.892 15.377 122 HG13 VAL 14 HG13 VAL 14 18.228 8.167 16.452 123 HG21 VAL 14 HG21 VAL 14 19.377 9.481 14.438 124 HG22 VAL 14 HG22 VAL 14 17.969 9.110 13.439 125 HG23 VAL 14 HG23 VAL 14 19.580 8.636 12.900 126 H ASN 15 HN ASN 15 21.033 6.181 17.216 127 HA ASN 15 HA ASN 15 20.896 4.517 18.718 128 HB2 ASN 15 HB2 ASN 15 18.353 3.862 17.185 129 HB3 ASN 15 HB1 ASN 15 18.821 3.013 18.656 130 HD21 ASN 15 HD21 ASN 15 16.488 4.739 18.069 131 HD22 ASN 15 HD22 ASN 15 16.503 5.957 19.291 132 H GLY 16 HN GLY 16 22.446 4.153 16.281 133 HA2 GLY 16 HA2 GLY 16 23.956 2.475 15.656 134 HA3 GLY 16 HA1 GLY 16 22.953 1.273 16.455 135 H LYS 17 HN LYS 17 20.675 2.754 14.792 136 HA LYS 17 HA LYS 17 20.765 1.019 12.471 137 HB2 LYS 17 HB2 LYS 17 18.564 0.982 13.164 138 HB3 LYS 17 HB1 LYS 17 18.677 2.517 14.012 139 HG2 LYS 17 HG2 LYS 17 18.567 3.617 11.720 140 HG3 LYS 17 HG1 LYS 17 18.107 2.040 11.069 141 HD2 LYS 17 HD2 LYS 17 16.088 3.341 11.454 142 HD3 LYS 17 HD1 LYS 17 16.132 2.054 12.663 143 HE2 LYS 17 HE2 LYS 17 16.810 3.592 14.391 144 HE3 LYS 17 HE1 LYS 17 17.134 4.873 13.222 145 HZ1 LYS 17 HZ1 LYS 17 14.803 5.033 12.748 146 HZ2 LYS 17 HZ2 LYS 17 15.050 5.175 14.416 147 HZ3 LYS 17 HZ3 LYS 17 14.453 3.732 13.773 148 H VAL 18 HN VAL 18 20.775 1.854 10.356 149 HA VAL 18 HA VAL 18 21.843 4.603 10.049 150 HB VAL 18 HB VAL 18 22.206 2.209 8.185 151 HG11 VAL 18 HG11 VAL 18 23.789 3.682 6.939 152 HG12 VAL 18 HG12 VAL 18 23.338 5.033 7.978 153 HG13 VAL 18 HG13 VAL 18 22.139 4.311 6.902 154 HG21 VAL 18 HG21 VAL 18 23.538 1.955 10.242 155 HG22 VAL 18 HG22 VAL 18 24.211 3.574 10.033 156 HG23 VAL 18 HG23 VAL 18 24.598 2.302 8.872 157 H GLU 19 HN GLU 19 20.503 6.019 9.184 158 HA GLU 19 HA GLU 19 18.286 5.166 7.412 159 HB2 GLU 19 HB2 GLU 19 18.463 7.722 9.081 160 HB3 GLU 19 HB1 GLU 19 17.065 7.146 8.168 161 HG2 GLU 19 HG2 GLU 19 16.916 5.186 9.680 162 HG3 GLU 19 HG1 GLU 19 18.281 5.809 10.608 163 H TYR 20 HN TYR 20 17.778 6.600 5.676 164 HA TYR 20 HA TYR 20 19.945 8.332 4.670 165 HB2 TYR 20 HB2 TYR 20 18.469 6.147 3.120 166 HB3 TYR 20 HB1 TYR 20 19.495 7.355 2.376 167 HD1 TYR 20 HD2 TYR 20 19.496 4.266 4.431 168 HD2 TYR 20 HD1 TYR 20 21.947 7.223 2.563 169 HE1 TYR 20 HE2 TYR 20 21.475 2.828 4.716 170 HE2 TYR 20 HE1 TYR 20 23.904 5.789 2.839 171 HH TYR 20 HH TYR 20 23.705 2.536 3.662 172 H PHE 21 HN PHE 21 19.138 10.251 3.966 173 HA PHE 21 HA PHE 21 16.334 10.850 4.108 174 HB2 PHE 21 HB2 PHE 21 18.156 12.459 4.794 175 HB3 PHE 21 HB1 PHE 21 18.641 12.594 3.108 176 HD1 PHE 21 HD1 PHE 21 15.421 12.786 5.050 177 HD2 PHE 21 HD2 PHE 21 17.931 14.596 2.107 178 HE1 PHE 21 HE1 PHE 21 13.805 14.612 4.790 179 HE2 PHE 21 HE2 PHE 21 16.305 16.419 1.851 180 HZ PHE 21 HZ PHE 21 14.242 16.430 3.189 181 H LEU 22 HN LEU 22 15.054 10.187 2.524 182 HA LEU 22 HA LEU 22 16.081 9.687 -0.147 183 HB2 LEU 22 HB2 LEU 22 13.351 9.143 1.083 184 HB3 LEU 22 HB1 LEU 22 13.817 8.712 -0.557 185 HG LEU 22 HG LEU 22 14.729 7.478 2.057 186 HD11 LEU 22 HD11 LEU 22 14.086 5.400 0.881 187 HD12 LEU 22 HD12 LEU 22 13.598 6.345 -0.520 188 HD13 LEU 22 HD13 LEU 22 12.765 6.546 1.023 189 HD21 LEU 22 HD21 LEU 22 16.201 7.160 -0.594 190 HD22 LEU 22 HD22 LEU 22 16.456 6.168 0.844 191 HD23 LEU 22 HD23 LEU 22 16.837 7.886 0.885 192 H LYS 23 HN LYS 23 16.009 11.215 -1.630 193 HA LYS 23 HA LYS 23 14.069 13.322 -1.765 194 HB2 LYS 23 HB2 LYS 23 16.516 13.151 -2.849 195 HB3 LYS 23 HB1 LYS 23 15.687 12.336 -4.161 196 HG2 LYS 23 HG2 LYS 23 15.279 15.185 -3.199 197 HG3 LYS 23 HG1 LYS 23 16.016 14.671 -4.718 198 HD2 LYS 23 HD2 LYS 23 13.782 13.742 -5.412 199 HD3 LYS 23 HD1 LYS 23 13.085 14.388 -3.915 200 HE2 LYS 23 HE2 LYS 23 14.345 15.995 -6.172 201 HE3 LYS 23 HE1 LYS 23 12.632 15.921 -5.754 202 HZ1 LYS 23 HZ1 LYS 23 13.181 16.941 -3.597 203 HZ2 LYS 23 HZ2 LYS 23 13.605 17.925 -4.899 204 HZ3 LYS 23 HZ3 LYS 23 14.801 17.070 -4.071 205 H TRP 24 HN TRP 24 12.016 12.227 -1.691 206 HA TRP 24 HA TRP 24 11.301 10.049 -3.359 207 HB2 TRP 24 HB2 TRP 24 9.499 12.172 -2.131 208 HB3 TRP 24 HB1 TRP 24 8.944 10.668 -2.848 209 HD1 TRP 24 HD1 TRP 24 9.758 12.108 0.388 210 HE1 TRP 24 HE1 TRP 24 9.937 10.318 2.195 211 HE3 TRP 24 HE3 TRP 24 10.096 7.967 -2.585 212 HZ2 TRP 24 HZ2 TRP 24 10.176 7.540 2.383 213 HZ3 TRP 24 HZ3 TRP 24 10.294 5.767 -1.501 214 HH2 TRP 24 HH2 TRP 24 10.338 5.557 0.935 215 H LYS 25 HN LYS 25 11.088 10.043 -5.518 216 HA LYS 25 HA LYS 25 11.410 12.413 -7.083 217 HB2 LYS 25 HB2 LYS 25 12.360 10.213 -7.737 218 HB3 LYS 25 HB1 LYS 25 10.735 9.571 -7.952 219 HG2 LYS 25 HG2 LYS 25 10.332 11.063 -9.827 220 HG3 LYS 25 HG1 LYS 25 11.854 11.906 -9.538 221 HD2 LYS 25 HD2 LYS 25 12.052 10.396 -11.454 222 HD3 LYS 25 HD1 LYS 25 13.116 9.883 -10.143 223 HE2 LYS 25 HE2 LYS 25 11.521 8.115 -9.525 224 HE3 LYS 25 HE1 LYS 25 10.408 8.650 -10.788 225 HZ1 LYS 25 HZ1 LYS 25 12.047 8.079 -12.438 226 HZ2 LYS 25 HZ2 LYS 25 11.732 6.740 -11.456 227 HZ3 LYS 25 HZ3 LYS 25 13.156 7.625 -11.248 228 H GLY 26 HN GLY 26 8.687 10.224 -6.420 229 HA2 GLY 26 HA2 GLY 26 6.853 11.684 -8.177 230 HA3 GLY 26 HA1 GLY 26 6.536 10.184 -7.325 231 H PHE 27 HN PHE 27 7.919 12.581 -5.310 232 HA PHE 27 HA PHE 27 5.325 13.655 -4.378 233 HB2 PHE 27 HB2 PHE 27 7.465 12.453 -2.556 234 HB3 PHE 27 HB1 PHE 27 6.023 13.296 -2.003 235 HD1 PHE 27 HD1 PHE 27 3.803 12.236 -2.169 236 HD2 PHE 27 HD2 PHE 27 7.327 10.140 -3.391 237 HE1 PHE 27 HE1 PHE 27 2.564 10.109 -2.122 238 HE2 PHE 27 HE2 PHE 27 6.076 8.025 -3.340 239 HZ PHE 27 HZ PHE 27 3.701 8.011 -2.705 240 H THR 28 HN THR 28 5.613 15.559 -2.960 241 HA THR 28 HA THR 28 7.413 17.447 -4.090 242 HB THR 28 HB THR 28 6.489 18.983 -2.225 243 HG1 THR 28 HG1 THR 28 5.880 16.921 -0.989 244 HG21 THR 28 HG21 THR 28 4.466 17.617 -4.053 245 HG22 THR 28 HG22 THR 28 5.499 18.979 -4.497 246 HG23 THR 28 HG23 THR 28 4.250 19.181 -3.266 247 H ASP 29 HN ASP 29 8.850 18.853 -2.853 248 HA ASP 29 HA ASP 29 10.969 17.312 -1.784 249 HB2 ASP 29 HB2 ASP 29 11.184 19.492 -3.096 250 HB3 ASP 29 HB1 ASP 29 10.688 20.342 -1.639 251 H ALA 30 HN ALA 30 8.571 19.451 -0.303 252 HA ALA 30 HA ALA 30 9.553 19.455 2.356 253 HB1 ALA 30 HB1 ALA 30 7.303 20.259 2.966 254 HB2 ALA 30 HB2 ALA 30 6.702 19.818 1.363 255 HB3 ALA 30 HB3 ALA 30 7.914 21.090 1.537 256 H ASP 31 HN ASP 31 7.971 17.005 0.536 257 HA ASP 31 HA ASP 31 7.044 15.478 2.873 258 HB2 ASP 31 HB2 ASP 31 5.598 15.895 0.783 259 HB3 ASP 31 HB1 ASP 31 6.680 14.811 -0.082 260 H ASN 32 HN ASN 32 9.875 15.790 1.075 261 HA ASN 32 HA ASN 32 10.872 13.137 0.957 262 HB2 ASN 32 HB2 ASN 32 12.285 15.821 1.160 263 HB3 ASN 32 HB1 ASN 32 13.158 14.306 0.976 264 HD21 ASN 32 HD21 ASN 32 10.157 14.436 -0.769 265 HD22 ASN 32 HD22 ASN 32 10.850 14.754 -2.312 266 H THR 33 HN THR 33 11.789 11.809 2.491 267 HA THR 33 HA THR 33 12.035 12.771 5.277 268 HB THR 33 HB THR 33 10.669 10.724 6.040 269 HG1 THR 33 HG1 THR 33 10.530 9.537 4.176 270 HG21 THR 33 HG21 THR 33 9.694 12.990 6.183 271 HG22 THR 33 HG22 THR 33 8.460 11.797 5.761 272 HG23 THR 33 HG23 THR 33 9.132 12.856 4.516 273 H TRP 34 HN TRP 34 13.073 11.283 6.719 274 HA TRP 34 HA TRP 34 15.285 9.797 5.586 275 HB2 TRP 34 HB2 TRP 34 14.425 10.325 8.465 276 HB3 TRP 34 HB1 TRP 34 15.849 9.383 8.044 277 HD1 TRP 34 HD1 TRP 34 14.577 13.014 8.102 278 HE1 TRP 34 HE1 TRP 34 16.618 14.564 7.860 279 HE3 TRP 34 HE3 TRP 34 18.127 9.502 7.048 280 HZ2 TRP 34 HZ2 TRP 34 19.379 14.319 7.286 281 HZ3 TRP 34 HZ3 TRP 34 20.434 10.230 6.652 282 HH2 TRP 34 HH2 TRP 34 21.054 12.593 6.769 283 H GLU 35 HN GLU 35 15.187 7.653 5.082 284 HA GLU 35 HA GLU 35 13.355 5.859 6.576 285 HB2 GLU 35 HB2 GLU 35 14.183 5.606 3.655 286 HB3 GLU 35 HB1 GLU 35 13.086 4.532 4.519 287 HG2 GLU 35 HG2 GLU 35 12.621 7.382 3.621 288 HG3 GLU 35 HG1 GLU 35 11.759 5.927 3.130 289 HA PRO 36 HA PRO 36 17.219 3.702 7.562 290 HB2 PRO 36 HB2 PRO 36 16.198 1.423 8.673 291 HB3 PRO 36 HB1 PRO 36 16.141 2.990 9.495 292 HG2 PRO 36 HG2 PRO 36 13.977 1.603 7.918 293 HG3 PRO 36 HG1 PRO 36 13.863 2.421 9.490 294 HD2 PRO 36 HD2 PRO 36 13.111 3.626 7.152 295 HD3 PRO 36 HD1 PRO 36 13.771 4.544 8.524 296 H GLU 37 HN GLU 37 18.458 1.896 6.848 297 HA GLU 37 HA GLU 37 18.223 1.321 4.123 298 HB2 GLU 37 HB2 GLU 37 20.138 -0.376 4.616 299 HB3 GLU 37 HB1 GLU 37 20.425 1.327 4.908 300 HG2 GLU 37 HG2 GLU 37 21.406 0.018 6.694 301 HG3 GLU 37 HG1 GLU 37 20.081 0.989 7.326 302 H GLU 38 HN GLU 38 17.024 -0.490 6.828 303 HA GLU 38 HA GLU 38 16.567 -3.006 5.581 304 HB2 GLU 38 HB2 GLU 38 15.061 -3.415 7.542 305 HB3 GLU 38 HB1 GLU 38 16.621 -2.750 8.021 306 HG2 GLU 38 HG2 GLU 38 15.639 -0.523 8.298 307 HG3 GLU 38 HG1 GLU 38 14.080 -1.114 7.732 308 H ASN 39 HN ASN 39 14.719 -0.051 5.876 309 HA ASN 39 HA ASN 39 12.210 -1.012 4.834 310 HB2 ASN 39 HB2 ASN 39 12.362 0.783 6.527 311 HB3 ASN 39 HB1 ASN 39 13.310 1.774 5.426 312 HD21 ASN 39 HD21 ASN 39 11.929 3.479 5.384 313 HD22 ASN 39 HD22 ASN 39 10.359 3.427 4.683 314 H LEU 40 HN LEU 40 15.150 0.272 3.553 315 HA LEU 40 HA LEU 40 14.127 1.346 1.097 316 HB2 LEU 40 HB2 LEU 40 16.995 0.604 1.807 317 HB3 LEU 40 HB1 LEU 40 16.484 1.614 0.455 318 HG LEU 40 HG LEU 40 16.270 2.284 3.412 319 HD11 LEU 40 HD11 LEU 40 17.892 3.598 1.229 320 HD12 LEU 40 HD12 LEU 40 18.509 2.586 2.539 321 HD13 LEU 40 HD13 LEU 40 17.766 4.139 2.906 322 HD21 LEU 40 HD21 LEU 40 15.228 3.873 1.062 323 HD22 LEU 40 HD22 LEU 40 15.349 4.465 2.723 324 HD23 LEU 40 HD23 LEU 40 14.279 3.120 2.346 325 H ASP 41 HN ASP 41 13.952 0.427 -0.842 326 HA ASP 41 HA ASP 41 14.661 -2.440 -1.200 327 HB2 ASP 41 HB2 ASP 41 12.187 -1.744 -1.258 328 HB3 ASP 41 HB1 ASP 41 12.545 -0.830 -2.720 329 H CYS 42 HN CYS 42 16.098 0.323 -1.692 330 HA CYS 42 HA CYS 42 16.820 -0.038 -4.551 331 HB2 CYS 42 HB2 CYS 42 17.348 2.423 -4.483 332 HB3 CYS 42 HB1 CYS 42 15.651 2.059 -4.200 333 HG CYS 42 HG CYS 42 17.873 2.757 -1.684 334 HA PRO 43 HA PRO 43 20.896 -0.807 -2.412 335 HB2 PRO 43 HB2 PRO 43 21.775 -2.751 -4.123 336 HB3 PRO 43 HB1 PRO 43 20.710 -3.109 -2.754 337 HG2 PRO 43 HG2 PRO 43 20.001 -2.722 -5.662 338 HG3 PRO 43 HG1 PRO 43 19.438 -3.974 -4.533 339 HD2 PRO 43 HD2 PRO 43 17.945 -1.766 -5.141 340 HD3 PRO 43 HD1 PRO 43 17.866 -2.558 -3.548 341 H GLU 44 HN GLU 44 19.901 -0.200 -5.720 342 HA GLU 44 HA GLU 44 22.250 0.547 -7.020 343 HB2 GLU 44 HB2 GLU 44 20.114 0.269 -8.200 344 HB3 GLU 44 HB1 GLU 44 19.395 1.596 -7.302 345 HG2 GLU 44 HG2 GLU 44 19.873 2.303 -9.562 346 HG3 GLU 44 HG1 GLU 44 20.901 3.190 -8.437 347 H LEU 45 HN LEU 45 19.948 2.570 -5.197 348 HA LEU 45 HA LEU 45 21.343 5.026 -5.575 349 HB2 LEU 45 HB2 LEU 45 19.131 4.269 -3.642 350 HB3 LEU 45 HB1 LEU 45 19.744 5.913 -3.818 351 HG LEU 45 HG LEU 45 18.305 4.264 -5.935 352 HD11 LEU 45 HD11 LEU 45 16.569 6.001 -5.758 353 HD12 LEU 45 HD12 LEU 45 17.460 6.758 -4.434 354 HD13 LEU 45 HD13 LEU 45 16.810 5.128 -4.246 355 HD21 LEU 45 HD21 LEU 45 20.037 5.580 -7.045 356 HD22 LEU 45 HD22 LEU 45 19.505 7.047 -6.221 357 HD23 LEU 45 HD23 LEU 45 18.447 6.260 -7.394 358 H ILE 46 HN ILE 46 21.398 2.607 -2.999 359 HA ILE 46 HA ILE 46 22.853 4.150 -1.082 360 HB ILE 46 HB ILE 46 22.692 1.106 -1.355 361 HG12 ILE 46 HG12 ILE 46 20.453 2.115 -1.144 362 HG13 ILE 46 HG11 ILE 46 20.861 1.274 0.340 363 HG21 ILE 46 HG21 ILE 46 23.290 1.044 1.066 364 HG22 ILE 46 HG22 ILE 46 23.530 2.793 1.050 365 HG23 ILE 46 HG23 ILE 46 24.579 1.751 0.088 366 HD11 ILE 46 HD11 ILE 46 19.755 3.385 0.761 367 HD12 ILE 46 HD12 ILE 46 21.020 4.255 -0.094 368 HD13 ILE 46 HD13 ILE 46 21.390 3.401 1.408 369 H GLU 47 HN GLU 47 23.819 1.746 -3.501 370 HA GLU 47 HA GLU 47 26.587 1.664 -3.085 371 HB2 GLU 47 HB2 GLU 47 25.331 0.076 -4.543 372 HB3 GLU 47 HB1 GLU 47 25.034 1.364 -5.700 373 HG2 GLU 47 HG2 GLU 47 26.804 -0.014 -6.547 374 HG3 GLU 47 HG1 GLU 47 27.493 1.540 -6.088 375 H ALA 48 HN ALA 48 24.703 3.571 -5.395 376 HA ALA 48 HA ALA 48 26.763 5.011 -6.613 377 HB1 ALA 48 HB1 ALA 48 23.849 5.809 -6.277 378 HB2 ALA 48 HB2 ALA 48 24.503 4.803 -7.569 379 HB3 ALA 48 HB3 ALA 48 24.983 6.496 -7.453 380 H PHE 49 HN PHE 49 24.664 5.898 -3.885 381 HA PHE 49 HA PHE 49 25.529 8.550 -3.488 382 HB2 PHE 49 HB2 PHE 49 23.437 7.816 -2.540 383 HB3 PHE 49 HB1 PHE 49 24.221 6.539 -1.617 384 HD1 PHE 49 HD1 PHE 49 24.327 10.289 -1.973 385 HD2 PHE 49 HD2 PHE 49 24.567 6.928 0.668 386 HE1 PHE 49 HE1 PHE 49 24.494 11.803 -0.047 387 HE2 PHE 49 HE2 PHE 49 24.733 8.456 2.580 388 HZ PHE 49 HZ PHE 49 24.694 10.891 2.230 389 H LEU 50 HN LEU 50 26.511 5.552 -1.778 390 HA LEU 50 HA LEU 50 28.334 6.729 0.037 391 HB2 LEU 50 HB2 LEU 50 28.208 3.888 -1.034 392 HB3 LEU 50 HB1 LEU 50 29.230 4.377 0.305 393 HG LEU 50 HG LEU 50 26.179 4.439 0.291 394 HD11 LEU 50 HD11 LEU 50 26.310 2.592 1.889 395 HD12 LEU 50 HD12 LEU 50 28.070 2.566 1.744 396 HD13 LEU 50 HD13 LEU 50 27.060 2.164 0.352 397 HD21 LEU 50 HD21 LEU 50 26.331 4.984 2.692 398 HD22 LEU 50 HD22 LEU 50 27.052 6.243 1.696 399 HD23 LEU 50 HD23 LEU 50 28.089 5.107 2.561 400 H ASN 51 HN ASN 51 28.740 5.556 -3.262 401 HA ASN 51 HA ASN 51 31.608 5.781 -3.348 402 HB2 ASN 51 HB2 ASN 51 29.533 5.452 -5.551 403 HB3 ASN 51 HB1 ASN 51 31.267 5.509 -5.866 404 HD21 ASN 51 HD21 ASN 51 29.439 3.326 -6.390 405 HD22 ASN 51 HD22 ASN 51 30.009 1.966 -5.499 406 H SER 52 HN SER 52 28.899 7.883 -4.234 407 HA SER 52 HA SER 52 30.400 9.884 -5.619 408 HB2 SER 52 HB2 SER 52 27.635 10.035 -4.342 409 HB3 SER 52 HB1 SER 52 28.311 11.254 -5.426 410 HG SER 52 HG SER 52 27.010 9.051 -6.058 411 H GLN 53 HN GLN 53 29.995 9.224 -2.256 412 HA GLN 53 HA GLN 53 30.471 11.813 -1.162 413 HB2 GLN 53 HB2 GLN 53 31.080 9.051 -0.026 414 HB3 GLN 53 HB1 GLN 53 31.151 10.550 0.901 415 HG2 GLN 53 HG2 GLN 53 28.740 10.893 0.565 416 HG3 GLN 53 HG1 GLN 53 28.660 9.440 -0.429 417 HE21 GLN 53 HE21 GLN 53 27.165 8.488 0.899 418 HE22 GLN 53 HE22 GLN 53 27.533 7.888 2.477 419 H LYS 54 HN LYS 54 32.587 9.374 -2.512 420 HA LYS 54 HA LYS 54 35.027 10.815 -1.757 421 HB2 LYS 54 HB2 LYS 54 34.660 8.303 -3.456 422 HB3 LYS 54 HB1 LYS 54 36.203 8.952 -2.889 423 HG2 LYS 54 HG2 LYS 54 35.456 8.561 -0.534 424 HG3 LYS 54 HG1 LYS 54 33.964 7.839 -1.151 425 HD2 LYS 54 HD2 LYS 54 36.800 6.795 -1.562 426 HD3 LYS 54 HD1 LYS 54 35.566 6.096 -0.510 427 HE2 LYS 54 HE2 LYS 54 35.514 6.225 -3.545 428 HE3 LYS 54 HE1 LYS 54 35.721 4.786 -2.544 429 HZ1 LYS 54 HZ1 LYS 54 33.474 5.183 -1.665 430 HZ2 LYS 54 HZ2 LYS 54 33.484 4.900 -3.332 431 HZ3 LYS 54 HZ3 LYS 54 33.288 6.474 -2.742 432 H1 ALA 1 HT1 ALA 1 19.654 1.961 -15.665 433 H2 ALA 1 HT2 ALA 1 20.291 2.191 -17.211 434 H3 ALA 1 HT3 ALA 1 19.267 0.881 -16.902 435 HA ALA 1 HA ALA 1 18.511 3.748 -16.795 436 HB1 ALA 1 HB1 ALA 1 18.861 2.949 -19.106 437 HB2 ALA 1 HB2 ALA 1 17.155 3.283 -18.804 438 HB3 ALA 1 HB3 ALA 1 17.739 1.615 -18.823 439 H ARG 2 HN ARG 2 17.166 0.450 -17.013 440 HA ARG 2 HA ARG 2 14.726 1.139 -15.632 441 HB2 ARG 2 HB2 ARG 2 15.781 -1.597 -16.479 442 HB3 ARG 2 HB1 ARG 2 14.133 -1.232 -15.959 443 HG2 ARG 2 HG2 ARG 2 13.833 0.224 -17.946 444 HG3 ARG 2 HG1 ARG 2 15.483 -0.142 -18.464 445 HD2 ARG 2 HD2 ARG 2 13.188 -2.121 -18.207 446 HD3 ARG 2 HD1 ARG 2 13.864 -1.488 -19.714 447 HE ARG 2 HE ARG 2 15.841 -2.773 -18.089 448 HH11 ARG 2 HH11 ARG 2 13.341 -3.440 -20.452 449 HH12 ARG 2 HH12 ARG 2 14.007 -4.981 -20.880 450 HH21 ARG 2 HH21 ARG 2 16.685 -4.783 -18.634 451 HH22 ARG 2 HH22 ARG 2 15.896 -5.752 -19.841 452 H THR 3 HN THR 3 15.570 1.891 -13.649 453 HA THR 3 HA THR 3 16.816 -0.070 -11.815 454 HB THR 3 HB THR 3 17.421 2.056 -10.482 455 HG1 THR 3 HG1 THR 3 17.280 4.009 -11.607 456 HG21 THR 3 HG21 THR 3 19.129 0.912 -11.886 457 HG22 THR 3 HG22 THR 3 19.342 2.665 -11.907 458 HG23 THR 3 HG23 THR 3 18.596 1.850 -13.284 459 H LYS 4 HN LYS 4 15.448 -0.931 -10.397 460 HA LYS 4 HA LYS 4 12.860 0.236 -9.742 461 HB2 LYS 4 HB2 LYS 4 14.198 -2.316 -8.741 462 HB3 LYS 4 HB1 LYS 4 12.517 -1.863 -8.459 463 HG2 LYS 4 HG2 LYS 4 12.010 -2.067 -10.837 464 HG3 LYS 4 HG1 LYS 4 13.711 -2.366 -11.214 465 HD2 LYS 4 HD2 LYS 4 11.906 -4.177 -9.550 466 HD3 LYS 4 HD1 LYS 4 12.393 -4.458 -11.225 467 HE2 LYS 4 HE2 LYS 4 14.733 -4.689 -10.544 468 HE3 LYS 4 HE1 LYS 4 14.315 -4.292 -8.873 469 HZ1 LYS 4 HZ1 LYS 4 14.566 -6.659 -9.230 470 HZ2 LYS 4 HZ2 LYS 4 13.323 -6.643 -10.371 471 HZ3 LYS 4 HZ3 LYS 4 12.992 -6.279 -8.755 472 H GLN 5 HN GLN 5 13.924 2.149 -8.809 473 HA GLN 5 HA GLN 5 15.186 1.788 -6.177 474 HB2 GLN 5 HB2 GLN 5 15.869 4.220 -6.518 475 HB3 GLN 5 HB1 GLN 5 16.627 3.026 -7.564 476 HG2 GLN 5 HG2 GLN 5 15.055 3.672 -9.375 477 HG3 GLN 5 HG1 GLN 5 14.391 4.926 -8.325 478 HE21 GLN 5 HE21 GLN 5 15.646 6.737 -7.873 479 HE22 GLN 5 HE22 GLN 5 17.056 7.153 -8.773 480 H THR 6 HN THR 6 13.336 1.344 -5.064 481 HA THR 6 HA THR 6 11.556 3.615 -4.403 482 HB THR 6 HB THR 6 9.659 1.931 -4.204 483 HG1 THR 6 HG1 THR 6 10.871 0.012 -4.125 484 HG21 THR 6 HG21 THR 6 9.161 1.778 -6.626 485 HG22 THR 6 HG22 THR 6 10.828 2.219 -7.000 486 HG23 THR 6 HG23 THR 6 9.768 3.373 -6.193 487 H ALA 7 HN ALA 7 10.266 2.980 -2.359 488 HA ALA 7 HA ALA 7 11.320 1.105 -0.470 489 HB1 ALA 7 HB1 ALA 7 12.154 2.724 1.200 490 HB2 ALA 7 HB2 ALA 7 11.864 4.056 0.072 491 HB3 ALA 7 HB3 ALA 7 13.089 2.838 -0.292 492 H ARG 8 HN ARG 8 10.117 1.207 1.588 493 HA ARG 8 HA ARG 8 7.399 2.323 1.322 494 HB2 ARG 8 HB2 ARG 8 8.359 0.580 3.648 495 HB3 ARG 8 HB1 ARG 8 6.712 0.864 3.115 496 HG2 ARG 8 HG2 ARG 8 7.096 -1.332 2.400 497 HG3 ARG 8 HG1 ARG 8 7.429 -0.403 0.939 498 HD2 ARG 8 HD2 ARG 8 9.890 -0.444 1.652 499 HD3 ARG 8 HD1 ARG 8 9.415 -1.655 2.850 500 HE ARG 8 HE ARG 8 8.452 -2.577 0.428 501 HH11 ARG 8 HH11 ARG 8 11.614 -1.746 1.694 502 HH12 ARG 8 HH12 ARG 8 12.446 -2.884 0.691 503 HH21 ARG 8 HH21 ARG 8 9.560 -4.062 -0.885 504 HH22 ARG 8 HH22 ARG 8 11.285 -4.194 -0.778 505 H M3L 9 HN M3L 9 6.820 2.779 4.090 506 HA M3L 9 HA M3L 9 8.784 4.863 4.834 507 HB2 M3L 9 HB2 M3L 9 5.770 5.196 4.897 508 HB3 M3L 9 HB1 M3L 9 6.935 6.350 5.556 509 HG2 M3L 9 HG2 M3L 9 7.960 6.428 3.212 510 HG3 M3L 9 HG1 M3L 9 6.513 5.571 2.655 511 HD2 M3L 9 HD2 M3L 9 5.096 7.427 3.428 512 HD3 M3L 9 HD1 M3L 9 6.509 8.250 4.105 513 HE2 M3L 9 HE2 M3L 9 7.474 8.184 1.704 514 HE3 M3L 9 HE1 M3L 9 5.838 7.747 1.193 515 HM11 M3L 9 HH33 M3L 9 7.927 10.427 2.734 516 HM12 M3L 9 HH31 M3L 9 6.684 10.176 3.959 517 HM13 M3L 9 HH32 M3L 9 6.627 11.604 2.921 518 HM21 M3L 9 HH11 M3L 9 6.058 11.363 0.484 519 HM22 M3L 9 HH12 M3L 9 5.711 9.778 -0.204 520 HM23 M3L 9 HH13 M3L 9 7.357 10.184 0.289 521 HM31 M3L 9 HH21 M3L 9 3.929 9.404 1.535 522 HM32 M3L 9 HH22 M3L 9 4.265 10.991 2.233 523 HM33 M3L 9 HH23 M3L 9 4.320 9.548 3.250 524 H SER 10 HN SER 10 9.753 3.960 6.441 525 HA SER 10 HA SER 10 10.334 3.408 8.506 526 HB2 SER 10 HB2 SER 10 8.749 5.148 9.314 527 HB3 SER 10 HB1 SER 10 7.458 3.950 9.353 528 HG SER 10 HG SER 10 8.242 3.157 11.153 529 H THR 11 HN THR 11 7.047 2.112 8.148 530 HA THR 11 HA THR 11 7.658 -0.493 9.152 531 HB THR 11 HB THR 11 5.261 -0.951 8.486 532 HG1 THR 11 HG1 THR 11 4.971 0.350 6.719 533 HG21 THR 11 HG21 THR 11 5.647 1.657 10.015 534 HG22 THR 11 HG22 THR 11 5.723 0.040 10.719 535 HG23 THR 11 HG23 THR 11 4.202 0.643 10.056 536 H GLY 12 HN GLY 12 9.451 -0.879 7.639 537 HA2 GLY 12 HA2 GLY 12 8.994 -1.545 4.878 538 HA3 GLY 12 HA1 GLY 12 10.412 -1.951 5.841 539 H GLY 13 HN GLY 13 9.088 -3.296 7.947 540 HA2 GLY 13 HA2 GLY 13 7.596 -5.548 6.723 541 HA3 GLY 13 HA1 GLY 13 8.971 -5.853 7.783 542 H LYS 14 HN LYS 14 7.099 -7.054 8.887 543 HA LYS 14 HA LYS 14 6.080 -5.355 11.060 544 HB2 LYS 14 HB2 LYS 14 4.197 -5.537 9.470 545 HB3 LYS 14 HB1 LYS 14 4.352 -7.286 9.437 546 HG2 LYS 14 HG2 LYS 14 2.449 -6.635 10.817 547 HG3 LYS 14 HG1 LYS 14 3.685 -7.397 11.820 548 HD2 LYS 14 HD2 LYS 14 4.459 -5.098 12.506 549 HD3 LYS 14 HD1 LYS 14 3.109 -4.411 11.598 550 HE2 LYS 14 HE2 LYS 14 2.871 -6.289 13.983 551 HE3 LYS 14 HE1 LYS 14 2.622 -4.544 14.015 552 HZ1 LYS 14 HZ1 LYS 14 0.993 -6.525 12.521 553 HZ2 LYS 14 HZ2 LYS 14 0.778 -4.850 12.448 554 HZ3 LYS 14 HZ3 LYS 14 0.524 -5.671 13.906 555 H ALA 15 HN ALA 15 6.375 -6.278 12.976 556 HA ALA 15 HA ALA 15 6.241 -9.111 13.476 557 HB1 ALA 15 HB1 ALA 15 8.908 -7.674 13.874 558 HB2 ALA 15 HB2 ALA 15 8.580 -8.921 12.669 559 HB3 ALA 15 HB3 ALA 15 8.541 -9.320 14.390 Start of MODEL 16 1 H1 GLY 1 HT1 GLY 1 2.852 -0.579 0.756 2 H2 GLY 1 HT2 GLY 1 2.317 -0.274 -0.821 3 H3 GLY 1 HT3 GLY 1 1.218 -0.237 0.466 4 HA2 GLY 1 HA1 GLY 1 1.828 2.003 -0.284 5 HA3 GLY 1 HA2 GLY 1 2.246 1.687 1.398 6 H GLU 2 HN GLU 2 4.045 0.309 -1.271 7 HA GLU 2 HA GLU 2 6.470 1.768 -0.511 8 HB2 GLU 2 HB2 GLU 2 6.122 -0.437 -2.610 9 HB3 GLU 2 HB1 GLU 2 7.648 0.219 -2.039 10 HG2 GLU 2 HG2 GLU 2 7.427 -1.871 -0.972 11 HG3 GLU 2 HG1 GLU 2 7.036 -0.674 0.262 12 H PHE 3 HN PHE 3 7.297 3.402 -1.745 13 HA PHE 3 HA PHE 3 6.056 4.011 -4.372 14 HB2 PHE 3 HB2 PHE 3 5.206 5.551 -2.551 15 HB3 PHE 3 HB1 PHE 3 6.858 6.090 -2.263 16 HD1 PHE 3 HD1 PHE 3 4.225 5.889 -4.922 17 HD2 PHE 3 HD2 PHE 3 7.735 7.903 -3.543 18 HE1 PHE 3 HE1 PHE 3 3.972 7.561 -6.704 19 HE2 PHE 3 HE2 PHE 3 7.475 9.568 -5.327 20 HZ PHE 3 HZ PHE 3 5.595 9.400 -6.911 21 H VAL 4 HN VAL 4 7.436 5.202 -5.833 22 HA VAL 4 HA VAL 4 10.098 4.212 -5.877 23 HB VAL 4 HB VAL 4 8.957 4.461 -7.976 24 HG11 VAL 4 HG11 VAL 4 8.296 6.627 -8.968 25 HG12 VAL 4 HG12 VAL 4 8.770 7.454 -7.481 26 HG13 VAL 4 HG13 VAL 4 7.428 6.310 -7.462 27 HG21 VAL 4 HG21 VAL 4 11.407 4.745 -8.033 28 HG22 VAL 4 HG22 VAL 4 11.221 6.491 -7.853 29 HG23 VAL 4 HG23 VAL 4 10.633 5.688 -9.309 30 H VAL 5 HN VAL 5 11.898 5.034 -5.043 31 HA VAL 5 HA VAL 5 12.063 7.889 -4.334 32 HB VAL 5 HB VAL 5 12.689 6.605 -2.441 33 HG11 VAL 5 HG11 VAL 5 13.055 4.419 -3.497 34 HG12 VAL 5 HG12 VAL 5 14.359 4.818 -2.377 35 HG13 VAL 5 HG13 VAL 5 14.613 4.967 -4.124 36 HG21 VAL 5 HG21 VAL 5 15.054 7.231 -2.041 37 HG22 VAL 5 HG22 VAL 5 14.166 8.529 -2.841 38 HG23 VAL 5 HG23 VAL 5 15.274 7.516 -3.771 39 H GLU 6 HN GLU 6 12.911 9.154 -5.741 40 HA GLU 6 HA GLU 6 14.228 8.721 -8.121 41 HB2 GLU 6 HB2 GLU 6 13.180 10.853 -7.369 42 HB3 GLU 6 HB1 GLU 6 14.473 11.084 -6.205 43 HG2 GLU 6 HG2 GLU 6 16.084 11.261 -8.120 44 HG3 GLU 6 HG1 GLU 6 14.714 11.150 -9.228 45 H LYS 7 HN LYS 7 15.725 9.689 -5.016 46 HA LYS 7 HA LYS 7 18.173 8.235 -5.425 47 HB2 LYS 7 HB2 LYS 7 19.681 10.236 -5.501 48 HB3 LYS 7 HB1 LYS 7 18.664 10.115 -6.932 49 HG2 LYS 7 HG2 LYS 7 17.212 11.892 -6.139 50 HG3 LYS 7 HG1 LYS 7 18.038 11.932 -4.580 51 HD2 LYS 7 HD2 LYS 7 18.763 13.822 -5.960 52 HD3 LYS 7 HD1 LYS 7 20.114 12.722 -5.691 53 HE2 LYS 7 HE2 LYS 7 20.104 13.500 -8.003 54 HE3 LYS 7 HE1 LYS 7 19.765 11.772 -7.962 55 HZ1 LYS 7 HZ1 LYS 7 17.736 13.922 -8.260 56 HZ2 LYS 7 HZ2 LYS 7 17.431 12.258 -8.258 57 HZ3 LYS 7 HZ3 LYS 7 18.334 12.949 -9.505 58 H VAL 8 HN VAL 8 19.629 8.440 -3.572 59 HA VAL 8 HA VAL 8 18.423 9.338 -1.069 60 HB VAL 8 HB VAL 8 21.182 8.138 -1.621 61 HG11 VAL 8 HG11 VAL 8 21.255 9.567 0.388 62 HG12 VAL 8 HG12 VAL 8 21.399 7.867 0.827 63 HG13 VAL 8 HG13 VAL 8 19.868 8.709 1.069 64 HG21 VAL 8 HG21 VAL 8 20.279 6.070 -0.596 65 HG22 VAL 8 HG22 VAL 8 19.359 6.522 -2.032 66 HG23 VAL 8 HG23 VAL 8 18.698 6.835 -0.425 67 H LEU 9 HN LEU 9 18.851 11.248 -0.126 68 HA LEU 9 HA LEU 9 20.534 13.215 -1.508 69 HB2 LEU 9 HB2 LEU 9 18.406 13.588 0.638 70 HB3 LEU 9 HB1 LEU 9 19.288 14.894 -0.146 71 HG LEU 9 HG LEU 9 17.344 12.985 -1.516 72 HD11 LEU 9 HD11 LEU 9 15.894 14.953 -1.796 73 HD12 LEU 9 HD12 LEU 9 17.025 15.933 -0.858 74 HD13 LEU 9 HD13 LEU 9 16.175 14.584 -0.098 75 HD21 LEU 9 HD21 LEU 9 17.616 14.402 -3.519 76 HD22 LEU 9 HD22 LEU 9 19.120 13.608 -3.067 77 HD23 LEU 9 HD23 LEU 9 18.886 15.320 -2.703 78 H ASP 10 HN ASP 10 20.160 11.610 1.652 79 HA ASP 10 HA ASP 10 22.702 12.626 2.618 80 HB2 ASP 10 HB2 ASP 10 21.109 14.533 2.992 81 HB3 ASP 10 HB1 ASP 10 20.130 13.482 4.011 82 H ARG 11 HN ARG 11 23.138 11.829 4.915 83 HA ARG 11 HA ARG 11 21.903 9.187 5.447 84 HB2 ARG 11 HB2 ARG 11 23.991 9.054 3.985 85 HB3 ARG 11 HB1 ARG 11 24.909 9.718 5.328 86 HG2 ARG 11 HG2 ARG 11 24.323 7.725 6.685 87 HG3 ARG 11 HG1 ARG 11 23.403 7.081 5.322 88 HD2 ARG 11 HD2 ARG 11 25.614 7.236 3.982 89 HD3 ARG 11 HD1 ARG 11 26.404 7.459 5.550 90 HE ARG 11 HE ARG 11 24.668 5.119 5.190 91 HH11 ARG 11 HH11 ARG 11 27.972 6.301 5.376 92 HH12 ARG 11 HH12 ARG 11 28.637 4.716 5.603 93 HH21 ARG 11 HH21 ARG 11 25.555 3.067 5.497 94 HH22 ARG 11 HH22 ARG 11 27.269 2.894 5.700 95 H ARG 12 HN ARG 12 21.906 8.577 7.628 96 HA ARG 12 HA ARG 12 23.352 10.174 9.641 97 HB2 ARG 12 HB2 ARG 12 21.424 10.506 11.054 98 HB3 ARG 12 HB1 ARG 12 20.955 11.059 9.448 99 HG2 ARG 12 HG2 ARG 12 19.791 8.894 9.065 100 HG3 ARG 12 HG1 ARG 12 20.218 8.390 10.701 101 HD2 ARG 12 HD2 ARG 12 18.504 10.808 10.030 102 HD3 ARG 12 HD1 ARG 12 17.875 9.216 10.467 103 HE ARG 12 HE ARG 12 19.674 10.489 12.378 104 HH11 ARG 12 HH11 ARG 12 16.342 9.714 11.544 105 HH12 ARG 12 HH12 ARG 12 15.733 10.148 13.107 106 HH21 ARG 12 HH21 ARG 12 18.856 10.996 14.424 107 HH22 ARG 12 HH22 ARG 12 17.157 10.860 14.737 108 H VAL 13 HN VAL 13 23.492 9.048 11.738 109 HA VAL 13 HA VAL 13 22.845 6.149 11.685 110 HB VAL 13 HB VAL 13 25.198 7.460 13.136 111 HG11 VAL 13 HG11 VAL 13 24.329 4.533 13.107 112 HG12 VAL 13 HG12 VAL 13 24.269 5.624 14.495 113 HG13 VAL 13 HG13 VAL 13 25.827 5.146 13.821 114 HG21 VAL 13 HG21 VAL 13 25.622 7.229 10.720 115 HG22 VAL 13 HG22 VAL 13 25.193 5.517 10.791 116 HG23 VAL 13 HG23 VAL 13 26.629 6.102 11.635 117 H VAL 14 HN VAL 14 21.394 5.560 13.168 118 HA VAL 14 HA VAL 14 21.008 7.087 15.657 119 HB VAL 14 HB VAL 14 19.374 8.113 14.196 120 HG11 VAL 14 HG11 VAL 14 17.673 6.855 12.900 121 HG12 VAL 14 HG12 VAL 14 18.425 5.335 13.389 122 HG13 VAL 14 HG13 VAL 14 19.316 6.472 12.377 123 HG21 VAL 14 HG21 VAL 14 17.922 6.071 15.931 124 HG22 VAL 14 HG22 VAL 14 17.219 7.558 15.290 125 HG23 VAL 14 HG23 VAL 14 18.533 7.639 16.466 126 H ASN 15 HN ASN 15 20.979 5.690 17.301 127 HA ASN 15 HA ASN 15 20.870 3.834 18.586 128 HB2 ASN 15 HB2 ASN 15 18.623 3.098 16.666 129 HB3 ASN 15 HB1 ASN 15 18.973 2.204 18.141 130 HD21 ASN 15 HD21 ASN 15 16.905 2.644 18.955 131 HD22 ASN 15 HD22 ASN 15 16.460 4.205 19.546 132 H GLY 16 HN GLY 16 22.632 3.830 16.158 133 HA2 GLY 16 HA2 GLY 16 24.387 2.361 15.686 134 HA3 GLY 16 HA1 GLY 16 23.445 1.020 16.307 135 H LYS 17 HN LYS 17 21.263 2.426 14.367 136 HA LYS 17 HA LYS 17 22.012 0.865 11.977 137 HB2 LYS 17 HB2 LYS 17 19.757 0.809 11.355 138 HB3 LYS 17 HB1 LYS 17 19.622 0.796 13.107 139 HG2 LYS 17 HG2 LYS 17 19.097 3.207 13.094 140 HG3 LYS 17 HG1 LYS 17 19.272 3.250 11.342 141 HD2 LYS 17 HD2 LYS 17 16.909 3.161 11.899 142 HD3 LYS 17 HD1 LYS 17 17.378 1.641 11.134 143 HE2 LYS 17 HE2 LYS 17 17.520 0.583 13.385 144 HE3 LYS 17 HE1 LYS 17 16.981 2.099 14.116 145 HZ1 LYS 17 HZ1 LYS 17 15.453 0.398 12.222 146 HZ2 LYS 17 HZ2 LYS 17 14.930 1.904 12.790 147 HZ3 LYS 17 HZ3 LYS 17 15.139 0.622 13.867 148 H VAL 18 HN VAL 18 21.393 1.968 9.874 149 HA VAL 18 HA VAL 18 22.120 4.833 9.856 150 HB VAL 18 HB VAL 18 22.672 2.728 7.701 151 HG11 VAL 18 HG11 VAL 18 23.337 5.697 7.709 152 HG12 VAL 18 HG12 VAL 18 22.138 4.899 6.685 153 HG13 VAL 18 HG13 VAL 18 23.851 4.530 6.488 154 HG21 VAL 18 HG21 VAL 18 25.073 3.120 8.177 155 HG22 VAL 18 HG22 VAL 18 24.232 2.519 9.607 156 HG23 VAL 18 HG23 VAL 18 24.640 4.230 9.482 157 H GLU 19 HN GLU 19 20.458 6.114 9.221 158 HA GLU 19 HA GLU 19 18.424 5.045 7.347 159 HB2 GLU 19 HB2 GLU 19 18.244 7.590 9.009 160 HB3 GLU 19 HB1 GLU 19 16.995 6.934 7.952 161 HG2 GLU 19 HG2 GLU 19 16.961 4.898 9.468 162 HG3 GLU 19 HG1 GLU 19 17.990 5.798 10.578 163 H TYR 20 HN TYR 20 17.742 6.409 5.649 164 HA TYR 20 HA TYR 20 19.775 8.279 4.608 165 HB2 TYR 20 HB2 TYR 20 18.250 6.120 3.058 166 HB3 TYR 20 HB1 TYR 20 19.274 7.344 2.325 167 HD1 TYR 20 HD1 TYR 20 19.275 4.213 4.311 168 HD2 TYR 20 HD2 TYR 20 21.729 7.198 2.481 169 HE1 TYR 20 HE1 TYR 20 21.255 2.786 4.609 170 HE2 TYR 20 HE2 TYR 20 23.695 5.761 2.770 171 HH TYR 20 HH TYR 20 23.468 2.475 3.754 172 H PHE 21 HN PHE 21 18.886 10.232 4.167 173 HA PHE 21 HA PHE 21 16.038 10.676 4.164 174 HB2 PHE 21 HB2 PHE 21 17.713 12.405 4.978 175 HB3 PHE 21 HB1 PHE 21 18.253 12.618 3.317 176 HD1 PHE 21 HD2 PHE 21 15.250 12.869 5.516 177 HD2 PHE 21 HD1 PHE 21 17.100 14.166 1.891 178 HE1 PHE 21 HE2 PHE 21 13.451 14.504 5.182 179 HE2 PHE 21 HE1 PHE 21 15.286 15.800 1.560 180 HZ PHE 21 HZ PHE 21 13.460 15.966 3.202 181 H LEU 22 HN LEU 22 14.908 10.010 2.492 182 HA LEU 22 HA LEU 22 16.121 9.467 -0.075 183 HB2 LEU 22 HB2 LEU 22 13.276 9.121 0.919 184 HB3 LEU 22 HB1 LEU 22 13.885 8.532 -0.621 185 HG LEU 22 HG LEU 22 14.619 7.544 2.162 186 HD11 LEU 22 HD11 LEU 22 12.518 6.706 1.234 187 HD12 LEU 22 HD12 LEU 22 13.714 5.428 1.366 188 HD13 LEU 22 HD13 LEU 22 13.356 6.137 -0.211 189 HD21 LEU 22 HD21 LEU 22 16.701 7.605 0.871 190 HD22 LEU 22 HD22 LEU 22 15.936 6.741 -0.464 191 HD23 LEU 22 HD23 LEU 22 16.172 5.938 1.091 192 H LYS 23 HN LYS 23 14.894 10.067 -2.064 193 HA LYS 23 HA LYS 23 13.403 12.607 -1.899 194 HB2 LYS 23 HB2 LYS 23 15.822 12.610 -3.020 195 HB3 LYS 23 HB1 LYS 23 15.004 11.829 -4.363 196 HG2 LYS 23 HG2 LYS 23 14.348 14.562 -3.210 197 HG3 LYS 23 HG1 LYS 23 15.266 14.262 -4.689 198 HD2 LYS 23 HD2 LYS 23 13.243 13.209 -5.697 199 HD3 LYS 23 HD1 LYS 23 12.330 13.565 -4.225 200 HE2 LYS 23 HE2 LYS 23 11.941 15.223 -6.063 201 HE3 LYS 23 HE1 LYS 23 12.571 15.958 -4.589 202 HZ1 LYS 23 HZ1 LYS 23 14.281 15.187 -6.886 203 HZ2 LYS 23 HZ2 LYS 23 14.712 16.130 -5.544 204 HZ3 LYS 23 HZ3 LYS 23 13.623 16.728 -6.694 205 H TRP 24 HN TRP 24 11.370 11.713 -1.952 206 HA TRP 24 HA TRP 24 10.613 9.489 -3.565 207 HB2 TRP 24 HB2 TRP 24 8.837 11.627 -2.298 208 HB3 TRP 24 HB1 TRP 24 8.288 10.076 -2.940 209 HD1 TRP 24 HD1 TRP 24 9.390 11.637 0.217 210 HE1 TRP 24 HE1 TRP 24 9.798 9.864 2.027 211 HE3 TRP 24 HE3 TRP 24 9.371 7.445 -2.717 212 HZ2 TRP 24 HZ2 TRP 24 10.067 7.085 2.206 213 HZ3 TRP 24 HZ3 TRP 24 9.712 5.259 -1.640 214 HH2 TRP 24 HH2 TRP 24 10.055 5.084 0.774 215 H LYS 25 HN LYS 25 10.342 9.482 -5.709 216 HA LYS 25 HA LYS 25 10.788 11.879 -7.215 217 HB2 LYS 25 HB2 LYS 25 11.683 9.569 -7.785 218 HB3 LYS 25 HB1 LYS 25 10.053 9.119 -8.273 219 HG2 LYS 25 HG2 LYS 25 10.073 10.769 -10.056 220 HG3 LYS 25 HG1 LYS 25 11.618 11.413 -9.501 221 HD2 LYS 25 HD2 LYS 25 11.981 10.011 -11.464 222 HD3 LYS 25 HD1 LYS 25 12.709 9.242 -10.053 223 HE2 LYS 25 HE2 LYS 25 11.558 7.579 -11.422 224 HE3 LYS 25 HE1 LYS 25 10.739 7.748 -9.871 225 HZ1 LYS 25 HZ1 LYS 25 9.177 7.643 -11.689 226 HZ2 LYS 25 HZ2 LYS 25 9.888 8.986 -12.428 227 HZ3 LYS 25 HZ3 LYS 25 9.093 9.156 -10.946 228 H GLY 26 HN GLY 26 9.265 13.278 -7.735 229 HA2 GLY 26 HA2 GLY 26 7.168 13.745 -8.941 230 HA3 GLY 26 HA1 GLY 26 6.416 12.438 -8.034 231 H PHE 27 HN PHE 27 7.895 13.196 -5.603 232 HA PHE 27 HA PHE 27 6.161 15.381 -4.648 233 HB2 PHE 27 HB2 PHE 27 7.765 13.244 -3.163 234 HB3 PHE 27 HB1 PHE 27 6.886 14.540 -2.362 235 HD1 PHE 27 HD1 PHE 27 4.388 14.649 -2.512 236 HD2 PHE 27 HD2 PHE 27 6.582 11.292 -3.981 237 HE1 PHE 27 HE1 PHE 27 2.334 13.297 -2.508 238 HE2 PHE 27 HE2 PHE 27 4.517 9.947 -3.971 239 HZ PHE 27 HZ PHE 27 2.394 10.950 -3.242 240 H THR 28 HN THR 28 7.015 16.976 -3.213 241 HA THR 28 HA THR 28 9.466 18.167 -4.111 242 HB THR 28 HB THR 28 7.545 19.598 -3.554 243 HG1 THR 28 HG1 THR 28 9.301 20.811 -3.264 244 HG21 THR 28 HG21 THR 28 6.821 19.972 -1.227 245 HG22 THR 28 HG22 THR 28 7.929 18.713 -0.674 246 HG23 THR 28 HG23 THR 28 6.558 18.294 -1.703 247 H ASP 29 HN ASP 29 11.170 18.898 -2.605 248 HA ASP 29 HA ASP 29 12.260 16.705 -1.143 249 HB2 ASP 29 HB2 ASP 29 13.260 19.572 -1.209 250 HB3 ASP 29 HB1 ASP 29 14.192 18.156 -0.741 251 H ALA 30 HN ALA 30 10.277 19.385 -0.271 252 HA ALA 30 HA ALA 30 10.725 19.439 2.561 253 HB1 ALA 30 HB1 ALA 30 8.295 20.327 0.948 254 HB2 ALA 30 HB2 ALA 30 9.691 21.326 1.348 255 HB3 ALA 30 HB3 ALA 30 8.627 20.756 2.633 256 H ASP 31 HN ASP 31 8.741 17.525 0.387 257 HA ASP 31 HA ASP 31 7.027 16.361 2.412 258 HB2 ASP 31 HB2 ASP 31 6.208 16.671 0.092 259 HB3 ASP 31 HB1 ASP 31 7.464 15.600 -0.517 260 H ASN 32 HN ASN 32 10.065 15.600 0.890 261 HA ASN 32 HA ASN 32 10.075 12.804 1.133 262 HB2 ASN 32 HB2 ASN 32 12.456 14.678 1.020 263 HB3 ASN 32 HB1 ASN 32 12.506 12.943 0.719 264 HD21 ASN 32 HD21 ASN 32 9.832 13.150 -0.783 265 HD22 ASN 32 HD22 ASN 32 10.285 13.800 -2.314 266 H THR 33 HN THR 33 11.318 11.416 2.528 267 HA THR 33 HA THR 33 11.334 12.358 5.348 268 HB THR 33 HB THR 33 10.245 10.142 5.940 269 HG1 THR 33 HG1 THR 33 10.369 8.760 4.323 270 HG21 THR 33 HG21 THR 33 8.589 11.854 4.048 271 HG22 THR 33 HG22 THR 33 8.810 12.157 5.771 272 HG23 THR 33 HG23 THR 33 7.947 10.713 5.237 273 H TRP 34 HN TRP 34 12.513 10.944 6.821 274 HA TRP 34 HA TRP 34 14.858 9.624 5.729 275 HB2 TRP 34 HB2 TRP 34 13.875 10.021 8.592 276 HB3 TRP 34 HB1 TRP 34 15.351 9.150 8.188 277 HD1 TRP 34 HD1 TRP 34 13.947 12.707 8.447 278 HE1 TRP 34 HE1 TRP 34 15.910 14.361 8.274 279 HE3 TRP 34 HE3 TRP 34 17.637 9.435 7.107 280 HZ2 TRP 34 HZ2 TRP 34 18.668 14.283 7.648 281 HZ3 TRP 34 HZ3 TRP 34 19.909 10.293 6.729 282 HH2 TRP 34 HH2 TRP 34 20.415 12.671 6.997 283 H GLU 35 HN GLU 35 14.730 7.560 5.053 284 HA GLU 35 HA GLU 35 13.065 5.656 6.600 285 HB2 GLU 35 HB2 GLU 35 13.843 5.468 3.664 286 HB3 GLU 35 HB1 GLU 35 12.980 4.223 4.563 287 HG2 GLU 35 HG2 GLU 35 11.992 6.955 3.706 288 HG3 GLU 35 HG1 GLU 35 11.384 5.373 3.241 289 HA PRO 36 HA PRO 36 17.074 3.918 7.618 290 HB2 PRO 36 HB2 PRO 36 16.232 1.527 8.695 291 HB3 PRO 36 HB1 PRO 36 16.125 3.077 9.541 292 HG2 PRO 36 HG2 PRO 36 13.984 1.590 8.034 293 HG3 PRO 36 HG1 PRO 36 13.878 2.423 9.598 294 HD2 PRO 36 HD2 PRO 36 12.984 3.542 7.281 295 HD3 PRO 36 HD1 PRO 36 13.651 4.520 8.609 296 H GLU 37 HN GLU 37 18.473 2.213 6.994 297 HA GLU 37 HA GLU 37 18.523 1.436 4.329 298 HB2 GLU 37 HB2 GLU 37 20.441 0.002 5.015 299 HB3 GLU 37 HB1 GLU 37 20.505 1.589 5.782 300 HG2 GLU 37 HG2 GLU 37 19.443 0.543 7.826 301 HG3 GLU 37 HG1 GLU 37 19.650 -1.028 7.057 302 H GLU 38 HN GLU 38 17.059 -0.139 7.048 303 HA GLU 38 HA GLU 38 16.755 -2.795 5.998 304 HB2 GLU 38 HB2 GLU 38 15.443 -3.169 8.060 305 HB3 GLU 38 HB1 GLU 38 16.919 -2.275 8.428 306 HG2 GLU 38 HG2 GLU 38 15.503 -0.147 8.312 307 HG3 GLU 38 HG1 GLU 38 14.087 -1.194 8.273 308 H ASN 39 HN ASN 39 15.068 0.139 5.443 309 HA ASN 39 HA ASN 39 12.459 -1.178 4.954 310 HB2 ASN 39 HB2 ASN 39 12.771 0.738 6.711 311 HB3 ASN 39 HB1 ASN 39 12.886 1.821 5.328 312 HD21 ASN 39 HD21 ASN 39 11.000 2.920 5.923 313 HD22 ASN 39 HD22 ASN 39 9.433 2.219 5.774 314 H LEU 40 HN LEU 40 15.109 -0.080 3.283 315 HA LEU 40 HA LEU 40 13.742 1.220 1.041 316 HB2 LEU 40 HB2 LEU 40 16.693 0.455 1.237 317 HB3 LEU 40 HB1 LEU 40 15.960 1.600 0.119 318 HG LEU 40 HG LEU 40 16.365 1.956 3.112 319 HD11 LEU 40 HD11 LEU 40 17.508 3.513 0.770 320 HD12 LEU 40 HD12 LEU 40 18.372 2.354 1.784 321 HD13 LEU 40 HD13 LEU 40 17.773 3.852 2.485 322 HD21 LEU 40 HD21 LEU 40 15.336 4.178 2.885 323 HD22 LEU 40 HD22 LEU 40 14.194 2.883 2.556 324 HD23 LEU 40 HD23 LEU 40 14.884 3.804 1.218 325 H ASP 41 HN ASP 41 13.804 0.400 -1.163 326 HA ASP 41 HA ASP 41 14.538 -2.477 -1.476 327 HB2 ASP 41 HB2 ASP 41 12.817 -0.747 -3.313 328 HB3 ASP 41 HB1 ASP 41 13.189 -2.448 -3.558 329 H CYS 42 HN CYS 42 16.121 0.243 -1.567 330 HA CYS 42 HA CYS 42 17.345 -0.069 -4.253 331 HB2 CYS 42 HB2 CYS 42 17.830 2.387 -4.097 332 HB3 CYS 42 HB1 CYS 42 16.110 2.024 -4.120 333 HG CYS 42 HG CYS 42 17.779 2.631 -1.200 334 HA PRO 43 HA PRO 43 21.102 -0.627 -1.586 335 HB2 PRO 43 HB2 PRO 43 22.167 -2.723 -2.972 336 HB3 PRO 43 HB1 PRO 43 20.972 -2.964 -1.689 337 HG2 PRO 43 HG2 PRO 43 20.570 -2.920 -4.677 338 HG3 PRO 43 HG1 PRO 43 19.903 -4.048 -3.477 339 HD2 PRO 43 HD2 PRO 43 18.477 -1.932 -4.499 340 HD3 PRO 43 HD1 PRO 43 18.198 -2.590 -2.873 341 H GLU 44 HN GLU 44 20.307 -0.355 -4.969 342 HA GLU 44 HA GLU 44 22.812 0.360 -6.057 343 HB2 GLU 44 HB2 GLU 44 21.462 1.286 -7.970 344 HB3 GLU 44 HB1 GLU 44 21.056 -0.373 -7.543 345 HG2 GLU 44 HG2 GLU 44 19.033 0.390 -6.380 346 HG3 GLU 44 HG1 GLU 44 19.454 2.070 -6.706 347 H LEU 45 HN LEU 45 20.163 2.347 -4.729 348 HA LEU 45 HA LEU 45 21.442 4.857 -5.343 349 HB2 LEU 45 HB2 LEU 45 19.037 4.241 -3.581 350 HB3 LEU 45 HB1 LEU 45 19.567 5.862 -4.017 351 HG LEU 45 HG LEU 45 18.507 3.747 -5.944 352 HD11 LEU 45 HD11 LEU 45 17.240 6.336 -4.991 353 HD12 LEU 45 HD12 LEU 45 16.755 4.702 -4.535 354 HD13 LEU 45 HD13 LEU 45 16.571 5.236 -6.201 355 HD21 LEU 45 HD21 LEU 45 20.208 5.104 -7.063 356 HD22 LEU 45 HD22 LEU 45 19.403 6.591 -6.553 357 HD23 LEU 45 HD23 LEU 45 18.607 5.492 -7.683 358 H ILE 46 HN ILE 46 21.276 2.717 -2.532 359 HA ILE 46 HA ILE 46 22.519 4.399 -0.613 360 HB ILE 46 HB ILE 46 22.547 1.356 -0.902 361 HG12 ILE 46 HG12 ILE 46 21.025 3.173 1.028 362 HG13 ILE 46 HG11 ILE 46 20.333 2.371 -0.379 363 HG21 ILE 46 HG21 ILE 46 23.414 1.209 1.421 364 HG22 ILE 46 HG22 ILE 46 23.639 2.959 1.442 365 HG23 ILE 46 HG23 ILE 46 24.579 1.964 0.328 366 HD11 ILE 46 HD11 ILE 46 21.433 1.015 2.090 367 HD12 ILE 46 HD12 ILE 46 20.774 0.185 0.677 368 HD13 ILE 46 HD13 ILE 46 19.735 1.213 1.662 369 H GLU 47 HN GLU 47 23.878 1.951 -2.822 370 HA GLU 47 HA GLU 47 26.593 2.295 -2.150 371 HB2 GLU 47 HB2 GLU 47 25.754 0.283 -3.308 372 HB3 GLU 47 HB1 GLU 47 25.328 1.244 -4.720 373 HG2 GLU 47 HG2 GLU 47 27.709 1.715 -5.143 374 HG3 GLU 47 HG1 GLU 47 28.152 0.819 -3.696 375 H ALA 48 HN ALA 48 24.625 3.674 -4.782 376 HA ALA 48 HA ALA 48 26.684 5.050 -6.147 377 HB1 ALA 48 HB1 ALA 48 24.886 6.287 -7.291 378 HB2 ALA 48 HB2 ALA 48 23.712 5.702 -6.107 379 HB3 ALA 48 HB3 ALA 48 24.502 4.567 -7.202 380 H PHE 49 HN PHE 49 24.440 6.049 -3.565 381 HA PHE 49 HA PHE 49 25.204 8.734 -3.258 382 HB2 PHE 49 HB2 PHE 49 23.255 7.909 -2.068 383 HB3 PHE 49 HB1 PHE 49 24.210 6.708 -1.207 384 HD1 PHE 49 HD2 PHE 49 23.661 10.396 -1.545 385 HD2 PHE 49 HD1 PHE 49 25.216 7.245 0.894 386 HE1 PHE 49 HE2 PHE 49 24.028 11.990 0.291 387 HE2 PHE 49 HE1 PHE 49 25.586 8.849 2.715 388 HZ PHE 49 HZ PHE 49 24.999 11.217 2.415 389 H LEU 50 HN LEU 50 26.520 5.781 -1.753 390 HA LEU 50 HA LEU 50 28.544 7.024 -0.202 391 HB2 LEU 50 HB2 LEU 50 28.350 4.164 -1.232 392 HB3 LEU 50 HB1 LEU 50 29.496 4.705 -0.010 393 HG LEU 50 HG LEU 50 26.463 4.725 0.292 394 HD11 LEU 50 HD11 LEU 50 28.499 2.841 1.526 395 HD12 LEU 50 HD12 LEU 50 27.319 2.442 0.274 396 HD13 LEU 50 HD13 LEU 50 26.768 2.879 1.888 397 HD21 LEU 50 HD21 LEU 50 27.480 6.538 1.576 398 HD22 LEU 50 HD22 LEU 50 28.604 5.407 2.334 399 HD23 LEU 50 HD23 LEU 50 26.873 5.285 2.654 400 H ASN 51 HN ASN 51 28.461 5.985 -3.560 401 HA ASN 51 HA ASN 51 31.310 6.349 -4.018 402 HB2 ASN 51 HB2 ASN 51 28.974 5.654 -5.836 403 HB3 ASN 51 HB1 ASN 51 30.528 6.115 -6.519 404 HD21 ASN 51 HD21 ASN 51 28.741 3.569 -5.063 405 HD22 ASN 51 HD22 ASN 51 30.003 2.398 -5.036 406 H SER 52 HN SER 52 28.516 8.405 -4.031 407 HA SER 52 HA SER 52 29.698 10.467 -5.714 408 HB2 SER 52 HB2 SER 52 27.192 10.521 -3.967 409 HB3 SER 52 HB1 SER 52 27.670 11.789 -5.099 410 HG SER 52 HG SER 52 27.491 9.170 -6.074 411 H GLN 53 HN GLN 53 28.806 10.218 -2.229 412 HA GLN 53 HA GLN 53 30.302 12.588 -1.547 413 HB2 GLN 53 HB2 GLN 53 29.582 12.137 0.803 414 HB3 GLN 53 HB1 GLN 53 28.265 12.261 -0.340 415 HG2 GLN 53 HG2 GLN 53 27.594 10.525 1.046 416 HG3 GLN 53 HG1 GLN 53 28.258 9.674 -0.340 417 HE21 GLN 53 HE21 GLN 53 29.996 8.316 -0.039 418 HE22 GLN 53 HE22 GLN 53 30.714 7.997 1.495 419 H LYS 54 HN LYS 54 30.962 9.191 -1.606 420 HA LYS 54 HA LYS 54 32.809 7.931 -1.329 421 HB2 LYS 54 HB2 LYS 54 34.295 10.573 -1.559 422 HB3 LYS 54 HB1 LYS 54 35.007 8.977 -1.781 423 HG2 LYS 54 HG2 LYS 54 33.678 8.591 -3.779 424 HG3 LYS 54 HG1 LYS 54 32.767 10.084 -3.524 425 HD2 LYS 54 HD2 LYS 54 35.730 9.857 -4.196 426 HD3 LYS 54 HD1 LYS 54 34.445 10.398 -5.283 427 HE2 LYS 54 HE2 LYS 54 35.387 11.802 -2.757 428 HE3 LYS 54 HE1 LYS 54 35.672 12.324 -4.418 429 HZ1 LYS 54 HZ1 LYS 54 33.025 12.148 -3.069 430 HZ2 LYS 54 HZ2 LYS 54 33.270 12.618 -4.671 431 HZ3 LYS 54 HZ3 LYS 54 33.877 13.569 -3.415 432 H1 ALA 1 HT1 ALA 1 20.732 0.874 -18.259 433 H2 ALA 1 HT2 ALA 1 19.251 1.205 -17.511 434 H3 ALA 1 HT3 ALA 1 20.702 1.529 -16.704 435 HA ALA 1 HA ALA 1 21.284 3.207 -18.320 436 HB1 ALA 1 HB1 ALA 1 20.116 2.224 -20.258 437 HB2 ALA 1 HB2 ALA 1 19.652 3.911 -20.035 438 HB3 ALA 1 HB3 ALA 1 18.556 2.620 -19.532 439 H ARG 2 HN ARG 2 17.787 2.961 -17.582 440 HA ARG 2 HA ARG 2 18.046 4.938 -15.428 441 HB2 ARG 2 HB2 ARG 2 16.021 6.168 -16.261 442 HB3 ARG 2 HB1 ARG 2 17.407 6.307 -17.335 443 HG2 ARG 2 HG2 ARG 2 16.438 4.666 -18.865 444 HG3 ARG 2 HG1 ARG 2 15.072 4.417 -17.777 445 HD2 ARG 2 HD2 ARG 2 14.450 6.836 -18.098 446 HD3 ARG 2 HD1 ARG 2 15.747 6.963 -19.298 447 HE ARG 2 HE ARG 2 13.487 5.060 -19.578 448 HH11 ARG 2 HH11 ARG 2 15.545 7.527 -21.004 449 HH12 ARG 2 HH12 ARG 2 14.776 7.431 -22.551 450 HH21 ARG 2 HH21 ARG 2 12.494 4.944 -21.604 451 HH22 ARG 2 HH22 ARG 2 13.031 5.980 -22.886 452 H THR 3 HN THR 3 17.436 3.770 -13.716 453 HA THR 3 HA THR 3 14.976 2.132 -13.841 454 HB THR 3 HB THR 3 15.954 1.065 -11.680 455 HG1 THR 3 HG1 THR 3 17.810 1.833 -11.057 456 HG21 THR 3 HG21 THR 3 17.438 0.568 -14.290 457 HG22 THR 3 HG22 THR 3 15.902 -0.171 -13.829 458 HG23 THR 3 HG23 THR 3 17.364 -0.528 -12.907 459 H LYS 4 HN LYS 4 13.344 2.642 -12.541 460 HA LYS 4 HA LYS 4 13.614 4.835 -10.587 461 HB2 LYS 4 HB2 LYS 4 11.097 4.960 -10.758 462 HB3 LYS 4 HB1 LYS 4 11.958 5.383 -12.229 463 HG2 LYS 4 HG2 LYS 4 11.399 3.256 -13.246 464 HG3 LYS 4 HG1 LYS 4 10.686 2.670 -11.740 465 HD2 LYS 4 HD2 LYS 4 8.935 4.421 -11.891 466 HD3 LYS 4 HD1 LYS 4 9.648 5.001 -13.402 467 HE2 LYS 4 HE2 LYS 4 8.472 2.232 -12.951 468 HE3 LYS 4 HE1 LYS 4 7.686 3.560 -13.807 469 HZ1 LYS 4 HZ1 LYS 4 8.694 2.058 -15.363 470 HZ2 LYS 4 HZ2 LYS 4 10.203 2.201 -14.616 471 HZ3 LYS 4 HZ3 LYS 4 9.520 3.532 -15.412 472 H GLN 5 HN GLN 5 14.588 3.480 -9.063 473 HA GLN 5 HA GLN 5 13.349 1.028 -8.159 474 HB2 GLN 5 HB2 GLN 5 15.849 1.404 -8.268 475 HB3 GLN 5 HB1 GLN 5 15.700 2.538 -6.934 476 HG2 GLN 5 HG2 GLN 5 16.479 0.358 -6.161 477 HG3 GLN 5 HG1 GLN 5 14.903 0.741 -5.468 478 HE21 GLN 5 HE21 GLN 5 16.623 -1.283 -7.754 479 HE22 GLN 5 HE22 GLN 5 15.378 -2.461 -7.947 480 H THR 6 HN THR 6 12.481 0.638 -6.081 481 HA THR 6 HA THR 6 11.013 2.955 -5.013 482 HB THR 6 HB THR 6 9.392 1.239 -4.157 483 HG1 THR 6 HG1 THR 6 10.608 -0.584 -3.919 484 HG21 THR 6 HG21 THR 6 9.984 0.984 -7.136 485 HG22 THR 6 HG22 THR 6 8.993 2.237 -6.385 486 HG23 THR 6 HG23 THR 6 8.462 0.554 -6.348 487 H ALA 7 HN ALA 7 10.233 2.563 -2.715 488 HA ALA 7 HA ALA 7 11.816 1.109 -0.833 489 HB1 ALA 7 HB1 ALA 7 13.294 3.075 -1.114 490 HB2 ALA 7 HB2 ALA 7 12.575 3.045 0.497 491 HB3 ALA 7 HB3 ALA 7 11.946 4.150 -0.731 492 H ARG 8 HN ARG 8 10.841 1.240 1.292 493 HA ARG 8 HA ARG 8 7.956 1.843 1.185 494 HB2 ARG 8 HB2 ARG 8 8.644 -0.460 1.795 495 HB3 ARG 8 HB1 ARG 8 9.591 0.158 3.136 496 HG2 ARG 8 HG2 ARG 8 7.441 -0.865 3.836 497 HG3 ARG 8 HG1 ARG 8 7.584 0.825 4.327 498 HD2 ARG 8 HD2 ARG 8 6.074 1.539 2.601 499 HD3 ARG 8 HD1 ARG 8 6.127 -0.040 1.814 500 HE ARG 8 HE ARG 8 4.990 -0.906 3.865 501 HH11 ARG 8 HH11 ARG 8 4.584 2.480 3.047 502 HH12 ARG 8 HH12 ARG 8 2.958 2.547 3.639 503 HH21 ARG 8 HH21 ARG 8 2.860 -0.812 4.615 504 HH22 ARG 8 HH22 ARG 8 1.988 0.685 4.536 505 H M3L 9 HN M3L 9 6.990 3.234 2.641 506 HA M3L 9 HA M3L 9 8.637 4.933 4.337 507 HB2 M3L 9 HB2 M3L 9 5.618 4.931 3.882 508 HB3 M3L 9 HB1 M3L 9 6.526 6.162 4.769 509 HG2 M3L 9 HG2 M3L 9 7.823 6.599 2.630 510 HG3 M3L 9 HG1 M3L 9 6.676 5.541 1.796 511 HD2 M3L 9 HD2 M3L 9 4.821 7.061 2.431 512 HD3 M3L 9 HD1 M3L 9 5.963 8.094 3.303 513 HE2 M3L 9 HE2 M3L 9 7.193 8.420 1.106 514 HE3 M3L 9 HE1 M3L 9 5.866 7.576 0.308 515 HM11 M3L 9 HH33 M3L 9 5.399 9.568 -1.118 516 HM12 M3L 9 HH31 M3L 9 6.760 10.397 -0.354 517 HM13 M3L 9 HH32 M3L 9 5.170 11.155 -0.380 518 HM21 M3L 9 HH11 M3L 9 5.511 10.049 3.143 519 HM22 M3L 9 HH12 M3L 9 5.259 11.440 2.083 520 HM23 M3L 9 HH13 M3L 9 6.841 10.660 2.150 521 HM31 M3L 9 HH21 M3L 9 3.305 10.214 1.009 522 HM32 M3L 9 HH22 M3L 9 3.590 8.822 2.057 523 HM33 M3L 9 HH23 M3L 9 3.551 8.616 0.304 524 H SER 10 HN SER 10 8.427 5.080 6.595 525 HA SER 10 HA SER 10 8.305 2.699 8.022 526 HB2 SER 10 HB2 SER 10 9.518 4.710 8.803 527 HB3 SER 10 HB1 SER 10 7.990 5.538 9.087 528 HG SER 10 HG SER 10 9.318 3.795 10.657 529 H THR 11 HN THR 11 6.479 1.517 7.795 530 HA THR 11 HA THR 11 3.813 2.569 7.820 531 HB THR 11 HB THR 11 4.194 0.765 6.336 532 HG1 THR 11 HG1 THR 11 2.857 -0.555 8.456 533 HG21 THR 11 HG21 THR 11 4.967 -1.488 6.971 534 HG22 THR 11 HG22 THR 11 5.197 -0.946 8.633 535 HG23 THR 11 HG23 THR 11 6.190 -0.267 7.342 536 H GLY 12 HN GLY 12 3.696 3.563 9.856 537 HA2 GLY 12 HA2 GLY 12 2.809 3.717 11.958 538 HA3 GLY 12 HA1 GLY 12 2.448 2.004 11.893 539 H GLY 13 HN GLY 13 4.167 0.483 12.466 540 HA2 GLY 13 HA2 GLY 13 5.842 -0.301 13.851 541 HA3 GLY 13 HA1 GLY 13 6.471 1.341 14.003 542 H LYS 14 HN LYS 14 5.072 2.831 15.244 543 HA LYS 14 HA LYS 14 3.032 1.840 17.013 544 HB2 LYS 14 HB2 LYS 14 5.018 1.330 18.391 545 HB3 LYS 14 HB1 LYS 14 5.657 2.947 18.133 546 HG2 LYS 14 HG2 LYS 14 3.758 3.897 19.424 547 HG3 LYS 14 HG1 LYS 14 3.128 2.269 19.684 548 HD2 LYS 14 HD2 LYS 14 4.390 3.140 21.651 549 HD3 LYS 14 HD1 LYS 14 5.095 1.660 20.991 550 HE2 LYS 14 HE2 LYS 14 6.831 2.976 19.846 551 HE3 LYS 14 HE1 LYS 14 6.107 4.476 20.431 552 HZ1 LYS 14 HZ1 LYS 14 6.601 3.822 22.673 553 HZ2 LYS 14 HZ2 LYS 14 8.013 3.764 21.745 554 HZ3 LYS 14 HZ3 LYS 14 7.213 2.334 22.151 555 H ALA 15 HN ALA 15 1.679 3.274 16.003 556 HA ALA 15 HA ALA 15 2.209 6.170 16.204 557 HB1 ALA 15 HB1 ALA 15 1.566 6.500 13.846 558 HB2 ALA 15 HB2 ALA 15 1.395 4.756 13.629 559 HB3 ALA 15 HB3 ALA 15 2.982 5.450 13.962 Start of MODEL 17 1 H1 GLY 1 HT1 GLY 1 3.887 0.684 2.414 2 H2 GLY 1 HT2 GLY 1 3.434 -0.052 0.963 3 H3 GLY 1 HT3 GLY 1 2.269 0.715 1.930 4 HA2 GLY 1 HA1 GLY 1 2.828 2.103 0.045 5 HA3 GLY 1 HA2 GLY 1 3.322 2.847 1.557 6 H GLU 2 HN GLU 2 4.552 0.644 -0.965 7 HA GLU 2 HA GLU 2 7.305 1.569 -0.615 8 HB2 GLU 2 HB2 GLU 2 6.140 -0.558 -2.474 9 HB3 GLU 2 HB1 GLU 2 7.845 -0.169 -2.339 10 HG2 GLU 2 HG2 GLU 2 7.548 -2.137 -1.085 11 HG3 GLU 2 HG1 GLU 2 7.715 -0.844 0.097 12 H PHE 3 HN PHE 3 7.334 3.623 -1.367 13 HA PHE 3 HA PHE 3 6.179 4.288 -3.990 14 HB2 PHE 3 HB2 PHE 3 7.442 6.098 -1.871 15 HB3 PHE 3 HB1 PHE 3 6.601 6.637 -3.322 16 HD1 PHE 3 HD1 PHE 3 4.114 5.942 -3.584 17 HD2 PHE 3 HD2 PHE 3 6.195 5.779 0.146 18 HE1 PHE 3 HE1 PHE 3 1.973 5.899 -2.384 19 HE2 PHE 3 HE2 PHE 3 4.040 5.736 1.339 20 HZ PHE 3 HZ PHE 3 1.929 5.790 0.073 21 H VAL 4 HN VAL 4 7.460 5.460 -5.544 22 HA VAL 4 HA VAL 4 10.135 4.390 -5.839 23 HB VAL 4 HB VAL 4 8.762 4.425 -7.831 24 HG11 VAL 4 HG11 VAL 4 7.948 6.480 -8.932 25 HG12 VAL 4 HG12 VAL 4 8.543 7.445 -7.579 26 HG13 VAL 4 HG13 VAL 4 7.244 6.280 -7.325 27 HG21 VAL 4 HG21 VAL 4 11.195 4.725 -8.159 28 HG22 VAL 4 HG22 VAL 4 10.996 6.480 -8.124 29 HG23 VAL 4 HG23 VAL 4 10.280 5.538 -9.433 30 H VAL 5 HN VAL 5 11.889 5.342 -5.161 31 HA VAL 5 HA VAL 5 11.973 8.213 -4.511 32 HB VAL 5 HB VAL 5 12.590 6.956 -2.576 33 HG11 VAL 5 HG11 VAL 5 14.284 5.164 -2.501 34 HG12 VAL 5 HG12 VAL 5 14.510 5.301 -4.250 35 HG13 VAL 5 HG13 VAL 5 12.962 4.756 -3.601 36 HG21 VAL 5 HG21 VAL 5 15.198 7.830 -3.886 37 HG22 VAL 5 HG22 VAL 5 14.954 7.572 -2.156 38 HG23 VAL 5 HG23 VAL 5 14.091 8.869 -2.983 39 H GLU 6 HN GLU 6 13.225 9.555 -5.648 40 HA GLU 6 HA GLU 6 14.471 8.798 -8.090 41 HB2 GLU 6 HB2 GLU 6 13.448 11.040 -7.718 42 HB3 GLU 6 HB1 GLU 6 14.698 11.419 -6.541 43 HG2 GLU 6 HG2 GLU 6 16.414 11.377 -8.263 44 HG3 GLU 6 HG1 GLU 6 15.260 10.794 -9.456 45 H LYS 7 HN LYS 7 15.744 9.825 -4.908 46 HA LYS 7 HA LYS 7 18.224 8.429 -5.194 47 HB2 LYS 7 HB2 LYS 7 19.734 10.385 -5.286 48 HB3 LYS 7 HB1 LYS 7 18.712 10.302 -6.719 49 HG2 LYS 7 HG2 LYS 7 17.236 12.050 -5.793 50 HG3 LYS 7 HG1 LYS 7 18.244 12.142 -4.341 51 HD2 LYS 7 HD2 LYS 7 19.150 12.762 -7.177 52 HD3 LYS 7 HD1 LYS 7 18.743 13.961 -5.946 53 HE2 LYS 7 HE2 LYS 7 20.639 13.220 -4.565 54 HE3 LYS 7 HE1 LYS 7 21.011 11.940 -5.727 55 HZ1 LYS 7 HZ1 LYS 7 22.418 13.882 -5.993 56 HZ2 LYS 7 HZ2 LYS 7 21.071 14.845 -6.310 57 HZ3 LYS 7 HZ3 LYS 7 21.497 13.602 -7.375 58 H VAL 8 HN VAL 8 19.657 8.728 -3.371 59 HA VAL 8 HA VAL 8 18.441 9.635 -0.886 60 HB VAL 8 HB VAL 8 21.269 8.603 -1.438 61 HG11 VAL 8 HG11 VAL 8 19.871 8.950 1.250 62 HG12 VAL 8 HG12 VAL 8 21.107 10.032 0.601 63 HG13 VAL 8 HG13 VAL 8 21.513 8.362 0.978 64 HG21 VAL 8 HG21 VAL 8 18.879 7.074 -0.311 65 HG22 VAL 8 HG22 VAL 8 20.519 6.442 -0.480 66 HG23 VAL 8 HG23 VAL 8 19.582 6.857 -1.917 67 H LEU 9 HN LEU 9 18.901 11.536 0.073 68 HA LEU 9 HA LEU 9 20.583 13.520 -1.307 69 HB2 LEU 9 HB2 LEU 9 18.432 13.883 0.819 70 HB3 LEU 9 HB1 LEU 9 19.367 15.192 0.106 71 HG LEU 9 HG LEU 9 17.347 13.421 -1.331 72 HD11 LEU 9 HD11 LEU 9 17.222 16.383 -0.672 73 HD12 LEU 9 HD12 LEU 9 16.295 15.097 0.105 74 HD13 LEU 9 HD13 LEU 9 16.027 15.465 -1.594 75 HD21 LEU 9 HD21 LEU 9 19.048 15.655 -2.494 76 HD22 LEU 9 HD22 LEU 9 17.732 14.819 -3.324 77 HD23 LEU 9 HD23 LEU 9 19.181 13.933 -2.862 78 H ASP 10 HN ASP 10 20.019 11.995 1.862 79 HA ASP 10 HA ASP 10 22.623 12.865 2.833 80 HB2 ASP 10 HB2 ASP 10 20.890 14.725 3.309 81 HB3 ASP 10 HB1 ASP 10 20.132 13.609 4.436 82 H ARG 11 HN ARG 11 23.037 11.955 5.063 83 HA ARG 11 HA ARG 11 21.681 9.382 5.571 84 HB2 ARG 11 HB2 ARG 11 23.661 9.078 4.017 85 HB3 ARG 11 HB1 ARG 11 24.700 9.746 5.270 86 HG2 ARG 11 HG2 ARG 11 24.069 7.833 6.756 87 HG3 ARG 11 HG1 ARG 11 23.107 7.157 5.431 88 HD2 ARG 11 HD2 ARG 11 25.216 7.121 4.032 89 HD3 ARG 11 HD1 ARG 11 26.113 7.609 5.475 90 HE ARG 11 HE ARG 11 24.536 5.103 5.376 91 HH11 ARG 11 HH11 ARG 11 27.597 6.714 6.022 92 HH12 ARG 11 HH12 ARG 11 28.370 5.271 6.587 93 HH21 ARG 11 HH21 ARG 11 25.562 3.218 6.095 94 HH22 ARG 11 HH22 ARG 11 27.212 3.285 6.624 95 H ARG 12 HN ARG 12 21.333 9.167 7.718 96 HA ARG 12 HA ARG 12 23.103 10.498 9.692 97 HB2 ARG 12 HB2 ARG 12 21.241 11.051 11.088 98 HB3 ARG 12 HB1 ARG 12 20.752 11.540 9.468 99 HG2 ARG 12 HG2 ARG 12 19.510 9.323 9.299 100 HG3 ARG 12 HG1 ARG 12 19.833 9.095 11.020 101 HD2 ARG 12 HD2 ARG 12 18.268 11.393 9.784 102 HD3 ARG 12 HD1 ARG 12 17.577 9.993 10.610 103 HE ARG 12 HE ARG 12 19.355 11.908 12.009 104 HH11 ARG 12 HH11 ARG 12 16.352 10.105 11.853 105 HH12 ARG 12 HH12 ARG 12 15.746 10.752 13.342 106 HH21 ARG 12 HH21 ARG 12 18.543 12.755 13.968 107 HH22 ARG 12 HH22 ARG 12 16.984 12.254 14.533 108 H VAL 13 HN VAL 13 23.127 9.393 11.795 109 HA VAL 13 HA VAL 13 22.581 6.483 11.697 110 HB VAL 13 HB VAL 13 25.030 7.791 12.989 111 HG11 VAL 13 HG11 VAL 13 25.774 5.444 13.428 112 HG12 VAL 13 HG12 VAL 13 24.243 4.841 12.787 113 HG13 VAL 13 HG13 VAL 13 24.259 5.814 14.260 114 HG21 VAL 13 HG21 VAL 13 25.239 7.777 10.528 115 HG22 VAL 13 HG22 VAL 13 24.886 6.048 10.491 116 HG23 VAL 13 HG23 VAL 13 26.369 6.628 11.254 117 H VAL 14 HN VAL 14 20.990 6.128 13.130 118 HA VAL 14 HA VAL 14 20.969 7.540 15.726 119 HB VAL 14 HB VAL 14 18.460 7.149 15.679 120 HG11 VAL 14 HG11 VAL 14 17.969 9.131 14.290 121 HG12 VAL 14 HG12 VAL 14 19.563 9.002 13.539 122 HG13 VAL 14 HG13 VAL 14 19.424 9.372 15.261 123 HG21 VAL 14 HG21 VAL 14 18.309 5.418 13.939 124 HG22 VAL 14 HG22 VAL 14 18.901 6.553 12.725 125 HG23 VAL 14 HG23 VAL 14 17.329 6.818 13.486 126 H ASN 15 HN ASN 15 21.241 6.238 17.398 127 HA ASN 15 HA ASN 15 21.382 4.461 18.784 128 HB2 ASN 15 HB2 ASN 15 19.113 3.299 17.107 129 HB3 ASN 15 HB1 ASN 15 19.584 2.762 18.718 130 HD21 ASN 15 HD21 ASN 15 17.944 5.212 16.883 131 HD22 ASN 15 HD22 ASN 15 17.237 6.046 18.221 132 H GLY 16 HN GLY 16 22.913 4.489 16.213 133 HA2 GLY 16 HA2 GLY 16 24.727 3.104 15.615 134 HA3 GLY 16 HA1 GLY 16 23.868 1.701 16.238 135 H LYS 17 HN LYS 17 21.390 2.688 14.719 136 HA LYS 17 HA LYS 17 21.919 1.254 12.239 137 HB2 LYS 17 HB2 LYS 17 19.625 0.923 12.075 138 HB3 LYS 17 HB1 LYS 17 19.716 1.210 13.807 139 HG2 LYS 17 HG2 LYS 17 19.096 3.603 13.387 140 HG3 LYS 17 HG1 LYS 17 18.875 3.212 11.680 141 HD2 LYS 17 HD2 LYS 17 17.310 2.032 14.022 142 HD3 LYS 17 HD1 LYS 17 16.713 3.227 12.870 143 HE2 LYS 17 HE2 LYS 17 16.859 1.607 11.053 144 HE3 LYS 17 HE1 LYS 17 17.597 0.417 12.120 145 HZ1 LYS 17 HZ1 LYS 17 14.853 1.500 12.387 146 HZ2 LYS 17 HZ2 LYS 17 15.565 0.339 13.396 147 HZ3 LYS 17 HZ3 LYS 17 15.262 -0.015 11.766 148 H VAL 18 HN VAL 18 21.072 2.246 10.171 149 HA VAL 18 HA VAL 18 21.850 5.104 10.009 150 HB VAL 18 HB VAL 18 22.243 2.945 7.884 151 HG11 VAL 18 HG11 VAL 18 23.216 5.827 8.000 152 HG12 VAL 18 HG12 VAL 18 21.960 5.189 6.934 153 HG13 VAL 18 HG13 VAL 18 23.629 4.656 6.743 154 HG21 VAL 18 HG21 VAL 18 23.737 2.489 9.788 155 HG22 VAL 18 HG22 VAL 18 24.331 4.152 9.752 156 HG23 VAL 18 HG23 VAL 18 24.672 3.064 8.403 157 H GLU 19 HN GLU 19 20.250 6.399 9.315 158 HA GLU 19 HA GLU 19 18.143 5.368 7.501 159 HB2 GLU 19 HB2 GLU 19 18.093 7.929 9.161 160 HB3 GLU 19 HB1 GLU 19 16.788 7.322 8.142 161 HG2 GLU 19 HG2 GLU 19 16.621 5.328 9.621 162 HG3 GLU 19 HG1 GLU 19 17.845 6.035 10.679 163 H TYR 20 HN TYR 20 17.552 6.679 5.709 164 HA TYR 20 HA TYR 20 19.612 8.533 4.676 165 HB2 TYR 20 HB2 TYR 20 18.171 6.310 3.132 166 HB3 TYR 20 HB1 TYR 20 19.192 7.533 2.400 167 HD1 TYR 20 HD2 TYR 20 19.292 4.629 4.789 168 HD2 TYR 20 HD1 TYR 20 21.547 7.193 2.233 169 HE1 TYR 20 HE2 TYR 20 21.264 3.189 5.062 170 HE2 TYR 20 HE1 TYR 20 23.507 5.760 2.500 171 HH TYR 20 HH TYR 20 23.345 2.668 3.963 172 H PHE 21 HN PHE 21 18.724 10.442 4.040 173 HA PHE 21 HA PHE 21 15.867 10.879 4.074 174 HB2 PHE 21 HB2 PHE 21 17.582 12.594 4.856 175 HB3 PHE 21 HB1 PHE 21 18.068 12.813 3.178 176 HD1 PHE 21 HD2 PHE 21 14.891 12.737 5.186 177 HD2 PHE 21 HD1 PHE 21 17.127 14.701 2.116 178 HE1 PHE 21 HE2 PHE 21 13.106 14.398 4.942 179 HE2 PHE 21 HE1 PHE 21 15.329 16.362 1.881 180 HZ PHE 21 HZ PHE 21 13.316 16.211 3.292 181 H LEU 22 HN LEU 22 14.696 10.219 2.415 182 HA LEU 22 HA LEU 22 15.914 9.739 -0.198 183 HB2 LEU 22 HB2 LEU 22 13.229 8.916 0.974 184 HB3 LEU 22 HB1 LEU 22 13.814 8.457 -0.621 185 HG LEU 22 HG LEU 22 14.935 7.590 2.068 186 HD11 LEU 22 HD11 LEU 22 12.920 6.431 1.314 187 HD12 LEU 22 HD12 LEU 22 14.312 5.365 1.330 188 HD13 LEU 22 HD13 LEU 22 13.713 5.998 -0.203 189 HD21 LEU 22 HD21 LEU 22 16.627 6.269 0.838 190 HD22 LEU 22 HD22 LEU 22 16.852 7.997 0.592 191 HD23 LEU 22 HD23 LEU 22 16.118 7.017 -0.680 192 H LYS 23 HN LYS 23 15.725 11.313 -1.696 193 HA LYS 23 HA LYS 23 13.516 13.133 -1.857 194 HB2 LYS 23 HB2 LYS 23 16.013 13.346 -2.846 195 HB3 LYS 23 HB1 LYS 23 15.319 12.550 -4.247 196 HG2 LYS 23 HG2 LYS 23 14.459 15.207 -3.046 197 HG3 LYS 23 HG1 LYS 23 15.350 14.976 -4.554 198 HD2 LYS 23 HD2 LYS 23 13.360 13.818 -5.516 199 HD3 LYS 23 HD1 LYS 23 12.481 14.087 -4.008 200 HE2 LYS 23 HE2 LYS 23 12.615 16.523 -4.324 201 HE3 LYS 23 HE1 LYS 23 13.555 16.299 -5.803 202 HZ1 LYS 23 HZ1 LYS 23 10.817 15.239 -5.423 203 HZ2 LYS 23 HZ2 LYS 23 11.715 15.286 -6.854 204 HZ3 LYS 23 HZ3 LYS 23 11.162 16.723 -6.159 205 H TRP 24 HN TRP 24 11.682 11.876 -1.924 206 HA TRP 24 HA TRP 24 11.270 9.627 -3.600 207 HB2 TRP 24 HB2 TRP 24 9.196 11.473 -2.328 208 HB3 TRP 24 HB1 TRP 24 8.868 9.890 -3.018 209 HD1 TRP 24 HD1 TRP 24 9.972 11.563 0.140 210 HE1 TRP 24 HE1 TRP 24 10.299 9.806 1.973 211 HE3 TRP 24 HE3 TRP 24 9.770 7.354 -2.732 212 HZ2 TRP 24 HZ2 TRP 24 10.442 7.030 2.192 213 HZ3 TRP 24 HZ3 TRP 24 10.008 5.171 -1.624 214 HH2 TRP 24 HH2 TRP 24 10.341 5.013 0.790 215 H LYS 25 HN LYS 25 10.621 9.491 -5.672 216 HA LYS 25 HA LYS 25 10.353 11.754 -7.366 217 HB2 LYS 25 HB2 LYS 25 10.239 8.799 -7.692 218 HB3 LYS 25 HB1 LYS 25 9.219 9.668 -8.834 219 HG2 LYS 25 HG2 LYS 25 11.135 11.033 -9.514 220 HG3 LYS 25 HG1 LYS 25 12.169 10.139 -8.397 221 HD2 LYS 25 HD2 LYS 25 11.608 8.033 -9.703 222 HD3 LYS 25 HD1 LYS 25 10.781 9.063 -10.882 223 HE2 LYS 25 HE2 LYS 25 13.739 9.075 -10.174 224 HE3 LYS 25 HE1 LYS 25 13.006 8.616 -11.714 225 HZ1 LYS 25 HZ1 LYS 25 13.083 11.346 -10.527 226 HZ2 LYS 25 HZ2 LYS 25 12.234 10.942 -11.931 227 HZ3 LYS 25 HZ3 LYS 25 13.917 10.813 -11.898 228 H GLY 26 HN GLY 26 8.646 12.847 -8.009 229 HA2 GLY 26 HA2 GLY 26 6.443 13.318 -8.493 230 HA3 GLY 26 HA1 GLY 26 5.934 11.894 -7.609 231 H PHE 27 HN PHE 27 7.509 12.609 -5.220 232 HA PHE 27 HA PHE 27 5.569 14.411 -3.965 233 HB2 PHE 27 HB2 PHE 27 7.736 12.663 -2.701 234 HB3 PHE 27 HB1 PHE 27 6.468 13.527 -1.835 235 HD1 PHE 27 HD1 PHE 27 4.087 12.759 -2.000 236 HD2 PHE 27 HD2 PHE 27 7.264 10.539 -3.799 237 HE1 PHE 27 HE1 PHE 27 2.618 10.798 -2.195 238 HE2 PHE 27 HE2 PHE 27 5.792 8.586 -3.986 239 HZ PHE 27 HZ PHE 27 3.465 8.711 -3.190 240 H THR 28 HN THR 28 6.185 16.188 -2.690 241 HA THR 28 HA THR 28 8.313 17.796 -3.722 242 HB THR 28 HB THR 28 7.575 19.404 -1.821 243 HG1 THR 28 HG1 THR 28 5.365 17.623 -1.598 244 HG21 THR 28 HG21 THR 28 5.469 18.525 -3.834 245 HG22 THR 28 HG22 THR 28 6.753 19.702 -4.124 246 HG23 THR 28 HG23 THR 28 5.479 20.054 -2.953 247 H ASP 29 HN ASP 29 9.915 18.902 -2.364 248 HA ASP 29 HA ASP 29 11.665 17.073 -1.104 249 HB2 ASP 29 HB2 ASP 29 13.133 19.032 -0.748 250 HB3 ASP 29 HB1 ASP 29 12.497 18.991 -2.388 251 H ALA 30 HN ALA 30 9.333 19.352 0.158 252 HA ALA 30 HA ALA 30 10.120 19.179 2.922 253 HB1 ALA 30 HB1 ALA 30 8.018 20.395 3.367 254 HB2 ALA 30 HB2 ALA 30 7.512 20.150 1.692 255 HB3 ALA 30 HB3 ALA 30 8.925 21.145 2.051 256 H ASP 31 HN ASP 31 8.068 17.315 0.790 257 HA ASP 31 HA ASP 31 6.769 15.801 2.933 258 HB2 ASP 31 HB2 ASP 31 5.506 16.480 0.868 259 HB3 ASP 31 HB1 ASP 31 6.565 15.453 -0.092 260 H ASN 32 HN ASN 32 9.657 15.648 1.099 261 HA ASN 32 HA ASN 32 10.087 12.856 1.014 262 HB2 ASN 32 HB2 ASN 32 12.095 15.138 1.109 263 HB3 ASN 32 HB1 ASN 32 12.543 13.457 0.855 264 HD21 ASN 32 HD21 ASN 32 10.000 13.083 -0.821 265 HD22 ASN 32 HD22 ASN 32 10.409 13.787 -2.339 266 H THR 33 HN THR 33 11.288 11.476 2.427 267 HA THR 33 HA THR 33 11.290 12.321 5.276 268 HB THR 33 HB THR 33 10.146 10.109 5.840 269 HG1 THR 33 HG1 THR 33 9.831 8.783 4.239 270 HG21 THR 33 HG21 THR 33 7.855 10.876 5.347 271 HG22 THR 33 HG22 THR 33 8.488 12.033 4.174 272 HG23 THR 33 HG23 THR 33 8.863 12.224 5.887 273 H TRP 34 HN TRP 34 12.387 10.881 6.712 274 HA TRP 34 HA TRP 34 14.772 9.610 5.658 275 HB2 TRP 34 HB2 TRP 34 13.715 9.912 8.512 276 HB3 TRP 34 HB1 TRP 34 15.258 9.162 8.106 277 HD1 TRP 34 HD1 TRP 34 13.604 12.595 8.444 278 HE1 TRP 34 HE1 TRP 34 15.439 14.388 8.285 279 HE3 TRP 34 HE3 TRP 34 17.507 9.635 6.984 280 HZ2 TRP 34 HZ2 TRP 34 18.178 14.530 7.637 281 HZ3 TRP 34 HZ3 TRP 34 19.706 10.672 6.607 282 HH2 TRP 34 HH2 TRP 34 20.029 13.074 6.930 283 H GLU 35 HN GLU 35 14.763 7.537 5.014 284 HA GLU 35 HA GLU 35 13.124 5.575 6.506 285 HB2 GLU 35 HB2 GLU 35 14.005 5.383 3.605 286 HB3 GLU 35 HB1 GLU 35 13.120 4.146 4.489 287 HG2 GLU 35 HG2 GLU 35 12.146 6.871 3.610 288 HG3 GLU 35 HG1 GLU 35 11.552 5.294 3.101 289 HA PRO 36 HA PRO 36 17.134 3.922 7.699 290 HB2 PRO 36 HB2 PRO 36 16.217 1.451 8.616 291 HB3 PRO 36 HB1 PRO 36 16.217 2.945 9.558 292 HG2 PRO 36 HG2 PRO 36 13.965 1.652 8.052 293 HG3 PRO 36 HG1 PRO 36 13.938 2.461 9.633 294 HD2 PRO 36 HD2 PRO 36 13.054 3.674 7.369 295 HD3 PRO 36 HD1 PRO 36 13.824 4.595 8.674 296 H GLU 37 HN GLU 37 18.503 2.154 7.149 297 HA GLU 37 HA GLU 37 18.822 1.668 4.442 298 HB2 GLU 37 HB2 GLU 37 20.608 0.071 5.218 299 HB3 GLU 37 HB1 GLU 37 20.657 1.648 6.001 300 HG2 GLU 37 HG2 GLU 37 19.366 0.596 7.936 301 HG3 GLU 37 HG1 GLU 37 19.673 -0.968 7.177 302 H GLU 38 HN GLU 38 17.023 -0.177 6.760 303 HA GLU 38 HA GLU 38 16.833 -2.670 5.325 304 HB2 GLU 38 HB2 GLU 38 15.226 -3.276 7.146 305 HB3 GLU 38 HB1 GLU 38 16.751 -2.647 7.760 306 HG2 GLU 38 HG2 GLU 38 15.583 -0.393 8.019 307 HG3 GLU 38 HG1 GLU 38 14.072 -1.227 7.658 308 H ASN 39 HN ASN 39 14.956 0.292 5.472 309 HA ASN 39 HA ASN 39 12.563 -0.732 4.219 310 HB2 ASN 39 HB2 ASN 39 13.536 2.084 4.841 311 HB3 ASN 39 HB1 ASN 39 12.021 1.777 3.997 312 HD21 ASN 39 HD21 ASN 39 10.808 2.720 5.603 313 HD22 ASN 39 HD22 ASN 39 10.572 2.000 7.158 314 H LEU 40 HN LEU 40 15.617 0.392 3.089 315 HA LEU 40 HA LEU 40 14.785 1.440 0.549 316 HB2 LEU 40 HB2 LEU 40 17.553 0.456 1.351 317 HB3 LEU 40 HB1 LEU 40 17.158 1.551 0.028 318 HG LEU 40 HG LEU 40 16.966 2.140 3.009 319 HD11 LEU 40 HD11 LEU 40 18.691 3.827 2.549 320 HD12 LEU 40 HD12 LEU 40 18.781 3.287 0.871 321 HD13 LEU 40 HD13 LEU 40 19.240 2.195 2.181 322 HD21 LEU 40 HD21 LEU 40 16.286 4.430 2.405 323 HD22 LEU 40 HD22 LEU 40 15.094 3.237 1.898 324 HD23 LEU 40 HD23 LEU 40 16.181 3.956 0.706 325 H ASP 41 HN ASP 41 13.971 0.168 -1.033 326 HA ASP 41 HA ASP 41 14.903 -2.598 -1.445 327 HB2 ASP 41 HB2 ASP 41 12.722 -0.994 -2.869 328 HB3 ASP 41 HB1 ASP 41 13.097 -2.685 -3.174 329 H CYS 42 HN CYS 42 15.916 0.432 -2.299 330 HA CYS 42 HA CYS 42 16.693 -0.136 -5.089 331 HB2 CYS 42 HB2 CYS 42 17.187 2.348 -5.110 332 HB3 CYS 42 HB1 CYS 42 15.508 1.950 -4.763 333 HG CYS 42 HG CYS 42 17.602 2.475 -2.148 334 HA PRO 43 HA PRO 43 20.801 -0.848 -2.998 335 HB2 PRO 43 HB2 PRO 43 21.839 -2.606 -4.783 336 HB3 PRO 43 HB1 PRO 43 20.622 -3.101 -3.596 337 HG2 PRO 43 HG2 PRO 43 20.243 -2.374 -6.507 338 HG3 PRO 43 HG1 PRO 43 19.580 -3.758 -5.611 339 HD2 PRO 43 HD2 PRO 43 18.136 -1.478 -6.094 340 HD3 PRO 43 HD1 PRO 43 17.879 -2.486 -4.653 341 H GLU 44 HN GLU 44 20.043 0.103 -6.289 342 HA GLU 44 HA GLU 44 22.517 0.931 -7.304 343 HB2 GLU 44 HB2 GLU 44 20.570 0.694 -8.742 344 HB3 GLU 44 HB1 GLU 44 19.674 1.908 -7.841 345 HG2 GLU 44 HG2 GLU 44 20.418 2.774 -10.008 346 HG3 GLU 44 HG1 GLU 44 21.149 3.667 -8.678 347 H LEU 45 HN LEU 45 20.045 2.732 -5.482 348 HA LEU 45 HA LEU 45 21.380 5.261 -5.545 349 HB2 LEU 45 HB2 LEU 45 19.108 4.248 -3.800 350 HB3 LEU 45 HB1 LEU 45 19.654 5.924 -3.833 351 HG LEU 45 HG LEU 45 18.440 4.396 -6.172 352 HD11 LEU 45 HD11 LEU 45 16.766 4.950 -4.513 353 HD12 LEU 45 HD12 LEU 45 16.552 5.961 -5.938 354 HD13 LEU 45 HD13 LEU 45 17.289 6.637 -4.481 355 HD21 LEU 45 HD21 LEU 45 18.513 6.579 -7.368 356 HD22 LEU 45 HD22 LEU 45 20.111 5.934 -7.018 357 HD23 LEU 45 HD23 LEU 45 19.465 7.256 -6.042 358 H ILE 46 HN ILE 46 21.314 2.583 -3.249 359 HA ILE 46 HA ILE 46 22.610 3.893 -1.080 360 HB ILE 46 HB ILE 46 22.592 0.912 -1.790 361 HG12 ILE 46 HG12 ILE 46 20.770 2.490 0.086 362 HG13 ILE 46 HG11 ILE 46 20.310 1.862 -1.493 363 HG21 ILE 46 HG21 ILE 46 23.115 0.489 0.590 364 HG22 ILE 46 HG22 ILE 46 23.255 2.222 0.878 365 HG23 ILE 46 HG23 ILE 46 24.402 1.414 -0.191 366 HD11 ILE 46 HD11 ILE 46 21.050 0.226 0.933 367 HD12 ILE 46 HD12 ILE 46 20.633 -0.429 -0.653 368 HD13 ILE 46 HD13 ILE 46 19.434 0.471 0.272 369 H GLU 47 HN GLU 47 23.811 1.769 -3.672 370 HA GLU 47 HA GLU 47 26.545 1.761 -3.059 371 HB2 GLU 47 HB2 GLU 47 25.525 0.143 -4.600 372 HB3 GLU 47 HB1 GLU 47 25.121 1.426 -5.738 373 HG2 GLU 47 HG2 GLU 47 27.546 1.827 -6.115 374 HG3 GLU 47 HG1 GLU 47 27.923 0.524 -4.990 375 H ALA 48 HN ALA 48 24.715 3.788 -5.352 376 HA ALA 48 HA ALA 48 26.907 5.225 -6.411 377 HB1 ALA 48 HB1 ALA 48 23.986 6.029 -6.348 378 HB2 ALA 48 HB2 ALA 48 24.751 5.021 -7.574 379 HB3 ALA 48 HB3 ALA 48 25.232 6.709 -7.406 380 H PHE 49 HN PHE 49 24.772 5.871 -3.661 381 HA PHE 49 HA PHE 49 25.628 8.569 -3.182 382 HB2 PHE 49 HB2 PHE 49 23.448 7.751 -2.371 383 HB3 PHE 49 HB1 PHE 49 24.240 6.560 -1.346 384 HD1 PHE 49 HD1 PHE 49 23.793 10.243 -1.858 385 HD2 PHE 49 HD2 PHE 49 24.938 7.151 0.867 386 HE1 PHE 49 HE1 PHE 49 23.874 11.880 -0.021 387 HE2 PHE 49 HE2 PHE 49 25.017 8.793 2.688 388 HZ PHE 49 HZ PHE 49 24.494 11.149 2.249 389 H LEU 50 HN LEU 50 26.394 5.434 -1.630 390 HA LEU 50 HA LEU 50 28.078 6.533 0.393 391 HB2 LEU 50 HB2 LEU 50 27.715 3.666 -0.572 392 HB3 LEU 50 HB1 LEU 50 28.658 4.106 0.845 393 HG LEU 50 HG LEU 50 25.654 4.481 0.498 394 HD11 LEU 50 HD11 LEU 50 26.291 2.155 0.882 395 HD12 LEU 50 HD12 LEU 50 25.435 2.814 2.272 396 HD13 LEU 50 HD13 LEU 50 27.190 2.614 2.333 397 HD21 LEU 50 HD21 LEU 50 26.558 6.337 1.795 398 HD22 LEU 50 HD22 LEU 50 27.390 5.217 2.877 399 HD23 LEU 50 HD23 LEU 50 25.624 5.259 2.832 400 H ASN 51 HN ASN 51 28.740 5.052 -2.768 401 HA ASN 51 HA ASN 51 31.618 4.924 -2.337 402 HB2 ASN 51 HB2 ASN 51 29.998 4.386 -4.860 403 HB3 ASN 51 HB1 ASN 51 31.728 4.087 -4.691 404 HD21 ASN 51 HD21 ASN 51 29.769 2.168 -5.378 405 HD22 ASN 51 HD22 ASN 51 29.758 0.959 -4.144 406 H SER 52 HN SER 52 29.405 7.298 -3.501 407 HA SER 52 HA SER 52 31.288 8.808 -5.089 408 HB2 SER 52 HB2 SER 52 28.803 8.978 -5.404 409 HB3 SER 52 HB1 SER 52 28.670 9.746 -3.822 410 HG SER 52 HG SER 52 29.768 11.505 -4.579 411 H GLN 53 HN GLN 53 30.760 8.387 -1.730 412 HA GLN 53 HA GLN 53 31.718 10.915 -0.752 413 HB2 GLN 53 HB2 GLN 53 31.507 8.200 0.625 414 HB3 GLN 53 HB1 GLN 53 31.806 9.736 1.439 415 HG2 GLN 53 HG2 GLN 53 29.597 10.548 0.784 416 HG3 GLN 53 HG1 GLN 53 29.302 9.071 -0.135 417 HE21 GLN 53 HE21 GLN 53 27.456 8.591 1.079 418 HE22 GLN 53 HE22 GLN 53 27.541 8.034 2.712 419 H LYS 54 HN LYS 54 33.121 7.629 -0.971 420 HA LYS 54 HA LYS 54 35.756 8.456 -0.194 421 HB2 LYS 54 HB2 LYS 54 36.418 6.093 -0.844 422 HB3 LYS 54 HB1 LYS 54 35.172 6.219 0.391 423 HG2 LYS 54 HG2 LYS 54 33.443 5.632 -1.236 424 HG3 LYS 54 HG1 LYS 54 34.636 5.616 -2.541 425 HD2 LYS 54 HD2 LYS 54 35.820 3.743 -1.396 426 HD3 LYS 54 HD1 LYS 54 34.572 3.735 -0.144 427 HE2 LYS 54 HE2 LYS 54 32.878 3.136 -1.822 428 HE3 LYS 54 HE1 LYS 54 34.093 3.219 -3.102 429 HZ1 LYS 54 HZ1 LYS 54 35.279 1.404 -1.986 430 HZ2 LYS 54 HZ2 LYS 54 33.719 0.960 -2.459 431 HZ3 LYS 54 HZ3 LYS 54 34.048 1.304 -0.839 432 H1 ALA 1 HT1 ALA 1 20.629 2.181 -16.299 433 H2 ALA 1 HT2 ALA 1 21.638 2.726 -15.060 434 H3 ALA 1 HT3 ALA 1 20.083 3.367 -15.237 435 HA ALA 1 HA ALA 1 20.739 0.574 -14.518 436 HB1 ALA 1 HB1 ALA 1 19.762 1.130 -12.317 437 HB2 ALA 1 HB2 ALA 1 19.520 2.799 -12.844 438 HB3 ALA 1 HB3 ALA 1 21.155 2.155 -12.667 439 H ARG 2 HN ARG 2 18.950 -0.794 -14.275 440 HA ARG 2 HA ARG 2 16.301 0.152 -15.232 441 HB2 ARG 2 HB2 ARG 2 15.879 -2.190 -15.958 442 HB3 ARG 2 HB1 ARG 2 17.259 -1.480 -16.789 443 HG2 ARG 2 HG2 ARG 2 18.827 -2.770 -15.502 444 HG3 ARG 2 HG1 ARG 2 17.576 -3.302 -14.377 445 HD2 ARG 2 HD2 ARG 2 18.254 -5.071 -16.003 446 HD3 ARG 2 HD1 ARG 2 16.538 -4.669 -16.085 447 HE ARG 2 HE ARG 2 18.190 -3.238 -17.978 448 HH11 ARG 2 HH11 ARG 2 16.308 -6.159 -17.466 449 HH12 ARG 2 HH12 ARG 2 16.065 -6.436 -19.158 450 HH21 ARG 2 HH21 ARG 2 17.885 -3.637 -20.192 451 HH22 ARG 2 HH22 ARG 2 16.967 -5.017 -20.698 452 H THR 3 HN THR 3 18.057 -1.064 -12.565 453 HA THR 3 HA THR 3 16.206 -2.544 -11.099 454 HB THR 3 HB THR 3 17.454 -1.542 -9.037 455 HG1 THR 3 HG1 THR 3 18.120 0.381 -10.232 456 HG21 THR 3 HG21 THR 3 19.091 -2.921 -11.200 457 HG22 THR 3 HG22 THR 3 18.118 -3.719 -9.964 458 HG23 THR 3 HG23 THR 3 19.548 -2.795 -9.501 459 H LYS 4 HN LYS 4 14.271 -2.047 -10.260 460 HA LYS 4 HA LYS 4 13.080 0.521 -10.410 461 HB2 LYS 4 HB2 LYS 4 12.255 -1.954 -8.823 462 HB3 LYS 4 HB1 LYS 4 11.312 -0.472 -8.815 463 HG2 LYS 4 HG2 LYS 4 10.251 -1.920 -10.353 464 HG3 LYS 4 HG1 LYS 4 11.080 -0.698 -11.319 465 HD2 LYS 4 HD2 LYS 4 12.887 -2.297 -11.822 466 HD3 LYS 4 HD1 LYS 4 12.124 -3.509 -10.786 467 HE2 LYS 4 HE2 LYS 4 10.144 -3.510 -12.283 468 HE3 LYS 4 HE1 LYS 4 10.957 -2.350 -13.340 469 HZ1 LYS 4 HZ1 LYS 4 12.684 -3.974 -13.730 470 HZ2 LYS 4 HZ2 LYS 4 11.172 -4.615 -14.131 471 HZ3 LYS 4 HZ3 LYS 4 11.933 -5.074 -12.694 472 H GLN 5 HN GLN 5 13.706 2.226 -9.236 473 HA GLN 5 HA GLN 5 15.108 1.913 -6.712 474 HB2 GLN 5 HB2 GLN 5 14.289 4.475 -8.126 475 HB3 GLN 5 HB1 GLN 5 15.460 4.313 -6.816 476 HG2 GLN 5 HG2 GLN 5 16.837 2.860 -8.364 477 HG3 GLN 5 HG1 GLN 5 15.723 3.299 -9.658 478 HE21 GLN 5 HE21 GLN 5 15.449 6.086 -8.554 479 HE22 GLN 5 HE22 GLN 5 16.921 6.872 -8.983 480 H THR 6 HN THR 6 13.351 0.879 -5.720 481 HA THR 6 HA THR 6 11.025 2.488 -4.901 482 HB THR 6 HB THR 6 11.508 -0.533 -4.693 483 HG1 THR 6 HG1 THR 6 9.724 0.553 -6.570 484 HG21 THR 6 HG21 THR 6 8.932 1.070 -4.470 485 HG22 THR 6 HG22 THR 6 9.782 0.301 -3.127 486 HG23 THR 6 HG23 THR 6 9.060 -0.689 -4.398 487 H ALA 7 HN ALA 7 10.536 2.601 -2.654 488 HA ALA 7 HA ALA 7 12.117 1.154 -0.714 489 HB1 ALA 7 HB1 ALA 7 12.801 3.136 0.573 490 HB2 ALA 7 HB2 ALA 7 12.126 4.194 -0.672 491 HB3 ALA 7 HB3 ALA 7 13.505 3.159 -1.043 492 H ARG 8 HN ARG 8 11.022 0.794 1.076 493 HA ARG 8 HA ARG 8 8.193 1.347 1.197 494 HB2 ARG 8 HB2 ARG 8 9.383 -0.864 1.734 495 HB3 ARG 8 HB1 ARG 8 9.946 -0.117 3.228 496 HG2 ARG 8 HG2 ARG 8 7.657 0.091 4.036 497 HG3 ARG 8 HG1 ARG 8 7.019 -0.441 2.476 498 HD2 ARG 8 HD2 ARG 8 8.400 -2.618 2.899 499 HD3 ARG 8 HD1 ARG 8 8.466 -2.068 4.571 500 HE ARG 8 HE ARG 8 6.051 -2.227 4.667 501 HH11 ARG 8 HH11 ARG 8 7.521 -3.760 1.860 502 HH12 ARG 8 HH12 ARG 8 6.183 -4.832 1.600 503 HH21 ARG 8 HH21 ARG 8 4.322 -3.642 4.321 504 HH22 ARG 8 HH22 ARG 8 4.364 -4.759 2.995 505 H M3L 9 HN M3L 9 7.217 2.866 2.566 506 HA M3L 9 HA M3L 9 8.891 4.487 4.303 507 HB2 M3L 9 HB2 M3L 9 5.919 4.591 3.673 508 HB3 M3L 9 HB1 M3L 9 6.636 5.578 4.951 509 HG2 M3L 9 HG2 M3L 9 8.237 6.517 3.224 510 HG3 M3L 9 HG1 M3L 9 7.299 5.676 1.981 511 HD2 M3L 9 HD2 M3L 9 5.307 7.006 2.547 512 HD3 M3L 9 HD1 M3L 9 6.161 7.764 3.896 513 HE2 M3L 9 HE2 M3L 9 7.736 8.838 2.329 514 HE3 M3L 9 HE1 M3L 9 6.965 8.035 0.963 515 HM11 M3L 9 HH33 M3L 9 4.920 11.207 3.026 516 HM12 M3L 9 HH31 M3L 9 6.526 10.694 3.558 517 HM13 M3L 9 HH32 M3L 9 5.132 9.652 3.839 518 HM21 M3L 9 HH11 M3L 9 7.384 11.071 1.232 519 HM22 M3L 9 HH12 M3L 9 5.770 11.551 0.694 520 HM23 M3L 9 HH13 M3L 9 6.631 10.251 -0.141 521 HM31 M3L 9 HH21 M3L 9 3.820 10.050 1.066 522 HM32 M3L 9 HH22 M3L 9 4.019 8.496 1.876 523 HM33 M3L 9 HH23 M3L 9 4.652 8.724 0.245 524 H SER 10 HN SER 10 8.767 4.628 6.538 525 HA SER 10 HA SER 10 8.304 2.199 7.968 526 HB2 SER 10 HB2 SER 10 8.903 5.014 8.980 527 HB3 SER 10 HB1 SER 10 8.921 3.561 9.986 528 HG SER 10 HG SER 10 10.626 4.205 7.808 529 H THR 11 HN THR 11 6.245 4.754 7.055 530 HA THR 11 HA THR 11 4.029 3.541 8.506 531 HB THR 11 HB THR 11 4.566 5.301 10.032 532 HG1 THR 11 HG1 THR 11 2.331 5.066 9.426 533 HG21 THR 11 HG21 THR 11 4.753 7.688 9.414 534 HG22 THR 11 HG22 THR 11 4.608 7.265 7.707 535 HG23 THR 11 HG23 THR 11 6.005 6.719 8.636 536 H GLY 12 HN GLY 12 3.357 2.714 6.546 537 HA2 GLY 12 HA2 GLY 12 2.306 4.555 4.496 538 HA3 GLY 12 HA1 GLY 12 2.332 2.794 4.421 539 H GLY 13 HN GLY 13 1.064 5.303 6.597 540 HA2 GLY 13 HA2 GLY 13 -1.136 5.551 7.422 541 HA3 GLY 13 HA1 GLY 13 -1.536 3.929 6.862 542 H LYS 14 HN LYS 14 -2.425 3.901 9.145 543 HA LYS 14 HA LYS 14 -0.460 2.746 10.998 544 HB2 LYS 14 HB2 LYS 14 -1.292 4.065 12.895 545 HB3 LYS 14 HB1 LYS 14 -0.654 5.126 11.646 546 HG2 LYS 14 HG2 LYS 14 -3.079 5.475 10.879 547 HG3 LYS 14 HG1 LYS 14 -3.571 4.645 12.356 548 HD2 LYS 14 HD2 LYS 14 -3.675 7.060 12.702 549 HD3 LYS 14 HD1 LYS 14 -2.385 6.386 13.702 550 HE2 LYS 14 HE2 LYS 14 -0.707 7.131 12.043 551 HE3 LYS 14 HE1 LYS 14 -1.989 7.791 11.026 552 HZ1 LYS 14 HZ1 LYS 14 -1.288 8.692 13.768 553 HZ2 LYS 14 HZ2 LYS 14 -2.562 9.296 12.836 554 HZ3 LYS 14 HZ3 LYS 14 -0.969 9.510 12.321 555 H ALA 15 HN ALA 15 -1.456 1.442 12.669 556 HA ALA 15 HA ALA 15 -4.210 0.519 12.198 557 HB1 ALA 15 HB1 ALA 15 -1.775 -1.320 12.152 558 HB2 ALA 15 HB2 ALA 15 -2.777 -0.893 10.763 559 HB3 ALA 15 HB3 ALA 15 -3.458 -1.843 12.087 Start of MODEL 18 1 H1 GLY 1 HT1 GLY 1 2.347 0.604 2.110 2 H2 GLY 1 HT2 GLY 1 3.906 -0.043 2.143 3 H3 GLY 1 HT3 GLY 1 3.130 0.232 0.667 4 HA2 GLY 1 HA1 GLY 1 3.138 2.615 1.080 5 HA3 GLY 1 HA2 GLY 1 3.952 2.313 2.609 6 H GLU 2 HN GLU 2 4.684 0.459 -0.283 7 HA GLU 2 HA GLU 2 7.390 1.553 -0.410 8 HB2 GLU 2 HB2 GLU 2 6.997 -0.925 -0.576 9 HB3 GLU 2 HB1 GLU 2 6.093 -0.667 -2.066 10 HG2 GLU 2 HG2 GLU 2 8.198 0.340 -3.063 11 HG3 GLU 2 HG1 GLU 2 9.053 -0.150 -1.603 12 H PHE 3 HN PHE 3 7.849 3.202 -1.739 13 HA PHE 3 HA PHE 3 6.454 3.554 -4.312 14 HB2 PHE 3 HB2 PHE 3 5.478 5.160 -2.661 15 HB3 PHE 3 HB1 PHE 3 7.086 5.786 -2.310 16 HD1 PHE 3 HD1 PHE 3 4.646 5.350 -5.117 17 HD2 PHE 3 HD2 PHE 3 7.903 7.633 -3.563 18 HE1 PHE 3 HE1 PHE 3 4.403 6.957 -6.959 19 HE2 PHE 3 HE2 PHE 3 7.651 9.238 -5.406 20 HZ PHE 3 HZ PHE 3 5.907 8.898 -7.105 21 H VAL 4 HN VAL 4 7.744 4.683 -5.902 22 HA VAL 4 HA VAL 4 10.520 4.083 -5.832 23 HB VAL 4 HB VAL 4 9.418 3.980 -7.959 24 HG11 VAL 4 HG11 VAL 4 7.611 5.611 -7.625 25 HG12 VAL 4 HG12 VAL 4 8.451 5.916 -9.147 26 HG13 VAL 4 HG13 VAL 4 8.764 6.943 -7.744 27 HG21 VAL 4 HG21 VAL 4 11.792 4.601 -8.041 28 HG22 VAL 4 HG22 VAL 4 11.374 6.315 -7.968 29 HG23 VAL 4 HG23 VAL 4 10.921 5.358 -9.379 30 H VAL 5 HN VAL 5 11.846 5.140 -4.533 31 HA VAL 5 HA VAL 5 11.714 7.977 -3.994 32 HB VAL 5 HB VAL 5 12.613 6.711 -2.200 33 HG11 VAL 5 HG11 VAL 5 13.206 4.654 -3.396 34 HG12 VAL 5 HG12 VAL 5 14.516 5.162 -2.330 35 HG13 VAL 5 HG13 VAL 5 14.636 5.438 -4.074 36 HG21 VAL 5 HG21 VAL 5 13.822 8.822 -2.517 37 HG22 VAL 5 HG22 VAL 5 14.997 8.028 -3.567 38 HG23 VAL 5 HG23 VAL 5 14.909 7.600 -1.857 39 H GLU 6 HN GLU 6 12.916 9.586 -4.950 40 HA GLU 6 HA GLU 6 13.963 9.254 -7.583 41 HB2 GLU 6 HB2 GLU 6 12.925 11.360 -6.753 42 HB3 GLU 6 HB1 GLU 6 14.260 11.581 -5.637 43 HG2 GLU 6 HG2 GLU 6 15.805 11.821 -7.564 44 HG3 GLU 6 HG1 GLU 6 14.437 11.635 -8.661 45 H LYS 7 HN LYS 7 15.565 10.185 -4.498 46 HA LYS 7 HA LYS 7 17.916 8.639 -4.966 47 HB2 LYS 7 HB2 LYS 7 19.536 10.480 -5.286 48 HB3 LYS 7 HB1 LYS 7 18.383 10.406 -6.614 49 HG2 LYS 7 HG2 LYS 7 17.138 12.309 -5.682 50 HG3 LYS 7 HG1 LYS 7 18.238 12.373 -4.298 51 HD2 LYS 7 HD2 LYS 7 19.009 12.847 -7.211 52 HD3 LYS 7 HD1 LYS 7 18.787 14.099 -5.988 53 HE2 LYS 7 HE2 LYS 7 20.695 13.198 -4.704 54 HE3 LYS 7 HE1 LYS 7 20.899 11.905 -5.887 55 HZ1 LYS 7 HZ1 LYS 7 22.460 13.709 -6.223 56 HZ2 LYS 7 HZ2 LYS 7 21.192 14.798 -6.440 57 HZ3 LYS 7 HZ3 LYS 7 21.429 13.557 -7.555 58 H VAL 8 HN VAL 8 19.568 8.958 -3.321 59 HA VAL 8 HA VAL 8 18.601 9.792 -0.708 60 HB VAL 8 HB VAL 8 21.340 8.725 -1.576 61 HG11 VAL 8 HG11 VAL 8 20.254 9.103 1.250 62 HG12 VAL 8 HG12 VAL 8 21.528 10.065 0.495 63 HG13 VAL 8 HG13 VAL 8 21.796 8.353 0.829 64 HG21 VAL 8 HG21 VAL 8 19.540 7.051 -1.892 65 HG22 VAL 8 HG22 VAL 8 19.048 7.245 -0.207 66 HG23 VAL 8 HG23 VAL 8 20.632 6.565 -0.591 67 H LEU 9 HN LEU 9 19.193 11.651 0.328 68 HA LEU 9 HA LEU 9 20.911 13.605 -1.076 69 HB2 LEU 9 HB2 LEU 9 18.725 14.122 0.979 70 HB3 LEU 9 HB1 LEU 9 19.698 15.354 0.183 71 HG LEU 9 HG LEU 9 17.617 13.552 -1.130 72 HD11 LEU 9 HD11 LEU 9 17.617 16.555 -0.693 73 HD12 LEU 9 HD12 LEU 9 16.648 15.367 0.184 74 HD13 LEU 9 HD13 LEU 9 16.377 15.621 -1.538 75 HD21 LEU 9 HD21 LEU 9 19.449 13.879 -2.712 76 HD22 LEU 9 HD22 LEU 9 19.398 15.625 -2.468 77 HD23 LEU 9 HD23 LEU 9 18.035 14.797 -3.229 78 H ASP 10 HN ASP 10 20.430 11.831 1.924 79 HA ASP 10 HA ASP 10 22.960 12.675 3.004 80 HB2 ASP 10 HB2 ASP 10 21.232 14.567 3.538 81 HB3 ASP 10 HB1 ASP 10 20.524 13.434 4.678 82 H ARG 11 HN ARG 11 23.340 11.657 5.179 83 HA ARG 11 HA ARG 11 21.809 9.196 5.740 84 HB2 ARG 11 HB2 ARG 11 23.579 8.445 4.270 85 HB3 ARG 11 HB1 ARG 11 24.779 9.427 5.099 86 HG2 ARG 11 HG2 ARG 11 24.556 7.948 7.105 87 HG3 ARG 11 HG1 ARG 11 23.433 6.927 6.195 88 HD2 ARG 11 HD2 ARG 11 25.159 6.302 4.626 89 HD3 ARG 11 HD1 ARG 11 26.260 7.538 5.254 90 HE ARG 11 HE ARG 11 25.430 5.484 7.146 91 HH11 ARG 11 HH11 ARG 11 27.938 6.523 4.898 92 HH12 ARG 11 HH12 ARG 11 29.156 5.543 5.647 93 HH21 ARG 11 HH21 ARG 11 27.049 4.213 8.097 94 HH22 ARG 11 HH22 ARG 11 28.652 4.232 7.436 95 H ARG 12 HN ARG 12 21.602 8.860 7.899 96 HA ARG 12 HA ARG 12 23.446 10.059 9.854 97 HB2 ARG 12 HB2 ARG 12 21.684 10.831 11.282 98 HB3 ARG 12 HB1 ARG 12 21.280 11.414 9.672 99 HG2 ARG 12 HG2 ARG 12 19.644 9.559 9.422 100 HG3 ARG 12 HG1 ARG 12 20.033 9.014 11.058 101 HD2 ARG 12 HD2 ARG 12 19.256 11.217 11.941 102 HD3 ARG 12 HD1 ARG 12 18.804 11.691 10.293 103 HE ARG 12 HE ARG 12 17.579 9.223 11.010 104 HH11 ARG 12 HH11 ARG 12 17.250 12.692 11.527 105 HH12 ARG 12 HH12 ARG 12 15.577 12.589 11.956 106 HH21 ARG 12 HH21 ARG 12 15.421 9.108 11.581 107 HH22 ARG 12 HH22 ARG 12 14.541 10.542 11.994 108 H VAL 13 HN VAL 13 22.965 9.035 12.097 109 HA VAL 13 HA VAL 13 22.159 6.184 11.885 110 HB VAL 13 HB VAL 13 24.391 7.339 13.626 111 HG11 VAL 13 HG11 VAL 13 24.793 4.989 14.355 112 HG12 VAL 13 HG12 VAL 13 23.373 4.467 13.447 113 HG13 VAL 13 HG13 VAL 13 23.186 5.552 14.828 114 HG21 VAL 13 HG21 VAL 13 25.101 7.104 11.272 115 HG22 VAL 13 HG22 VAL 13 24.568 5.421 11.260 116 HG23 VAL 13 HG23 VAL 13 25.920 5.908 12.286 117 H VAL 14 HN VAL 14 20.263 5.993 12.923 118 HA VAL 14 HA VAL 14 19.967 7.131 15.652 119 HB VAL 14 HB VAL 14 17.755 6.852 13.543 120 HG11 VAL 14 HG11 VAL 14 16.189 7.749 15.244 121 HG12 VAL 14 HG12 VAL 14 17.472 7.705 16.457 122 HG13 VAL 14 HG13 VAL 14 16.871 6.202 15.755 123 HG21 VAL 14 HG21 VAL 14 19.148 8.874 13.239 124 HG22 VAL 14 HG22 VAL 14 18.858 9.343 14.916 125 HG23 VAL 14 HG23 VAL 14 17.520 9.309 13.765 126 H ASN 15 HN ASN 15 19.479 5.700 17.171 127 HA ASN 15 HA ASN 15 19.128 3.785 18.303 128 HB2 ASN 15 HB2 ASN 15 16.963 3.702 17.004 129 HB3 ASN 15 HB1 ASN 15 17.760 2.743 15.771 130 HD21 ASN 15 HD21 ASN 15 16.669 2.744 19.131 131 HD22 ASN 15 HD22 ASN 15 16.557 1.030 19.289 132 H GLY 16 HN GLY 16 21.467 4.247 16.378 133 HA2 GLY 16 HA2 GLY 16 23.457 3.153 15.950 134 HA3 GLY 16 HA1 GLY 16 22.788 1.686 16.648 135 H LYS 17 HN LYS 17 20.741 2.988 14.313 136 HA LYS 17 HA LYS 17 21.672 1.116 12.216 137 HB2 LYS 17 HB2 LYS 17 19.579 0.230 12.285 138 HB3 LYS 17 HB1 LYS 17 19.101 1.371 13.526 139 HG2 LYS 17 HG2 LYS 17 18.502 3.000 11.676 140 HG3 LYS 17 HG1 LYS 17 18.802 1.699 10.516 141 HD2 LYS 17 HD2 LYS 17 16.405 1.857 11.022 142 HD3 LYS 17 HD1 LYS 17 17.051 0.324 11.616 143 HE2 LYS 17 HE2 LYS 17 15.541 1.314 13.257 144 HE3 LYS 17 HE1 LYS 17 17.190 1.281 13.884 145 HZ1 LYS 17 HZ1 LYS 17 17.421 3.602 13.393 146 HZ2 LYS 17 HZ2 LYS 17 16.023 3.379 14.317 147 HZ3 LYS 17 HZ3 LYS 17 15.901 3.655 12.657 148 H VAL 18 HN VAL 18 21.188 1.814 10.008 149 HA VAL 18 HA VAL 18 22.119 4.604 9.700 150 HB VAL 18 HB VAL 18 22.265 2.287 7.706 151 HG11 VAL 18 HG11 VAL 18 23.857 3.728 6.465 152 HG12 VAL 18 HG12 VAL 18 23.590 5.025 7.632 153 HG13 VAL 18 HG13 VAL 18 22.268 4.486 6.594 154 HG21 VAL 18 HG21 VAL 18 24.453 3.393 9.515 155 HG22 VAL 18 HG22 VAL 18 24.674 2.156 8.275 156 HG23 VAL 18 HG23 VAL 18 23.666 1.820 9.683 157 H GLU 19 HN GLU 19 20.686 6.079 8.965 158 HA GLU 19 HA GLU 19 18.356 5.212 7.353 159 HB2 GLU 19 HB2 GLU 19 18.412 7.535 9.331 160 HB3 GLU 19 HB1 GLU 19 17.010 6.930 8.440 161 HG2 GLU 19 HG2 GLU 19 17.317 4.735 9.665 162 HG3 GLU 19 HG1 GLU 19 18.526 5.530 10.669 163 H TYR 20 HN TYR 20 17.862 6.382 5.571 164 HA TYR 20 HA TYR 20 19.799 8.443 4.695 165 HB2 TYR 20 HB2 TYR 20 18.266 6.355 3.062 166 HB3 TYR 20 HB1 TYR 20 19.260 7.633 2.366 167 HD1 TYR 20 HD2 TYR 20 21.729 7.571 2.565 168 HD2 TYR 20 HD1 TYR 20 19.344 4.391 4.142 169 HE1 TYR 20 HE2 TYR 20 23.726 6.173 2.758 170 HE2 TYR 20 HE1 TYR 20 21.360 2.997 4.346 171 HH TYR 20 HH TYR 20 23.605 2.846 3.353 172 H PHE 21 HN PHE 21 19.001 10.377 4.117 173 HA PHE 21 HA PHE 21 16.204 11.043 4.351 174 HB2 PHE 21 HB2 PHE 21 18.138 12.534 5.062 175 HB3 PHE 21 HB1 PHE 21 18.532 12.762 3.364 176 HD1 PHE 21 HD2 PHE 21 15.473 12.975 5.558 177 HD2 PHE 21 HD1 PHE 21 17.816 14.826 2.495 178 HE1 PHE 21 HE2 PHE 21 13.937 14.893 5.542 179 HE2 PHE 21 HE1 PHE 21 16.275 16.741 2.484 180 HZ PHE 21 HZ PHE 21 14.337 16.778 4.006 181 H LEU 22 HN LEU 22 14.880 10.520 2.741 182 HA LEU 22 HA LEU 22 15.932 10.078 0.041 183 HB2 LEU 22 HB2 LEU 22 13.302 9.252 1.319 184 HB3 LEU 22 HB1 LEU 22 13.805 8.853 -0.320 185 HG LEU 22 HG LEU 22 14.945 7.808 2.292 186 HD11 LEU 22 HD11 LEU 22 13.697 6.429 -0.102 187 HD12 LEU 22 HD12 LEU 22 12.925 6.738 1.455 188 HD13 LEU 22 HD13 LEU 22 14.294 5.652 1.360 189 HD21 LEU 22 HD21 LEU 22 16.895 8.269 0.885 190 HD22 LEU 22 HD22 LEU 22 16.161 7.421 -0.476 191 HD23 LEU 22 HD23 LEU 22 16.621 6.529 0.976 192 H LYS 23 HN LYS 23 15.655 11.698 -1.368 193 HA LYS 23 HA LYS 23 13.257 13.319 -1.450 194 HB2 LYS 23 HB2 LYS 23 15.653 13.902 -2.433 195 HB3 LYS 23 HB1 LYS 23 15.154 12.930 -3.811 196 HG2 LYS 23 HG2 LYS 23 13.771 15.447 -2.779 197 HG3 LYS 23 HG1 LYS 23 14.811 15.343 -4.204 198 HD2 LYS 23 HD2 LYS 23 13.159 13.729 -5.205 199 HD3 LYS 23 HD1 LYS 23 12.107 14.006 -3.814 200 HE2 LYS 23 HE2 LYS 23 11.749 16.301 -4.456 201 HE3 LYS 23 HE1 LYS 23 13.001 16.205 -5.701 202 HZ1 LYS 23 HZ1 LYS 23 10.506 14.601 -5.694 203 HZ2 LYS 23 HZ2 LYS 23 11.692 14.622 -6.905 204 HZ3 LYS 23 HZ3 LYS 23 10.760 16.000 -6.604 205 H TRP 24 HN TRP 24 11.387 12.304 -1.935 206 HA TRP 24 HA TRP 24 11.310 9.799 -3.387 207 HB2 TRP 24 HB2 TRP 24 9.085 11.526 -2.218 208 HB3 TRP 24 HB1 TRP 24 8.843 9.936 -2.937 209 HD1 TRP 24 HD1 TRP 24 10.253 11.625 0.211 210 HE1 TRP 24 HE1 TRP 24 10.592 9.835 2.020 211 HE3 TRP 24 HE3 TRP 24 9.360 7.442 -2.593 212 HZ2 TRP 24 HZ2 TRP 24 10.503 7.037 2.239 213 HZ3 TRP 24 HZ3 TRP 24 9.507 5.238 -1.504 214 HH2 TRP 24 HH2 TRP 24 10.071 5.041 0.868 215 H LYS 25 HN LYS 25 10.380 9.471 -5.438 216 HA LYS 25 HA LYS 25 11.235 11.427 -7.282 217 HB2 LYS 25 HB2 LYS 25 11.289 8.925 -7.585 218 HB3 LYS 25 HB1 LYS 25 9.549 8.959 -7.848 219 HG2 LYS 25 HG2 LYS 25 9.906 10.393 -9.853 220 HG3 LYS 25 HG1 LYS 25 11.652 10.293 -9.586 221 HD2 LYS 25 HD2 LYS 25 11.579 7.848 -9.908 222 HD3 LYS 25 HD1 LYS 25 9.826 7.907 -10.123 223 HE2 LYS 25 HE2 LYS 25 10.911 7.719 -12.294 224 HE3 LYS 25 HE1 LYS 25 10.173 9.317 -12.167 225 HZ1 LYS 25 HZ1 LYS 25 12.400 9.394 -13.116 226 HZ2 LYS 25 HZ2 LYS 25 13.044 8.705 -11.714 227 HZ3 LYS 25 HZ3 LYS 25 12.332 10.235 -11.651 228 H GLY 26 HN GLY 26 7.932 10.118 -6.859 229 HA2 GLY 26 HA2 GLY 26 6.717 12.370 -8.271 230 HA3 GLY 26 HA1 GLY 26 5.908 10.930 -7.684 231 H PHE 27 HN PHE 27 7.983 12.771 -5.559 232 HA PHE 27 HA PHE 27 5.744 14.271 -4.355 233 HB2 PHE 27 HB2 PHE 27 7.742 12.532 -2.838 234 HB3 PHE 27 HB1 PHE 27 6.758 13.757 -2.055 235 HD1 PHE 27 HD2 PHE 27 4.253 13.490 -1.998 236 HD2 PHE 27 HD1 PHE 27 6.804 10.351 -3.367 237 HE1 PHE 27 HE2 PHE 27 2.429 11.867 -1.685 238 HE2 PHE 27 HE1 PHE 27 4.973 8.742 -3.053 239 HZ PHE 27 HZ PHE 27 2.788 9.492 -2.212 240 H THR 28 HN THR 28 6.642 15.944 -2.773 241 HA THR 28 HA THR 28 8.552 17.547 -4.258 242 HB THR 28 HB THR 28 7.882 19.362 -2.693 243 HG1 THR 28 HG1 THR 28 6.168 18.818 -1.158 244 HG21 THR 28 HG21 THR 28 5.484 19.510 -3.292 245 HG22 THR 28 HG22 THR 28 5.484 17.809 -3.763 246 HG23 THR 28 HG23 THR 28 6.445 18.982 -4.671 247 H ASP 29 HN ASP 29 10.126 18.926 -2.925 248 HA ASP 29 HA ASP 29 12.021 17.273 -1.554 249 HB2 ASP 29 HB2 ASP 29 11.926 20.309 -1.870 250 HB3 ASP 29 HB1 ASP 29 13.290 19.424 -1.190 251 H ALA 30 HN ALA 30 9.479 19.452 -0.532 252 HA ALA 30 HA ALA 30 10.215 19.649 2.238 253 HB1 ALA 30 HB1 ALA 30 7.971 20.657 2.524 254 HB2 ALA 30 HB2 ALA 30 7.535 20.172 0.882 255 HB3 ALA 30 HB3 ALA 30 8.816 21.357 1.142 256 H ASP 31 HN ASP 31 8.598 17.249 0.319 257 HA ASP 31 HA ASP 31 7.293 15.942 2.611 258 HB2 ASP 31 HB2 ASP 31 6.138 16.357 0.333 259 HB3 ASP 31 HB1 ASP 31 7.166 15.079 -0.309 260 H ASN 32 HN ASN 32 10.334 15.974 1.639 261 HA ASN 32 HA ASN 32 11.148 13.266 1.365 262 HB2 ASN 32 HB2 ASN 32 12.580 15.792 2.260 263 HB3 ASN 32 HB1 ASN 32 13.408 14.243 2.159 264 HD21 ASN 32 HD21 ASN 32 10.966 14.923 -0.261 265 HD22 ASN 32 HD22 ASN 32 12.079 15.258 -1.529 266 H THR 33 HN THR 33 11.928 11.785 2.876 267 HA THR 33 HA THR 33 11.636 12.333 5.755 268 HB THR 33 HB THR 33 10.374 10.112 5.993 269 HG1 THR 33 HG1 THR 33 10.209 9.009 4.217 270 HG21 THR 33 HG21 THR 33 8.894 12.282 4.476 271 HG22 THR 33 HG22 THR 33 9.159 12.257 6.221 272 HG23 THR 33 HG23 THR 33 8.149 11.021 5.463 273 H TRP 34 HN TRP 34 12.677 10.772 7.112 274 HA TRP 34 HA TRP 34 15.089 9.599 5.962 275 HB2 TRP 34 HB2 TRP 34 14.147 9.917 8.845 276 HB3 TRP 34 HB1 TRP 34 15.654 9.127 8.389 277 HD1 TRP 34 HD1 TRP 34 14.090 12.599 8.736 278 HE1 TRP 34 HE1 TRP 34 15.965 14.349 8.542 279 HE3 TRP 34 HE3 TRP 34 17.879 9.545 7.209 280 HZ2 TRP 34 HZ2 TRP 34 18.700 14.425 7.825 281 HZ3 TRP 34 HZ3 TRP 34 20.086 10.514 6.771 282 HH2 TRP 34 HH2 TRP 34 20.493 12.913 7.077 283 H GLU 35 HN GLU 35 14.927 7.581 5.149 284 HA GLU 35 HA GLU 35 13.368 5.536 6.647 285 HB2 GLU 35 HB2 GLU 35 14.017 5.522 3.683 286 HB3 GLU 35 HB1 GLU 35 13.042 4.328 4.539 287 HG2 GLU 35 HG2 GLU 35 12.352 7.178 3.794 288 HG3 GLU 35 HG1 GLU 35 11.527 5.693 3.338 289 HA PRO 36 HA PRO 36 17.495 3.776 7.241 290 HB2 PRO 36 HB2 PRO 36 16.728 1.395 8.387 291 HB3 PRO 36 HB1 PRO 36 16.788 2.934 9.256 292 HG2 PRO 36 HG2 PRO 36 14.420 1.532 8.050 293 HG3 PRO 36 HG1 PRO 36 14.552 2.371 9.608 294 HD2 PRO 36 HD2 PRO 36 13.397 3.518 7.415 295 HD3 PRO 36 HD1 PRO 36 14.255 4.470 8.644 296 H GLU 37 HN GLU 37 18.792 2.116 6.429 297 HA GLU 37 HA GLU 37 18.380 1.302 3.797 298 HB2 GLU 37 HB2 GLU 37 20.363 -0.383 4.399 299 HB3 GLU 37 HB1 GLU 37 20.628 1.340 4.272 300 HG2 GLU 37 HG2 GLU 37 21.784 0.271 6.197 301 HG3 GLU 37 HG1 GLU 37 20.735 1.612 6.634 302 H GLU 38 HN GLU 38 17.541 -0.380 6.744 303 HA GLU 38 HA GLU 38 17.031 -2.952 5.648 304 HB2 GLU 38 HB2 GLU 38 15.761 -3.379 7.736 305 HB3 GLU 38 HB1 GLU 38 17.311 -2.619 8.073 306 HG2 GLU 38 HG2 GLU 38 16.287 -0.511 8.576 307 HG3 GLU 38 HG1 GLU 38 14.730 -1.033 7.937 308 H ASN 39 HN ASN 39 15.219 -0.010 5.883 309 HA ASN 39 HA ASN 39 12.639 -1.147 5.151 310 HB2 ASN 39 HB2 ASN 39 12.899 0.561 6.964 311 HB3 ASN 39 HB1 ASN 39 13.500 1.712 5.777 312 HD21 ASN 39 HD21 ASN 39 11.865 3.159 6.221 313 HD22 ASN 39 HD22 ASN 39 10.237 2.903 5.735 314 H LEU 40 HN LEU 40 15.354 0.413 3.618 315 HA LEU 40 HA LEU 40 14.021 1.445 1.299 316 HB2 LEU 40 HB2 LEU 40 16.950 0.611 1.548 317 HB3 LEU 40 HB1 LEU 40 16.260 1.610 0.274 318 HG LEU 40 HG LEU 40 16.745 2.343 3.175 319 HD11 LEU 40 HD11 LEU 40 17.994 4.233 2.229 320 HD12 LEU 40 HD12 LEU 40 17.657 3.648 0.597 321 HD13 LEU 40 HD13 LEU 40 18.637 2.680 1.701 322 HD21 LEU 40 HD21 LEU 40 14.509 3.115 2.706 323 HD22 LEU 40 HD22 LEU 40 15.044 3.892 1.215 324 HD23 LEU 40 HD23 LEU 40 15.613 4.486 2.779 325 H ASP 41 HN ASP 41 14.329 0.598 -0.900 326 HA ASP 41 HA ASP 41 14.768 -2.308 -1.148 327 HB2 ASP 41 HB2 ASP 41 12.270 -1.765 -0.932 328 HB3 ASP 41 HB1 ASP 41 12.400 -0.854 -2.435 329 H CYS 42 HN CYS 42 16.465 -0.084 -1.617 330 HA CYS 42 HA CYS 42 17.093 -0.416 -4.454 331 HB2 CYS 42 HB2 CYS 42 17.354 2.057 -4.779 332 HB3 CYS 42 HB1 CYS 42 15.688 1.578 -4.488 333 HG CYS 42 HG CYS 42 15.266 3.058 -2.437 334 HA PRO 43 HA PRO 43 21.100 -0.318 -2.125 335 HB2 PRO 43 HB2 PRO 43 22.312 -2.305 -3.526 336 HB3 PRO 43 HB1 PRO 43 21.187 -2.658 -2.202 337 HG2 PRO 43 HG2 PRO 43 20.656 -2.638 -5.179 338 HG3 PRO 43 HG1 PRO 43 20.198 -3.866 -3.979 339 HD2 PRO 43 HD2 PRO 43 18.452 -1.955 -4.851 340 HD3 PRO 43 HD1 PRO 43 18.388 -2.615 -3.202 341 H GLU 44 HN GLU 44 20.008 0.011 -5.371 342 HA GLU 44 HA GLU 44 22.299 0.732 -6.793 343 HB2 GLU 44 HB2 GLU 44 20.148 0.162 -7.823 344 HB3 GLU 44 HB1 GLU 44 19.391 1.582 -7.113 345 HG2 GLU 44 HG2 GLU 44 20.648 3.061 -8.552 346 HG3 GLU 44 HG1 GLU 44 21.645 1.723 -9.139 347 H LEU 45 HN LEU 45 20.010 2.738 -4.906 348 HA LEU 45 HA LEU 45 21.315 5.244 -5.415 349 HB2 LEU 45 HB2 LEU 45 19.311 4.427 -3.293 350 HB3 LEU 45 HB1 LEU 45 19.906 6.073 -3.474 351 HG LEU 45 HG LEU 45 18.252 4.520 -5.494 352 HD11 LEU 45 HD11 LEU 45 16.959 5.302 -3.585 353 HD12 LEU 45 HD12 LEU 45 16.541 6.231 -5.021 354 HD13 LEU 45 HD13 LEU 45 17.585 6.942 -3.787 355 HD21 LEU 45 HD21 LEU 45 19.876 5.920 -6.689 356 HD22 LEU 45 HD22 LEU 45 19.398 7.331 -5.742 357 HD23 LEU 45 HD23 LEU 45 18.250 6.582 -6.856 358 H ILE 46 HN ILE 46 21.350 2.947 -2.695 359 HA ILE 46 HA ILE 46 22.829 4.495 -0.858 360 HB ILE 46 HB ILE 46 22.745 1.443 -1.090 361 HG12 ILE 46 HG12 ILE 46 20.959 3.296 0.564 362 HG13 ILE 46 HG11 ILE 46 20.464 2.483 -0.917 363 HG21 ILE 46 HG21 ILE 46 23.447 3.174 1.313 364 HG22 ILE 46 HG22 ILE 46 24.576 2.186 0.382 365 HG23 ILE 46 HG23 ILE 46 23.297 1.415 1.321 366 HD11 ILE 46 HD11 ILE 46 21.197 1.177 1.704 367 HD12 ILE 46 HD12 ILE 46 20.805 0.304 0.221 368 HD13 ILE 46 HD13 ILE 46 19.589 1.319 0.993 369 H GLU 47 HN GLU 47 23.867 2.052 -3.213 370 HA GLU 47 HA GLU 47 26.644 2.141 -2.748 371 HB2 GLU 47 HB2 GLU 47 25.627 0.291 -3.997 372 HB3 GLU 47 HB1 GLU 47 25.092 1.388 -5.264 373 HG2 GLU 47 HG2 GLU 47 27.421 1.822 -5.911 374 HG3 GLU 47 HG1 GLU 47 27.989 0.816 -4.583 375 H ALA 48 HN ALA 48 24.652 3.757 -5.265 376 HA ALA 48 HA ALA 48 26.655 5.235 -6.551 377 HB1 ALA 48 HB1 ALA 48 24.845 6.647 -7.440 378 HB2 ALA 48 HB2 ALA 48 23.736 6.021 -6.212 379 HB3 ALA 48 HB3 ALA 48 24.373 4.946 -7.459 380 H PHE 49 HN PHE 49 24.869 5.945 -3.622 381 HA PHE 49 HA PHE 49 25.581 8.669 -3.230 382 HB2 PHE 49 HB2 PHE 49 23.654 7.826 -2.074 383 HB3 PHE 49 HB1 PHE 49 24.544 6.464 -1.410 384 HD1 PHE 49 HD2 PHE 49 24.390 10.218 -1.253 385 HD2 PHE 49 HD1 PHE 49 25.345 6.584 0.792 386 HE1 PHE 49 HE2 PHE 49 24.780 11.477 0.821 387 HE2 PHE 49 HE1 PHE 49 25.735 7.852 2.855 388 HZ PHE 49 HZ PHE 49 25.465 10.294 2.867 389 H LEU 50 HN LEU 50 26.991 5.591 -2.105 390 HA LEU 50 HA LEU 50 29.128 6.807 -0.583 391 HB2 LEU 50 HB2 LEU 50 28.812 3.939 -1.574 392 HB3 LEU 50 HB1 LEU 50 30.018 4.480 -0.413 393 HG LEU 50 HG LEU 50 26.998 4.456 0.030 394 HD11 LEU 50 HD11 LEU 50 29.159 2.718 1.259 395 HD12 LEU 50 HD12 LEU 50 27.977 2.216 0.047 396 HD13 LEU 50 HD13 LEU 50 27.439 2.683 1.658 397 HD21 LEU 50 HD21 LEU 50 27.999 6.356 1.213 398 HD22 LEU 50 HD22 LEU 50 29.197 5.295 1.958 399 HD23 LEU 50 HD23 LEU 50 27.487 5.117 2.360 400 H ASN 51 HN ASN 51 28.715 5.654 -3.865 401 HA ASN 51 HA ASN 51 31.493 5.579 -4.646 402 HB2 ASN 51 HB2 ASN 51 28.898 5.438 -6.237 403 HB3 ASN 51 HB1 ASN 51 30.473 5.422 -7.018 404 HD21 ASN 51 HD21 ASN 51 29.797 3.735 -3.952 405 HD22 ASN 51 HD22 ASN 51 29.954 2.150 -4.607 406 H SER 52 HN SER 52 28.922 7.923 -4.637 407 HA SER 52 HA SER 52 30.052 9.965 -6.229 408 HB2 SER 52 HB2 SER 52 27.673 9.964 -5.485 409 HB3 SER 52 HB1 SER 52 28.189 10.212 -3.820 410 HG SER 52 HG SER 52 28.163 12.247 -4.263 411 H GLN 53 HN GLN 53 30.566 8.948 -2.908 412 HA GLN 53 HA GLN 53 31.991 11.283 -2.001 413 HB2 GLN 53 HB2 GLN 53 31.775 8.501 -0.769 414 HB3 GLN 53 HB1 GLN 53 32.372 9.947 0.053 415 HG2 GLN 53 HG2 GLN 53 30.187 10.981 -0.021 416 HG3 GLN 53 HG1 GLN 53 29.562 9.721 -1.085 417 HE21 GLN 53 HE21 GLN 53 27.901 9.137 0.268 418 HE22 GLN 53 HE22 GLN 53 28.143 8.353 1.790 419 H LYS 54 HN LYS 54 32.895 8.191 -3.460 420 HA LYS 54 HA LYS 54 35.735 8.470 -3.011 421 HB2 LYS 54 HB2 LYS 54 34.804 6.224 -3.355 422 HB3 LYS 54 HB1 LYS 54 34.191 6.676 -4.942 423 HG2 LYS 54 HG2 LYS 54 36.510 6.965 -5.760 424 HG3 LYS 54 HG1 LYS 54 37.132 6.519 -4.170 425 HD2 LYS 54 HD2 LYS 54 35.347 4.617 -5.733 426 HD3 LYS 54 HD1 LYS 54 37.072 4.716 -6.081 427 HE2 LYS 54 HE2 LYS 54 36.609 2.861 -4.554 428 HE3 LYS 54 HE1 LYS 54 37.578 4.083 -3.742 429 HZ1 LYS 54 HZ1 LYS 54 34.646 3.762 -3.429 430 HZ2 LYS 54 HZ2 LYS 54 35.627 4.850 -2.591 431 HZ3 LYS 54 HZ3 LYS 54 35.812 3.191 -2.352 432 H1 ALA 1 HT1 ALA 1 16.394 -3.304 -13.233 433 H2 ALA 1 HT2 ALA 1 17.658 -2.284 -12.773 434 H3 ALA 1 HT3 ALA 1 17.994 -3.848 -13.312 435 HA ALA 1 HA ALA 1 18.507 -2.229 -15.002 436 HB1 ALA 1 HB1 ALA 1 17.212 -3.241 -16.859 437 HB2 ALA 1 HB2 ALA 1 16.095 -3.954 -15.692 438 HB3 ALA 1 HB3 ALA 1 17.782 -4.470 -15.727 439 H ARG 2 HN ARG 2 17.799 -0.591 -16.448 440 HA ARG 2 HA ARG 2 16.793 1.315 -17.134 441 HB2 ARG 2 HB2 ARG 2 14.256 -0.006 -16.073 442 HB3 ARG 2 HB1 ARG 2 14.273 1.454 -17.059 443 HG2 ARG 2 HG2 ARG 2 15.304 -1.269 -17.952 444 HG3 ARG 2 HG1 ARG 2 13.718 -0.599 -18.349 445 HD2 ARG 2 HD2 ARG 2 14.834 1.276 -19.548 446 HD3 ARG 2 HD1 ARG 2 16.409 0.563 -19.164 447 HE ARG 2 HE ARG 2 14.640 -1.243 -20.547 448 HH11 ARG 2 HH11 ARG 2 17.040 1.291 -21.012 449 HH12 ARG 2 HH12 ARG 2 17.348 0.848 -22.655 450 HH21 ARG 2 HH21 ARG 2 15.093 -1.813 -22.679 451 HH22 ARG 2 HH22 ARG 2 16.235 -0.894 -23.605 452 H THR 3 HN THR 3 17.684 0.940 -14.228 453 HA THR 3 HA THR 3 17.788 1.961 -12.243 454 HB THR 3 HB THR 3 16.901 4.486 -13.713 455 HG1 THR 3 HG1 THR 3 19.550 3.514 -13.355 456 HG21 THR 3 HG21 THR 3 18.300 5.655 -12.046 457 HG22 THR 3 HG22 THR 3 18.662 4.122 -11.251 458 HG23 THR 3 HG23 THR 3 17.012 4.748 -11.249 459 H LYS 4 HN LYS 4 15.974 0.591 -11.597 460 HA LYS 4 HA LYS 4 13.490 2.064 -10.931 461 HB2 LYS 4 HB2 LYS 4 13.965 -0.955 -10.955 462 HB3 LYS 4 HB1 LYS 4 12.442 -0.150 -10.581 463 HG2 LYS 4 HG2 LYS 4 13.857 -0.251 -13.270 464 HG3 LYS 4 HG1 LYS 4 12.334 -1.032 -12.823 465 HD2 LYS 4 HD2 LYS 4 11.302 1.222 -12.516 466 HD3 LYS 4 HD1 LYS 4 12.822 1.970 -13.016 467 HE2 LYS 4 HE2 LYS 4 11.308 1.980 -14.890 468 HE3 LYS 4 HE1 LYS 4 12.584 0.810 -15.234 469 HZ1 LYS 4 HZ1 LYS 4 11.064 -0.942 -14.484 470 HZ2 LYS 4 HZ2 LYS 4 10.463 -0.094 -15.814 471 HZ3 LYS 4 HZ3 LYS 4 9.842 0.209 -14.271 472 H GLN 5 HN GLN 5 14.201 3.126 -9.137 473 HA GLN 5 HA GLN 5 15.413 1.575 -6.938 474 HB2 GLN 5 HB2 GLN 5 16.602 3.544 -6.231 475 HB3 GLN 5 HB1 GLN 5 16.948 3.253 -7.921 476 HG2 GLN 5 HG2 GLN 5 14.932 5.312 -7.042 477 HG3 GLN 5 HG1 GLN 5 16.640 5.677 -7.103 478 HE21 GLN 5 HE21 GLN 5 16.455 7.270 -8.601 479 HE22 GLN 5 HE22 GLN 5 15.990 7.018 -10.243 480 H THR 6 HN THR 6 13.856 1.048 -5.583 481 HA THR 6 HA THR 6 11.706 2.964 -4.869 482 HB THR 6 HB THR 6 10.457 0.774 -4.215 483 HG1 THR 6 HG1 THR 6 11.740 -0.912 -4.350 484 HG21 THR 6 HG21 THR 6 11.098 1.212 -7.160 485 HG22 THR 6 HG22 THR 6 9.858 2.070 -6.240 486 HG23 THR 6 HG23 THR 6 9.707 0.334 -6.516 487 H ALA 7 HN ALA 7 10.771 2.510 -2.669 488 HA ALA 7 HA ALA 7 12.363 1.309 -0.618 489 HB1 ALA 7 HB1 ALA 7 12.224 4.356 -0.658 490 HB2 ALA 7 HB2 ALA 7 13.675 3.384 -0.913 491 HB3 ALA 7 HB3 ALA 7 12.869 3.364 0.655 492 H ARG 8 HN ARG 8 11.321 1.578 1.480 493 HA ARG 8 HA ARG 8 8.385 1.871 1.201 494 HB2 ARG 8 HB2 ARG 8 9.600 -0.434 1.642 495 HB3 ARG 8 HB1 ARG 8 9.803 0.171 3.278 496 HG2 ARG 8 HG2 ARG 8 7.349 0.319 3.538 497 HG3 ARG 8 HG1 ARG 8 7.143 -0.224 1.867 498 HD2 ARG 8 HD2 ARG 8 8.168 -1.805 4.240 499 HD3 ARG 8 HD1 ARG 8 6.804 -2.178 3.183 500 HE ARG 8 HE ARG 8 9.598 -2.779 2.755 501 HH11 ARG 8 HH11 ARG 8 6.512 -2.467 1.114 502 HH12 ARG 8 HH12 ARG 8 7.056 -3.315 -0.288 503 HH21 ARG 8 HH21 ARG 8 10.286 -3.865 0.930 504 HH22 ARG 8 HH22 ARG 8 9.201 -4.102 -0.402 505 H M3L 9 HN M3L 9 7.279 2.563 3.264 506 HA M3L 9 HA M3L 9 8.919 4.509 4.779 507 HB2 M3L 9 HB2 M3L 9 5.935 4.550 4.210 508 HB3 M3L 9 HB1 M3L 9 6.775 5.709 5.245 509 HG2 M3L 9 HG2 M3L 9 8.251 6.248 3.226 510 HG3 M3L 9 HG1 M3L 9 7.113 5.304 2.253 511 HD2 M3L 9 HD2 M3L 9 5.285 6.848 2.887 512 HD3 M3L 9 HD1 M3L 9 6.399 7.764 3.913 513 HE2 M3L 9 HE2 M3L 9 7.802 8.156 1.802 514 HE3 M3L 9 HE1 M3L 9 6.445 7.495 0.889 515 HM11 M3L 9 HH33 M3L 9 6.192 9.770 3.900 516 HM12 M3L 9 HH31 M3L 9 6.074 11.253 2.944 517 HM13 M3L 9 HH32 M3L 9 7.592 10.352 2.998 518 HM21 M3L 9 HH11 M3L 9 7.592 10.260 0.478 519 HM22 M3L 9 HH12 M3L 9 6.062 11.138 0.432 520 HM23 M3L 9 HH13 M3L 9 6.212 9.584 -0.388 521 HM31 M3L 9 HH21 M3L 9 4.203 8.815 2.672 522 HM32 M3L 9 HH22 M3L 9 4.215 8.714 0.910 523 HM33 M3L 9 HH23 M3L 9 4.079 10.285 1.700 524 H SER 10 HN SER 10 8.042 1.527 5.255 525 HA SER 10 HA SER 10 8.484 1.581 8.029 526 HB2 SER 10 HB2 SER 10 6.272 0.599 8.794 527 HB3 SER 10 HB1 SER 10 6.169 2.293 8.316 528 HG SER 10 HG SER 10 4.693 1.670 6.969 529 H THR 11 HN THR 11 9.680 -0.203 8.234 530 HA THR 11 HA THR 11 9.926 -2.333 6.465 531 HB THR 11 HB THR 11 10.544 -2.370 9.459 532 HG1 THR 11 HG1 THR 11 12.722 -1.827 8.476 533 HG21 THR 11 HG21 THR 11 12.285 -4.037 8.862 534 HG22 THR 11 HG22 THR 11 11.742 -4.007 7.185 535 HG23 THR 11 HG23 THR 11 10.676 -4.631 8.444 536 H GLY 12 HN GLY 12 8.198 -2.280 9.600 537 HA2 GLY 12 HA2 GLY 12 6.564 -4.613 8.976 538 HA3 GLY 12 HA1 GLY 12 6.431 -3.553 10.382 539 H GLY 13 HN GLY 13 5.819 -3.724 6.892 540 HA2 GLY 13 HA2 GLY 13 4.265 -1.307 6.671 541 HA3 GLY 13 HA1 GLY 13 4.491 -2.540 5.441 542 H LYS 14 HN LYS 14 2.730 -1.805 8.406 543 HA LYS 14 HA LYS 14 0.256 -2.993 7.428 544 HB2 LYS 14 HB2 LYS 14 -0.031 -4.436 9.449 545 HB3 LYS 14 HB1 LYS 14 1.336 -4.946 8.463 546 HG2 LYS 14 HG2 LYS 14 2.906 -3.886 10.028 547 HG3 LYS 14 HG1 LYS 14 1.562 -3.279 10.996 548 HD2 LYS 14 HD2 LYS 14 2.531 -5.240 12.065 549 HD3 LYS 14 HD1 LYS 14 0.892 -5.612 11.526 550 HE2 LYS 14 HE2 LYS 14 1.825 -6.801 9.557 551 HE3 LYS 14 HE1 LYS 14 3.463 -6.420 10.103 552 HZ1 LYS 14 HZ1 LYS 14 1.474 -8.060 11.578 553 HZ2 LYS 14 HZ2 LYS 14 3.032 -7.680 12.121 554 HZ3 LYS 14 HZ3 LYS 14 2.824 -8.641 10.743 555 H ALA 15 HN ALA 15 -1.588 -2.250 8.637 556 HA ALA 15 HA ALA 15 -1.144 0.239 10.131 557 HB1 ALA 15 HB1 ALA 15 -3.535 0.656 9.719 558 HB2 ALA 15 HB2 ALA 15 -3.700 -0.940 8.983 559 HB3 ALA 15 HB3 ALA 15 -2.695 0.287 8.211 Start of MODEL 19 1 H1 GLY 1 HT1 GLY 1 6.102 -0.513 -7.856 2 H2 GLY 1 HT2 GLY 1 7.627 -1.151 -7.505 3 H3 GLY 1 HT3 GLY 1 7.403 0.523 -7.566 4 HA2 GLY 1 HA1 GLY 1 6.189 -1.324 -5.594 5 HA3 GLY 1 HA2 GLY 1 7.545 -0.247 -5.279 6 H GLU 2 HN GLU 2 5.725 0.237 -3.546 7 HA GLU 2 HA GLU 2 3.483 1.778 -4.469 8 HB2 GLU 2 HB2 GLU 2 3.009 2.172 -2.050 9 HB3 GLU 2 HB1 GLU 2 3.156 0.476 -2.497 10 HG2 GLU 2 HG2 GLU 2 5.446 0.428 -1.558 11 HG3 GLU 2 HG1 GLU 2 5.287 2.127 -1.102 12 H PHE 3 HN PHE 3 6.490 2.699 -2.670 13 HA PHE 3 HA PHE 3 6.077 5.439 -3.759 14 HB2 PHE 3 HB2 PHE 3 7.324 4.621 -1.095 15 HB3 PHE 3 HB1 PHE 3 7.405 6.250 -1.760 16 HD1 PHE 3 HD1 PHE 3 5.104 7.357 -2.410 17 HD2 PHE 3 HD2 PHE 3 5.489 4.087 0.327 18 HE1 PHE 3 HE1 PHE 3 2.915 7.905 -1.439 19 HE2 PHE 3 HE2 PHE 3 3.294 4.649 1.290 20 HZ PHE 3 HZ PHE 3 2.008 6.555 0.409 21 H VAL 4 HN VAL 4 7.377 5.790 -5.348 22 HA VAL 4 HA VAL 4 9.898 4.406 -5.704 23 HB VAL 4 HB VAL 4 8.535 4.730 -7.686 24 HG11 VAL 4 HG11 VAL 4 7.253 6.723 -7.024 25 HG12 VAL 4 HG12 VAL 4 7.966 6.941 -8.625 26 HG13 VAL 4 HG13 VAL 4 8.690 7.731 -7.222 27 HG21 VAL 4 HG21 VAL 4 10.980 4.781 -8.021 28 HG22 VAL 4 HG22 VAL 4 10.977 6.538 -7.846 29 HG23 VAL 4 HG23 VAL 4 10.156 5.788 -9.217 30 H VAL 5 HN VAL 5 11.866 5.232 -5.361 31 HA VAL 5 HA VAL 5 12.124 8.028 -4.445 32 HB VAL 5 HB VAL 5 12.706 6.714 -2.565 33 HG11 VAL 5 HG11 VAL 5 14.240 4.793 -2.551 34 HG12 VAL 5 HG12 VAL 5 14.421 4.920 -4.307 35 HG13 VAL 5 HG13 VAL 5 12.854 4.506 -3.610 36 HG21 VAL 5 HG21 VAL 5 15.326 7.415 -3.951 37 HG22 VAL 5 HG22 VAL 5 15.137 7.124 -2.222 38 HG23 VAL 5 HG23 VAL 5 14.337 8.504 -2.974 39 H GLU 6 HN GLU 6 13.305 9.323 -5.612 40 HA GLU 6 HA GLU 6 14.577 8.699 -8.051 41 HB2 GLU 6 HB2 GLU 6 13.707 10.941 -7.591 42 HB3 GLU 6 HB1 GLU 6 14.775 11.111 -6.203 43 HG2 GLU 6 HG2 GLU 6 16.732 10.973 -7.841 44 HG3 GLU 6 HG1 GLU 6 15.541 11.113 -9.139 45 H LYS 7 HN LYS 7 16.036 9.869 -4.986 46 HA LYS 7 HA LYS 7 18.196 7.996 -4.987 47 HB2 LYS 7 HB2 LYS 7 20.069 9.510 -5.397 48 HB3 LYS 7 HB1 LYS 7 19.008 9.532 -6.801 49 HG2 LYS 7 HG2 LYS 7 18.083 11.699 -6.110 50 HG3 LYS 7 HG1 LYS 7 19.054 11.663 -4.631 51 HD2 LYS 7 HD2 LYS 7 21.130 11.690 -6.021 52 HD3 LYS 7 HD1 LYS 7 20.138 11.783 -7.480 53 HE2 LYS 7 HE2 LYS 7 20.204 13.860 -5.260 54 HE3 LYS 7 HE1 LYS 7 21.033 13.994 -6.809 55 HZ1 LYS 7 HZ1 LYS 7 18.095 13.830 -6.425 56 HZ2 LYS 7 HZ2 LYS 7 18.881 13.946 -7.914 57 HZ3 LYS 7 HZ3 LYS 7 18.972 15.221 -6.808 58 H VAL 8 HN VAL 8 19.770 8.552 -3.219 59 HA VAL 8 HA VAL 8 18.482 9.704 -0.890 60 HB VAL 8 HB VAL 8 21.292 8.573 -1.237 61 HG11 VAL 8 HG11 VAL 8 21.431 8.517 1.194 62 HG12 VAL 8 HG12 VAL 8 19.806 9.173 1.346 63 HG13 VAL 8 HG13 VAL 8 21.101 10.166 0.673 64 HG21 VAL 8 HG21 VAL 8 19.566 6.848 -1.638 65 HG22 VAL 8 HG22 VAL 8 18.812 7.226 -0.086 66 HG23 VAL 8 HG23 VAL 8 20.434 6.528 -0.131 67 H LEU 9 HN LEU 9 19.160 11.578 0.177 68 HA LEU 9 HA LEU 9 20.811 13.485 -1.371 69 HB2 LEU 9 HB2 LEU 9 18.573 13.998 0.621 70 HB3 LEU 9 HB1 LEU 9 19.543 15.253 -0.139 71 HG LEU 9 HG LEU 9 17.692 13.341 -1.627 72 HD11 LEU 9 HD11 LEU 9 16.402 14.899 -0.283 73 HD12 LEU 9 HD12 LEU 9 16.258 15.312 -1.989 74 HD13 LEU 9 HD13 LEU 9 17.306 16.267 -0.938 75 HD21 LEU 9 HD21 LEU 9 18.092 14.766 -3.593 76 HD22 LEU 9 HD22 LEU 9 19.591 14.034 -3.025 77 HD23 LEU 9 HD23 LEU 9 19.251 15.732 -2.674 78 H ASP 10 HN ASP 10 20.348 11.968 1.791 79 HA ASP 10 HA ASP 10 22.932 12.935 2.727 80 HB2 ASP 10 HB2 ASP 10 21.164 14.751 3.285 81 HB3 ASP 10 HB1 ASP 10 20.470 13.595 4.415 82 H ARG 11 HN ARG 11 23.519 11.873 4.840 83 HA ARG 11 HA ARG 11 22.027 9.378 5.427 84 HB2 ARG 11 HB2 ARG 11 24.018 8.955 3.892 85 HB3 ARG 11 HB1 ARG 11 25.068 9.548 5.174 86 HG2 ARG 11 HG2 ARG 11 24.165 7.675 6.643 87 HG3 ARG 11 HG1 ARG 11 23.323 7.057 5.216 88 HD2 ARG 11 HD2 ARG 11 25.662 7.049 4.085 89 HD3 ARG 11 HD1 ARG 11 26.306 7.236 5.719 90 HE ARG 11 HE ARG 11 24.465 5.026 5.343 91 HH11 ARG 11 HH11 ARG 11 27.840 5.955 5.393 92 HH12 ARG 11 HH12 ARG 11 28.412 4.324 5.502 93 HH21 ARG 11 HH21 ARG 11 25.241 2.882 5.428 94 HH22 ARG 11 HH22 ARG 11 26.946 2.596 5.547 95 H ARG 12 HN ARG 12 22.010 8.829 7.596 96 HA ARG 12 HA ARG 12 23.783 10.149 9.506 97 HB2 ARG 12 HB2 ARG 12 22.112 11.201 10.807 98 HB3 ARG 12 HB1 ARG 12 21.669 11.607 9.154 99 HG2 ARG 12 HG2 ARG 12 19.926 9.839 9.196 100 HG3 ARG 12 HG1 ARG 12 20.373 9.443 10.860 101 HD2 ARG 12 HD2 ARG 12 19.173 12.044 9.846 102 HD3 ARG 12 HD1 ARG 12 18.411 10.856 10.912 103 HE ARG 12 HE ARG 12 20.874 12.063 11.897 104 HH11 ARG 12 HH11 ARG 12 17.365 12.143 12.018 105 HH12 ARG 12 HH12 ARG 12 17.332 13.168 13.416 106 HH21 ARG 12 HH21 ARG 12 20.812 13.394 13.688 107 HH22 ARG 12 HH22 ARG 12 19.291 13.879 14.357 108 H VAL 13 HN VAL 13 23.335 9.298 11.768 109 HA VAL 13 HA VAL 13 22.415 6.471 11.758 110 HB VAL 13 HB VAL 13 24.605 7.699 13.499 111 HG11 VAL 13 HG11 VAL 13 23.647 4.807 13.337 112 HG12 VAL 13 HG12 VAL 13 23.379 5.908 14.692 113 HG13 VAL 13 HG13 VAL 13 25.016 5.381 14.294 114 HG21 VAL 13 HG21 VAL 13 26.188 6.264 12.251 115 HG22 VAL 13 HG22 VAL 13 25.391 7.423 11.184 116 HG23 VAL 13 HG23 VAL 13 24.876 5.735 11.194 117 H VAL 14 HN VAL 14 20.627 6.209 12.924 118 HA VAL 14 HA VAL 14 20.152 7.764 15.405 119 HB VAL 14 HB VAL 14 18.090 7.138 13.231 120 HG11 VAL 14 HG11 VAL 14 16.382 8.204 14.699 121 HG12 VAL 14 HG12 VAL 14 17.570 8.277 16.003 122 HG13 VAL 14 HG13 VAL 14 17.024 6.713 15.397 123 HG21 VAL 14 HG21 VAL 14 18.993 9.802 14.377 124 HG22 VAL 14 HG22 VAL 14 17.743 9.583 13.148 125 HG23 VAL 14 HG23 VAL 14 19.419 9.161 12.788 126 H ASN 15 HN ASN 15 19.843 6.455 17.087 127 HA ASN 15 HA ASN 15 19.428 4.691 18.444 128 HB2 ASN 15 HB2 ASN 15 17.797 3.496 16.153 129 HB3 ASN 15 HB1 ASN 15 17.724 2.996 17.838 130 HD21 ASN 15 HD21 ASN 15 17.723 5.690 18.948 131 HD22 ASN 15 HD22 ASN 15 16.177 6.356 18.577 132 H GLY 16 HN GLY 16 21.640 4.723 16.407 133 HA2 GLY 16 HA2 GLY 16 23.499 3.334 16.101 134 HA3 GLY 16 HA1 GLY 16 22.565 1.953 16.651 135 H LYS 17 HN LYS 17 20.399 3.027 14.656 136 HA LYS 17 HA LYS 17 21.136 1.247 12.503 137 HB2 LYS 17 HB2 LYS 17 18.889 1.085 12.125 138 HB3 LYS 17 HB1 LYS 17 18.702 1.942 13.646 139 HG2 LYS 17 HG2 LYS 17 18.532 4.089 12.372 140 HG3 LYS 17 HG1 LYS 17 18.645 3.174 10.866 141 HD2 LYS 17 HD2 LYS 17 16.307 3.646 11.282 142 HD3 LYS 17 HD1 LYS 17 16.567 1.917 11.534 143 HE2 LYS 17 HE2 LYS 17 15.137 2.763 13.289 144 HE3 LYS 17 HE1 LYS 17 16.704 2.352 13.989 145 HZ1 LYS 17 HZ1 LYS 17 17.293 4.686 13.955 146 HZ2 LYS 17 HZ2 LYS 17 15.852 4.471 14.810 147 HZ3 LYS 17 HZ3 LYS 17 15.817 5.090 13.233 148 H VAL 18 HN VAL 18 20.783 1.950 10.205 149 HA VAL 18 HA VAL 18 22.282 4.471 9.723 150 HB VAL 18 HB VAL 18 22.196 1.933 8.020 151 HG11 VAL 18 HG11 VAL 18 23.838 4.465 7.641 152 HG12 VAL 18 HG12 VAL 18 22.497 3.939 6.622 153 HG13 VAL 18 HG13 VAL 18 23.988 2.996 6.672 154 HG21 VAL 18 HG21 VAL 18 24.452 3.014 9.754 155 HG22 VAL 18 HG22 VAL 18 24.552 1.594 8.708 156 HG23 VAL 18 HG23 VAL 18 23.473 1.586 10.106 157 H GLU 19 HN GLU 19 20.844 6.007 9.132 158 HA GLU 19 HA GLU 19 18.565 5.325 7.384 159 HB2 GLU 19 HB2 GLU 19 18.986 7.690 9.249 160 HB3 GLU 19 HB1 GLU 19 17.599 7.508 8.172 161 HG2 GLU 19 HG2 GLU 19 16.972 5.422 9.344 162 HG3 GLU 19 HG1 GLU 19 18.345 5.624 10.432 163 H TYR 20 HN TYR 20 18.013 6.661 5.691 164 HA TYR 20 HA TYR 20 20.061 8.462 4.552 165 HB2 TYR 20 HB2 TYR 20 18.499 6.272 3.090 166 HB3 TYR 20 HB1 TYR 20 19.469 7.493 2.294 167 HD1 TYR 20 HD1 TYR 20 19.627 4.455 4.420 168 HD2 TYR 20 HD2 TYR 20 21.890 7.288 2.173 169 HE1 TYR 20 HE1 TYR 20 21.607 3.020 4.560 170 HE2 TYR 20 HE2 TYR 20 23.855 5.846 2.304 171 HH TYR 20 HH TYR 20 23.687 2.633 3.335 172 H PHE 21 HN PHE 21 19.100 10.354 3.764 173 HA PHE 21 HA PHE 21 16.250 10.742 4.005 174 HB2 PHE 21 HB2 PHE 21 18.018 12.535 4.486 175 HB3 PHE 21 HB1 PHE 21 18.287 12.645 2.752 176 HD1 PHE 21 HD1 PHE 21 16.524 13.599 1.274 177 HD2 PHE 21 HD2 PHE 21 16.032 13.472 5.518 178 HE1 PHE 21 HE1 PHE 21 14.687 15.218 1.116 179 HE2 PHE 21 HE2 PHE 21 14.202 15.094 5.351 180 HZ PHE 21 HZ PHE 21 13.524 15.966 3.151 181 H LEU 22 HN LEU 22 15.059 9.716 2.518 182 HA LEU 22 HA LEU 22 15.971 9.292 -0.200 183 HB2 LEU 22 HB2 LEU 22 13.736 8.225 1.502 184 HB3 LEU 22 HB1 LEU 22 13.493 8.212 -0.234 185 HG LEU 22 HG LEU 22 15.619 6.901 -0.481 186 HD11 LEU 22 HD11 LEU 22 16.569 5.748 1.462 187 HD12 LEU 22 HD12 LEU 22 15.535 6.696 2.531 188 HD13 LEU 22 HD13 LEU 22 16.773 7.496 1.561 189 HD21 LEU 22 HD21 LEU 22 13.402 5.836 -0.531 190 HD22 LEU 22 HD22 LEU 22 13.491 5.575 1.214 191 HD23 LEU 22 HD23 LEU 22 14.638 4.773 0.140 192 H LYS 23 HN LYS 23 15.759 10.920 -1.567 193 HA LYS 23 HA LYS 23 13.579 12.766 -1.636 194 HB2 LYS 23 HB2 LYS 23 15.992 13.023 -2.672 195 HB3 LYS 23 HB1 LYS 23 15.360 12.107 -4.029 196 HG2 LYS 23 HG2 LYS 23 14.274 14.761 -3.014 197 HG3 LYS 23 HG1 LYS 23 15.337 14.559 -4.411 198 HD2 LYS 23 HD2 LYS 23 13.557 13.225 -5.537 199 HD3 LYS 23 HD1 LYS 23 12.504 13.467 -4.135 200 HE2 LYS 23 HE2 LYS 23 13.603 15.695 -5.885 201 HE3 LYS 23 HE1 LYS 23 11.971 15.029 -5.985 202 HZ1 LYS 23 HZ1 LYS 23 11.604 15.736 -3.684 203 HZ2 LYS 23 HZ2 LYS 23 11.980 17.043 -4.689 204 HZ3 LYS 23 HZ3 LYS 23 13.150 16.422 -3.637 205 H TRP 24 HN TRP 24 11.652 11.585 -1.682 206 HA TRP 24 HA TRP 24 11.095 9.388 -3.378 207 HB2 TRP 24 HB2 TRP 24 9.144 11.411 -2.187 208 HB3 TRP 24 HB1 TRP 24 8.703 9.848 -2.874 209 HD1 TRP 24 HD1 TRP 24 9.483 11.420 0.350 210 HE1 TRP 24 HE1 TRP 24 9.872 9.654 2.162 211 HE3 TRP 24 HE3 TRP 24 9.975 7.300 -2.620 212 HZ2 TRP 24 HZ2 TRP 24 10.325 6.895 2.334 213 HZ3 TRP 24 HZ3 TRP 24 10.382 5.123 -1.554 214 HH2 TRP 24 HH2 TRP 24 10.557 4.928 0.878 215 H LYS 25 HN LYS 25 10.719 9.335 -5.475 216 HA LYS 25 HA LYS 25 11.311 11.541 -7.119 217 HB2 LYS 25 HB2 LYS 25 11.828 9.146 -7.598 218 HB3 LYS 25 HB1 LYS 25 10.111 8.846 -7.860 219 HG2 LYS 25 HG2 LYS 25 10.106 10.298 -9.808 220 HG3 LYS 25 HG1 LYS 25 11.776 10.791 -9.494 221 HD2 LYS 25 HD2 LYS 25 12.471 8.389 -9.819 222 HD3 LYS 25 HD1 LYS 25 10.809 8.015 -10.287 223 HE2 LYS 25 HE2 LYS 25 10.992 9.501 -12.226 224 HE3 LYS 25 HE1 LYS 25 12.609 10.006 -11.725 225 HZ1 LYS 25 HZ1 LYS 25 12.734 8.344 -13.440 226 HZ2 LYS 25 HZ2 LYS 25 11.805 7.264 -12.527 227 HZ3 LYS 25 HZ3 LYS 25 13.345 7.717 -11.994 228 H GLY 26 HN GLY 26 9.988 13.167 -7.582 229 HA2 GLY 26 HA2 GLY 26 8.139 14.155 -8.646 230 HA3 GLY 26 HA1 GLY 26 7.177 12.721 -8.336 231 H PHE 27 HN PHE 27 8.666 13.312 -5.486 232 HA PHE 27 HA PHE 27 6.442 14.952 -4.400 233 HB2 PHE 27 HB2 PHE 27 8.204 12.876 -3.008 234 HB3 PHE 27 HB1 PHE 27 6.955 13.831 -2.217 235 HD1 PHE 27 HD1 PHE 27 7.573 11.033 -4.560 236 HD2 PHE 27 HD2 PHE 27 4.581 13.297 -2.505 237 HE1 PHE 27 HE1 PHE 27 5.908 9.295 -5.059 238 HE2 PHE 27 HE2 PHE 27 2.921 11.552 -3.011 239 HZ PHE 27 HZ PHE 27 3.581 9.550 -4.288 240 H THR 28 HN THR 28 6.876 16.664 -3.080 241 HA THR 28 HA THR 28 9.233 18.145 -3.511 242 HB THR 28 HB THR 28 7.131 19.295 -3.079 243 HG1 THR 28 HG1 THR 28 8.834 20.555 -2.487 244 HG21 THR 28 HG21 THR 28 6.093 17.721 -1.505 245 HG22 THR 28 HG22 THR 28 6.073 19.368 -0.863 246 HG23 THR 28 HG23 THR 28 7.249 18.196 -0.261 247 H ASP 29 HN ASP 29 10.789 18.922 -1.955 248 HA ASP 29 HA ASP 29 12.074 16.735 -0.657 249 HB2 ASP 29 HB2 ASP 29 12.802 19.681 -0.822 250 HB3 ASP 29 HB1 ASP 29 13.844 18.461 -0.094 251 H ALA 30 HN ALA 30 10.045 19.292 0.535 252 HA ALA 30 HA ALA 30 10.655 18.975 3.322 253 HB1 ALA 30 HB1 ALA 30 8.617 20.297 3.710 254 HB2 ALA 30 HB2 ALA 30 8.157 20.104 2.015 255 HB3 ALA 30 HB3 ALA 30 9.605 21.019 2.439 256 H ASP 31 HN ASP 31 8.508 17.382 1.054 257 HA ASP 31 HA ASP 31 7.042 15.823 3.010 258 HB2 ASP 31 HB2 ASP 31 5.933 16.450 0.937 259 HB3 ASP 31 HB1 ASP 31 7.202 15.710 -0.030 260 H ASN 32 HN ASN 32 9.916 15.426 1.020 261 HA ASN 32 HA ASN 32 10.196 12.632 1.114 262 HB2 ASN 32 HB2 ASN 32 12.354 14.763 0.883 263 HB3 ASN 32 HB1 ASN 32 12.587 13.055 0.539 264 HD21 ASN 32 HD21 ASN 32 9.821 12.930 -0.751 265 HD22 ASN 32 HD22 ASN 32 10.064 13.647 -2.300 266 H THR 33 HN THR 33 11.570 11.262 2.471 267 HA THR 33 HA THR 33 11.636 12.240 5.290 268 HB THR 33 HB THR 33 10.596 10.052 5.981 269 HG1 THR 33 HG1 THR 33 10.628 8.572 4.467 270 HG21 THR 33 HG21 THR 33 9.128 12.034 5.742 271 HG22 THR 33 HG22 THR 33 8.276 10.548 5.307 272 HG23 THR 33 HG23 THR 33 8.868 11.629 4.044 273 H TRP 34 HN TRP 34 12.717 10.671 6.787 274 HA TRP 34 HA TRP 34 15.195 9.570 5.697 275 HB2 TRP 34 HB2 TRP 34 14.174 9.871 8.555 276 HB3 TRP 34 HB1 TRP 34 15.699 9.085 8.154 277 HD1 TRP 34 HD1 TRP 34 14.141 12.527 8.570 278 HE1 TRP 34 HE1 TRP 34 15.984 14.308 8.352 279 HE3 TRP 34 HE3 TRP 34 17.947 9.555 6.901 280 HZ2 TRP 34 HZ2 TRP 34 18.686 14.443 7.557 281 HZ3 TRP 34 HZ3 TRP 34 20.126 10.582 6.415 282 HH2 TRP 34 HH2 TRP 34 20.486 12.980 6.742 283 H GLU 35 HN GLU 35 15.097 7.554 4.890 284 HA GLU 35 HA GLU 35 13.629 5.444 6.358 285 HB2 GLU 35 HB2 GLU 35 14.411 5.517 3.428 286 HB3 GLU 35 HB1 GLU 35 13.599 4.169 4.216 287 HG2 GLU 35 HG2 GLU 35 12.495 6.931 3.631 288 HG3 GLU 35 HG1 GLU 35 12.003 5.399 2.918 289 HA PRO 36 HA PRO 36 17.827 3.800 6.958 290 HB2 PRO 36 HB2 PRO 36 17.164 1.462 8.194 291 HB3 PRO 36 HB1 PRO 36 17.098 3.029 9.016 292 HG2 PRO 36 HG2 PRO 36 14.850 1.449 7.772 293 HG3 PRO 36 HG1 PRO 36 14.892 2.294 9.333 294 HD2 PRO 36 HD2 PRO 36 13.734 3.369 7.093 295 HD3 PRO 36 HD1 PRO 36 14.474 4.370 8.362 296 H GLU 37 HN GLU 37 19.124 2.189 6.042 297 HA GLU 37 HA GLU 37 18.548 1.311 3.443 298 HB2 GLU 37 HB2 GLU 37 20.635 -0.305 3.938 299 HB3 GLU 37 HB1 GLU 37 20.834 1.423 3.728 300 HG2 GLU 37 HG2 GLU 37 22.172 0.556 5.595 301 HG3 GLU 37 HG1 GLU 37 21.004 1.763 6.117 302 H GLU 38 HN GLU 38 18.008 -0.263 6.488 303 HA GLU 38 HA GLU 38 17.653 -2.944 5.589 304 HB2 GLU 38 HB2 GLU 38 16.795 -3.346 7.873 305 HB3 GLU 38 HB1 GLU 38 18.237 -2.333 7.937 306 HG2 GLU 38 HG2 GLU 38 16.808 -0.329 8.173 307 HG3 GLU 38 HG1 GLU 38 15.376 -1.352 8.150 308 H ASN 39 HN ASN 39 15.751 -0.217 5.096 309 HA ASN 39 HA ASN 39 13.168 -1.676 4.999 310 HB2 ASN 39 HB2 ASN 39 13.411 0.220 6.700 311 HB3 ASN 39 HB1 ASN 39 13.647 1.332 5.354 312 HD21 ASN 39 HD21 ASN 39 11.821 2.527 5.823 313 HD22 ASN 39 HD22 ASN 39 10.220 1.927 5.570 314 H LEU 40 HN LEU 40 15.615 -0.389 3.069 315 HA LEU 40 HA LEU 40 13.944 0.768 0.972 316 HB2 LEU 40 HB2 LEU 40 16.957 0.299 0.899 317 HB3 LEU 40 HB1 LEU 40 16.018 1.341 -0.166 318 HG LEU 40 HG LEU 40 16.762 1.790 2.734 319 HD11 LEU 40 HD11 LEU 40 17.582 3.961 1.922 320 HD12 LEU 40 HD12 LEU 40 17.117 3.526 0.273 321 HD13 LEU 40 HD13 LEU 40 18.366 2.607 1.113 322 HD21 LEU 40 HD21 LEU 40 14.428 2.259 2.713 323 HD22 LEU 40 HD22 LEU 40 14.558 3.197 1.226 324 HD23 LEU 40 HD23 LEU 40 15.291 3.795 2.716 325 H ASP 41 HN ASP 41 13.517 -0.088 -1.022 326 HA ASP 41 HA ASP 41 14.229 -2.894 -1.566 327 HB2 ASP 41 HB2 ASP 41 12.427 -1.005 -3.145 328 HB3 ASP 41 HB1 ASP 41 12.641 -2.725 -3.460 329 H CYS 42 HN CYS 42 15.566 0.101 -2.082 330 HA CYS 42 HA CYS 42 16.707 -0.495 -4.753 331 HB2 CYS 42 HB2 CYS 42 17.196 1.969 -4.777 332 HB3 CYS 42 HB1 CYS 42 15.481 1.600 -4.655 333 HG CYS 42 HG CYS 42 17.345 2.388 -1.893 334 HA PRO 43 HA PRO 43 20.550 -1.022 -2.164 335 HB2 PRO 43 HB2 PRO 43 21.776 -2.849 -3.779 336 HB3 PRO 43 HB1 PRO 43 20.521 -3.320 -2.624 337 HG2 PRO 43 HG2 PRO 43 20.272 -2.831 -5.594 338 HG3 PRO 43 HG1 PRO 43 19.602 -4.160 -4.623 339 HD2 PRO 43 HD2 PRO 43 18.125 -1.977 -5.377 340 HD3 PRO 43 HD1 PRO 43 17.809 -2.878 -3.877 341 H GLU 44 HN GLU 44 19.998 -0.347 -5.569 342 HA GLU 44 HA GLU 44 22.556 0.397 -6.420 343 HB2 GLU 44 HB2 GLU 44 20.648 -0.030 -7.976 344 HB3 GLU 44 HB1 GLU 44 19.865 1.446 -7.413 345 HG2 GLU 44 HG2 GLU 44 21.957 2.696 -8.237 346 HG3 GLU 44 HG1 GLU 44 22.420 1.193 -9.030 347 H LEU 45 HN LEU 45 19.917 2.369 -5.049 348 HA LEU 45 HA LEU 45 21.217 4.898 -5.392 349 HB2 LEU 45 HB2 LEU 45 18.858 4.159 -3.625 350 HB3 LEU 45 HB1 LEU 45 19.349 5.801 -4.026 351 HG LEU 45 HG LEU 45 18.278 3.719 -5.980 352 HD11 LEU 45 HD11 LEU 45 16.346 5.206 -6.194 353 HD12 LEU 45 HD12 LEU 45 17.017 6.284 -4.967 354 HD13 LEU 45 HD13 LEU 45 16.541 4.638 -4.536 355 HD21 LEU 45 HD21 LEU 45 19.154 6.577 -6.528 356 HD22 LEU 45 HD22 LEU 45 18.341 5.507 -7.676 357 HD23 LEU 45 HD23 LEU 45 19.953 5.106 -7.092 358 H ILE 46 HN ILE 46 21.087 2.546 -2.788 359 HA ILE 46 HA ILE 46 22.216 4.122 -0.701 360 HB ILE 46 HB ILE 46 22.369 1.101 -1.140 361 HG12 ILE 46 HG12 ILE 46 20.407 2.727 0.551 362 HG13 ILE 46 HG11 ILE 46 20.033 1.985 -1.003 363 HG21 ILE 46 HG21 ILE 46 22.884 2.683 1.409 364 HG22 ILE 46 HG22 ILE 46 24.097 1.831 0.453 365 HG23 ILE 46 HG23 ILE 46 22.837 0.922 1.285 366 HD11 ILE 46 HD11 ILE 46 20.757 0.528 1.538 367 HD12 ILE 46 HD12 ILE 46 20.418 -0.232 -0.019 368 HD13 ILE 46 HD13 ILE 46 19.154 0.667 0.817 369 H GLU 47 HN GLU 47 23.671 1.718 -2.906 370 HA GLU 47 HA GLU 47 26.385 2.007 -2.357 371 HB2 GLU 47 HB2 GLU 47 25.268 0.261 -3.847 372 HB3 GLU 47 HB1 GLU 47 25.157 1.475 -5.113 373 HG2 GLU 47 HG2 GLU 47 27.743 0.448 -3.913 374 HG3 GLU 47 HG1 GLU 47 27.017 -0.168 -5.384 375 H ALA 48 HN ALA 48 24.368 3.688 -4.728 376 HA ALA 48 HA ALA 48 26.481 4.971 -6.069 377 HB1 ALA 48 HB1 ALA 48 23.519 5.662 -6.147 378 HB2 ALA 48 HB2 ALA 48 24.332 4.491 -7.181 379 HB3 ALA 48 HB3 ALA 48 24.739 6.201 -7.311 380 H PHE 49 HN PHE 49 24.316 5.990 -3.448 381 HA PHE 49 HA PHE 49 25.051 8.740 -3.346 382 HB2 PHE 49 HB2 PHE 49 23.044 7.988 -2.175 383 HB3 PHE 49 HB1 PHE 49 23.983 6.885 -1.171 384 HD1 PHE 49 HD2 PHE 49 23.522 10.526 -1.944 385 HD2 PHE 49 HD1 PHE 49 24.873 7.640 0.912 386 HE1 PHE 49 HE2 PHE 49 23.880 12.310 -0.297 387 HE2 PHE 49 HE1 PHE 49 25.237 9.434 2.542 388 HZ PHE 49 HZ PHE 49 24.745 11.765 1.943 389 H LEU 50 HN LEU 50 26.227 5.883 -1.554 390 HA LEU 50 HA LEU 50 28.217 7.203 -0.027 391 HB2 LEU 50 HB2 LEU 50 28.173 4.291 -0.914 392 HB3 LEU 50 HB1 LEU 50 29.120 4.948 0.417 393 HG LEU 50 HG LEU 50 26.083 4.744 0.304 394 HD11 LEU 50 HD11 LEU 50 28.063 3.230 2.023 395 HD12 LEU 50 HD12 LEU 50 27.136 2.580 0.667 396 HD13 LEU 50 HD13 LEU 50 26.301 3.123 2.121 397 HD21 LEU 50 HD21 LEU 50 26.083 5.540 2.631 398 HD22 LEU 50 HD22 LEU 50 26.697 6.758 1.517 399 HD23 LEU 50 HD23 LEU 50 27.819 5.844 2.529 400 H ASN 51 HN ASN 51 28.180 5.867 -3.225 401 HA ASN 51 HA ASN 51 30.963 5.957 -3.851 402 HB2 ASN 51 HB2 ASN 51 29.188 4.525 -4.992 403 HB3 ASN 51 HB1 ASN 51 28.564 5.983 -5.743 404 HD21 ASN 51 HD21 ASN 51 29.641 3.511 -6.890 405 HD22 ASN 51 HD22 ASN 51 30.914 4.002 -7.956 406 H SER 52 HN SER 52 28.201 8.124 -4.217 407 HA SER 52 HA SER 52 29.471 10.092 -5.849 408 HB2 SER 52 HB2 SER 52 26.985 9.761 -5.739 409 HB3 SER 52 HB1 SER 52 26.995 10.397 -4.093 410 HG SER 52 HG SER 52 27.077 12.333 -4.877 411 H GLN 53 HN GLN 53 29.245 9.584 -2.361 412 HA GLN 53 HA GLN 53 30.075 12.130 -1.448 413 HB2 GLN 53 HB2 GLN 53 30.703 9.441 -0.151 414 HB3 GLN 53 HB1 GLN 53 30.786 11.017 0.635 415 HG2 GLN 53 HG2 GLN 53 28.284 11.229 0.146 416 HG3 GLN 53 HG1 GLN 53 28.316 9.525 -0.288 417 HE21 GLN 53 HE21 GLN 53 28.813 7.986 1.380 418 HE22 GLN 53 HE22 GLN 53 28.535 8.375 3.037 419 H LYS 54 HN LYS 54 31.845 9.436 -2.844 420 HA LYS 54 HA LYS 54 34.470 10.572 -2.366 421 HB2 LYS 54 HB2 LYS 54 33.676 8.264 -4.189 422 HB3 LYS 54 HB1 LYS 54 35.311 8.674 -3.690 423 HG2 LYS 54 HG2 LYS 54 33.176 7.877 -1.691 424 HG3 LYS 54 HG1 LYS 54 34.143 6.682 -2.544 425 HD2 LYS 54 HD2 LYS 54 35.211 6.925 -0.452 426 HD3 LYS 54 HD1 LYS 54 36.218 7.852 -1.554 427 HE2 LYS 54 HE2 LYS 54 34.086 9.304 0.004 428 HE3 LYS 54 HE1 LYS 54 35.539 8.786 0.853 429 HZ1 LYS 54 HZ1 LYS 54 36.870 10.153 -0.435 430 HZ2 LYS 54 HZ2 LYS 54 35.500 11.102 -0.148 431 HZ3 LYS 54 HZ3 LYS 54 35.711 10.349 -1.642 432 H1 ALA 1 HT1 ALA 1 17.629 -0.982 -17.316 433 H2 ALA 1 HT2 ALA 1 16.189 -0.099 -17.404 434 H3 ALA 1 HT3 ALA 1 16.172 -1.777 -17.618 435 HA ALA 1 HA ALA 1 16.907 -0.366 -15.120 436 HB1 ALA 1 HB1 ALA 1 14.501 -0.175 -15.629 437 HB2 ALA 1 HB2 ALA 1 14.765 -1.227 -14.236 438 HB3 ALA 1 HB3 ALA 1 14.387 -1.927 -15.815 439 H ARG 2 HN ARG 2 17.850 -1.662 -13.569 440 HA ARG 2 HA ARG 2 18.242 -4.549 -14.169 441 HB2 ARG 2 HB2 ARG 2 20.060 -2.841 -12.404 442 HB3 ARG 2 HB1 ARG 2 20.344 -4.487 -12.951 443 HG2 ARG 2 HG2 ARG 2 21.767 -3.276 -14.334 444 HG3 ARG 2 HG1 ARG 2 20.338 -3.436 -15.354 445 HD2 ARG 2 HD2 ARG 2 21.209 -1.149 -15.480 446 HD3 ARG 2 HD1 ARG 2 19.632 -1.142 -14.690 447 HE ARG 2 HE ARG 2 20.613 -0.407 -12.750 448 HH11 ARG 2 HH11 ARG 2 23.176 -1.398 -14.924 449 HH12 ARG 2 HH12 ARG 2 24.435 -0.829 -13.879 450 HH21 ARG 2 HH21 ARG 2 22.283 0.374 -11.421 451 HH22 ARG 2 HH22 ARG 2 23.934 0.185 -11.919 452 H THR 3 HN THR 3 18.410 -2.390 -11.355 453 HA THR 3 HA THR 3 16.899 -4.304 -9.689 454 HB THR 3 HB THR 3 17.853 -2.890 -7.778 455 HG1 THR 3 HG1 THR 3 19.710 -1.908 -9.679 456 HG21 THR 3 HG21 THR 3 20.111 -3.873 -7.864 457 HG22 THR 3 HG22 THR 3 19.905 -4.215 -9.582 458 HG23 THR 3 HG23 THR 3 18.900 -5.048 -8.395 459 H LYS 4 HN LYS 4 15.299 -3.405 -8.217 460 HA LYS 4 HA LYS 4 13.621 -1.386 -9.497 461 HB2 LYS 4 HB2 LYS 4 12.688 -3.588 -8.752 462 HB3 LYS 4 HB1 LYS 4 13.081 -3.173 -7.088 463 HG2 LYS 4 HG2 LYS 4 11.507 -1.241 -7.238 464 HG3 LYS 4 HG1 LYS 4 11.065 -1.756 -8.869 465 HD2 LYS 4 HD2 LYS 4 10.662 -3.360 -6.305 466 HD3 LYS 4 HD1 LYS 4 9.399 -2.504 -7.190 467 HE2 LYS 4 HE2 LYS 4 9.771 -4.019 -9.135 468 HE3 LYS 4 HE1 LYS 4 10.997 -4.888 -8.210 469 HZ1 LYS 4 HZ1 LYS 4 9.307 -5.521 -6.626 470 HZ2 LYS 4 HZ2 LYS 4 8.855 -6.002 -8.182 471 HZ3 LYS 4 HZ3 LYS 4 8.132 -4.649 -7.473 472 H GLN 5 HN GLN 5 14.306 0.649 -9.022 473 HA GLN 5 HA GLN 5 15.220 1.503 -6.432 474 HB2 GLN 5 HB2 GLN 5 14.698 2.977 -9.031 475 HB3 GLN 5 HB1 GLN 5 15.030 3.864 -7.551 476 HG2 GLN 5 HG2 GLN 5 17.045 3.639 -8.884 477 HG3 GLN 5 HG1 GLN 5 17.210 2.762 -7.362 478 HE21 GLN 5 HE21 GLN 5 17.300 0.507 -7.401 479 HE22 GLN 5 HE22 GLN 5 17.626 -0.365 -8.847 480 H THR 6 HN THR 6 13.417 0.844 -5.189 481 HA THR 6 HA THR 6 11.355 2.919 -4.904 482 HB THR 6 HB THR 6 9.619 1.101 -4.439 483 HG1 THR 6 HG1 THR 6 11.754 -0.508 -5.350 484 HG21 THR 6 HG21 THR 6 10.702 1.132 -7.280 485 HG22 THR 6 HG22 THR 6 9.570 2.302 -6.596 486 HG23 THR 6 HG23 THR 6 9.085 0.617 -6.797 487 H ALA 7 HN ALA 7 10.114 2.426 -2.801 488 HA ALA 7 HA ALA 7 11.280 0.793 -0.813 489 HB1 ALA 7 HB1 ALA 7 11.675 3.782 -0.432 490 HB2 ALA 7 HB2 ALA 7 12.955 2.601 -0.706 491 HB3 ALA 7 HB3 ALA 7 12.000 2.535 0.776 492 H ARG 8 HN ARG 8 10.303 1.441 1.371 493 HA ARG 8 HA ARG 8 7.445 2.151 1.095 494 HB2 ARG 8 HB2 ARG 8 7.956 -0.373 1.192 495 HB3 ARG 8 HB1 ARG 8 8.613 -0.099 2.804 496 HG2 ARG 8 HG2 ARG 8 6.409 0.620 3.602 497 HG3 ARG 8 HG1 ARG 8 5.747 0.456 1.974 498 HD2 ARG 8 HD2 ARG 8 6.465 -2.024 2.120 499 HD3 ARG 8 HD1 ARG 8 6.687 -1.730 3.850 500 HE ARG 8 HE ARG 8 4.109 -1.127 2.568 501 HH11 ARG 8 HH11 ARG 8 5.887 -3.132 4.863 502 HH12 ARG 8 HH12 ARG 8 4.446 -3.798 5.556 503 HH21 ARG 8 HH21 ARG 8 2.269 -2.007 3.472 504 HH22 ARG 8 HH22 ARG 8 2.392 -3.159 4.761 505 H M3L 9 HN M3L 9 6.813 3.571 2.707 506 HA M3L 9 HA M3L 9 8.871 4.794 4.297 507 HB2 M3L 9 HB2 M3L 9 5.864 5.310 4.293 508 HB3 M3L 9 HB1 M3L 9 7.091 6.343 5.039 509 HG2 M3L 9 HG2 M3L 9 8.121 6.648 2.769 510 HG3 M3L 9 HG1 M3L 9 6.768 5.743 2.080 511 HD2 M3L 9 HD2 M3L 9 5.209 7.487 3.003 512 HD3 M3L 9 HD1 M3L 9 6.620 8.406 3.549 513 HE2 M3L 9 HE2 M3L 9 7.429 8.446 1.156 514 HE3 M3L 9 HE1 M3L 9 5.916 7.679 0.680 515 HM11 M3L 9 HH33 M3L 9 5.368 9.546 -0.863 516 HM12 M3L 9 HH31 M3L 9 6.923 10.276 -0.446 517 HM13 M3L 9 HH32 M3L 9 5.439 11.218 -0.293 518 HM21 M3L 9 HH11 M3L 9 5.967 11.728 2.086 519 HM22 M3L 9 HH12 M3L 9 7.459 10.787 1.998 520 HM23 M3L 9 HH13 M3L 9 6.263 10.423 3.244 521 HM31 M3L 9 HH21 M3L 9 3.762 10.633 1.489 522 HM32 M3L 9 HH22 M3L 9 4.098 9.334 2.637 523 HM33 M3L 9 HH23 M3L 9 3.731 8.951 0.952 524 H SER 10 HN SER 10 9.329 4.533 6.378 525 HA SER 10 HA SER 10 8.446 2.219 7.782 526 HB2 SER 10 HB2 SER 10 10.751 3.176 7.985 527 HB3 SER 10 HB1 SER 10 10.087 4.571 8.831 528 HG SER 10 HG SER 10 9.635 1.942 9.793 529 H THR 11 HN THR 11 6.305 2.285 8.188 530 HA THR 11 HA THR 11 4.837 4.532 9.155 531 HB THR 11 HB THR 11 3.791 2.759 7.766 532 HG1 THR 11 HG1 THR 11 1.884 2.968 8.745 533 HG21 THR 11 HG21 THR 11 4.018 0.973 10.220 534 HG22 THR 11 HG22 THR 11 4.915 0.761 8.714 535 HG23 THR 11 HG23 THR 11 3.160 0.579 8.727 536 H GLY 12 HN GLY 12 6.792 2.210 10.712 537 HA2 GLY 12 HA2 GLY 12 7.408 2.575 13.036 538 HA3 GLY 12 HA1 GLY 12 5.709 2.862 13.401 539 H GLY 13 HN GLY 13 7.228 0.989 14.783 540 HA2 GLY 13 HA2 GLY 13 6.899 -1.123 15.648 541 HA3 GLY 13 HA1 GLY 13 5.699 -1.438 14.397 542 H LYS 14 HN LYS 14 8.897 -0.292 13.557 543 HA LYS 14 HA LYS 14 9.490 -2.751 12.087 544 HB2 LYS 14 HB2 LYS 14 9.865 -0.499 11.021 545 HB3 LYS 14 HB1 LYS 14 11.056 -0.130 12.265 546 HG2 LYS 14 HG2 LYS 14 12.308 -2.247 11.420 547 HG3 LYS 14 HG1 LYS 14 11.245 -2.145 10.013 548 HD2 LYS 14 HD2 LYS 14 13.376 -1.034 9.524 549 HD3 LYS 14 HD1 LYS 14 12.079 0.166 9.575 550 HE2 LYS 14 HE2 LYS 14 14.160 0.925 10.726 551 HE3 LYS 14 HE1 LYS 14 12.770 0.879 11.807 552 HZ1 LYS 14 HZ1 LYS 14 13.568 -1.168 12.738 553 HZ2 LYS 14 HZ2 LYS 14 14.819 -0.031 12.781 554 HZ3 LYS 14 HZ3 LYS 14 14.827 -1.250 11.617 555 H ALA 15 HN ALA 15 9.909 -4.197 13.804 556 HA ALA 15 HA ALA 15 12.243 -3.718 15.552 557 HB1 ALA 15 HB1 ALA 15 10.165 -4.423 16.687 558 HB2 ALA 15 HB2 ALA 15 11.413 -5.663 16.843 559 HB3 ALA 15 HB3 ALA 15 10.098 -5.880 15.687 Start of MODEL 20 1 H1 GLY 1 HT1 GLY 1 1.413 2.405 -4.178 2 H2 GLY 1 HT2 GLY 1 0.615 1.020 -4.722 3 H3 GLY 1 HT3 GLY 1 2.212 1.315 -5.191 4 HA2 GLY 1 HA1 GLY 1 1.255 0.694 -2.462 5 HA3 GLY 1 HA2 GLY 1 2.171 -0.383 -3.508 6 H GLU 2 HN GLU 2 4.393 0.229 -4.046 7 HA GLU 2 HA GLU 2 5.827 1.273 -1.754 8 HB2 GLU 2 HB2 GLU 2 6.850 0.269 -4.456 9 HB3 GLU 2 HB1 GLU 2 7.881 0.700 -3.098 10 HG2 GLU 2 HG2 GLU 2 7.701 -1.699 -3.212 11 HG3 GLU 2 HG1 GLU 2 6.870 -1.127 -1.766 12 H PHE 3 HN PHE 3 7.201 3.075 -1.767 13 HA PHE 3 HA PHE 3 6.385 5.293 -3.491 14 HB2 PHE 3 HB2 PHE 3 8.304 5.259 -1.111 15 HB3 PHE 3 HB1 PHE 3 7.645 6.691 -1.895 16 HD1 PHE 3 HD1 PHE 3 6.861 3.817 0.310 17 HD2 PHE 3 HD2 PHE 3 5.418 7.475 -1.372 18 HE1 PHE 3 HE1 PHE 3 4.970 3.804 1.884 19 HE2 PHE 3 HE2 PHE 3 3.538 7.448 0.205 20 HZ PHE 3 HZ PHE 3 3.310 5.619 1.828 21 H VAL 4 HN VAL 4 7.509 5.547 -5.372 22 HA VAL 4 HA VAL 4 10.147 4.477 -5.737 23 HB VAL 4 HB VAL 4 8.543 4.594 -7.618 24 HG11 VAL 4 HG11 VAL 4 7.437 6.740 -7.162 25 HG12 VAL 4 HG12 VAL 4 8.054 6.688 -8.815 26 HG13 VAL 4 HG13 VAL 4 8.916 7.609 -7.580 27 HG21 VAL 4 HG21 VAL 4 11.117 6.136 -8.119 28 HG22 VAL 4 HG22 VAL 4 10.159 5.312 -9.352 29 HG23 VAL 4 HG23 VAL 4 10.946 4.378 -8.077 30 H VAL 5 HN VAL 5 12.012 5.417 -5.352 31 HA VAL 5 HA VAL 5 12.064 8.224 -4.439 32 HB VAL 5 HB VAL 5 12.646 6.946 -2.552 33 HG11 VAL 5 HG11 VAL 5 14.475 5.204 -4.228 34 HG12 VAL 5 HG12 VAL 5 12.886 4.753 -3.611 35 HG13 VAL 5 HG13 VAL 5 14.212 5.057 -2.484 36 HG21 VAL 5 HG21 VAL 5 14.262 8.769 -2.895 37 HG22 VAL 5 HG22 VAL 5 15.318 7.693 -3.811 38 HG23 VAL 5 HG23 VAL 5 15.043 7.405 -2.090 39 H GLU 6 HN GLU 6 13.344 9.627 -5.357 40 HA GLU 6 HA GLU 6 14.521 9.238 -7.904 41 HB2 GLU 6 HB2 GLU 6 13.571 11.407 -7.131 42 HB3 GLU 6 HB1 GLU 6 14.838 11.539 -5.925 43 HG2 GLU 6 HG2 GLU 6 15.436 12.990 -7.694 44 HG3 GLU 6 HG1 GLU 6 16.520 11.609 -7.795 45 H LYS 7 HN LYS 7 15.964 9.950 -4.700 46 HA LYS 7 HA LYS 7 18.440 8.586 -5.205 47 HB2 LYS 7 HB2 LYS 7 19.891 10.617 -5.233 48 HB3 LYS 7 HB1 LYS 7 18.821 10.562 -6.632 49 HG2 LYS 7 HG2 LYS 7 17.302 12.188 -5.549 50 HG3 LYS 7 HG1 LYS 7 18.371 12.257 -4.144 51 HD2 LYS 7 HD2 LYS 7 19.134 13.079 -6.976 52 HD3 LYS 7 HD1 LYS 7 18.651 14.189 -5.690 53 HE2 LYS 7 HE2 LYS 7 20.621 13.418 -4.350 54 HE3 LYS 7 HE1 LYS 7 21.116 12.410 -5.713 55 HZ1 LYS 7 HZ1 LYS 7 20.803 15.358 -5.810 56 HZ2 LYS 7 HZ2 LYS 7 21.394 14.367 -7.047 57 HZ3 LYS 7 HZ3 LYS 7 22.272 14.545 -5.613 58 H VAL 8 HN VAL 8 19.984 8.916 -3.433 59 HA VAL 8 HA VAL 8 18.791 9.648 -0.853 60 HB VAL 8 HB VAL 8 21.528 8.443 -1.459 61 HG11 VAL 8 HG11 VAL 8 21.528 9.689 0.660 62 HG12 VAL 8 HG12 VAL 8 21.659 7.957 0.958 63 HG13 VAL 8 HG13 VAL 8 20.117 8.777 1.216 64 HG21 VAL 8 HG21 VAL 8 19.722 6.859 -2.062 65 HG22 VAL 8 HG22 VAL 8 19.042 7.010 -0.440 66 HG23 VAL 8 HG23 VAL 8 20.636 6.288 -0.662 67 H LEU 9 HN LEU 9 19.597 11.347 0.369 68 HA LEU 9 HA LEU 9 21.194 13.380 -1.064 69 HB2 LEU 9 HB2 LEU 9 19.101 13.743 1.121 70 HB3 LEU 9 HB1 LEU 9 19.979 15.042 0.320 71 HG LEU 9 HG LEU 9 17.974 13.166 -1.019 72 HD11 LEU 9 HD11 LEU 9 17.687 16.103 -0.300 73 HD12 LEU 9 HD12 LEU 9 16.870 14.747 0.480 74 HD13 LEU 9 HD13 LEU 9 16.517 15.132 -1.201 75 HD21 LEU 9 HD21 LEU 9 18.197 14.627 -2.995 76 HD22 LEU 9 HD22 LEU 9 19.715 13.831 -2.595 77 HD23 LEU 9 HD23 LEU 9 19.480 15.534 -2.187 78 H ASP 10 HN ASP 10 20.741 11.703 2.038 79 HA ASP 10 HA ASP 10 23.364 12.435 3.004 80 HB2 ASP 10 HB2 ASP 10 21.819 14.450 3.495 81 HB3 ASP 10 HB1 ASP 10 20.980 13.416 4.641 82 H ARG 11 HN ARG 11 23.737 11.471 5.216 83 HA ARG 11 HA ARG 11 22.182 9.002 5.723 84 HB2 ARG 11 HB2 ARG 11 24.181 8.453 4.366 85 HB3 ARG 11 HB1 ARG 11 25.218 9.282 5.522 86 HG2 ARG 11 HG2 ARG 11 24.656 7.583 7.239 87 HG3 ARG 11 HG1 ARG 11 23.599 6.765 6.082 88 HD2 ARG 11 HD2 ARG 11 25.544 6.338 4.615 89 HD3 ARG 11 HD1 ARG 11 26.599 7.149 5.779 90 HE ARG 11 HE ARG 11 25.525 5.247 7.313 91 HH11 ARG 11 HH11 ARG 11 26.907 4.973 4.101 92 HH12 ARG 11 HH12 ARG 11 27.442 3.347 4.334 93 HH21 ARG 11 HH21 ARG 11 26.234 3.101 7.604 94 HH22 ARG 11 HH22 ARG 11 27.054 2.286 6.314 95 H ARG 12 HN ARG 12 21.874 8.559 7.853 96 HA ARG 12 HA ARG 12 23.463 9.893 9.966 97 HB2 ARG 12 HB2 ARG 12 21.537 10.473 11.248 98 HB3 ARG 12 HB1 ARG 12 21.084 10.917 9.604 99 HG2 ARG 12 HG2 ARG 12 19.914 8.642 9.451 100 HG3 ARG 12 HG1 ARG 12 20.167 8.494 11.191 101 HD2 ARG 12 HD2 ARG 12 18.590 10.677 9.795 102 HD3 ARG 12 HD1 ARG 12 17.910 9.286 10.643 103 HE ARG 12 HE ARG 12 19.596 11.187 12.114 104 HH11 ARG 12 HH11 ARG 12 16.437 9.700 11.647 105 HH12 ARG 12 HH12 ARG 12 15.718 10.555 12.976 106 HH21 ARG 12 HH21 ARG 12 18.654 12.254 13.855 107 HH22 ARG 12 HH22 ARG 12 16.977 12.011 14.217 108 H VAL 13 HN VAL 13 23.401 8.685 12.021 109 HA VAL 13 HA VAL 13 22.426 5.903 11.885 110 HB VAL 13 HB VAL 13 25.044 6.673 13.268 111 HG11 VAL 13 HG11 VAL 13 23.781 3.936 12.764 112 HG12 VAL 13 HG12 VAL 13 23.851 4.765 14.323 113 HG13 VAL 13 HG13 VAL 13 25.341 4.223 13.544 114 HG21 VAL 13 HG21 VAL 13 26.217 5.405 11.478 115 HG22 VAL 13 HG22 VAL 13 25.376 6.817 10.833 116 HG23 VAL 13 HG23 VAL 13 24.687 5.205 10.620 117 H VAL 14 HN VAL 14 20.740 5.939 13.257 118 HA VAL 14 HA VAL 14 20.995 7.198 15.917 119 HB VAL 14 HB VAL 14 18.414 7.249 15.830 120 HG11 VAL 14 HG11 VAL 14 18.380 9.431 14.684 121 HG12 VAL 14 HG12 VAL 14 19.955 9.084 13.965 122 HG13 VAL 14 HG13 VAL 14 19.805 9.272 15.715 123 HG21 VAL 14 HG21 VAL 14 18.058 5.783 13.868 124 HG22 VAL 14 HG22 VAL 14 18.884 6.950 12.832 125 HG23 VAL 14 HG23 VAL 14 17.348 7.376 13.594 126 H ASN 15 HN ASN 15 20.937 5.873 17.571 127 HA ASN 15 HA ASN 15 20.805 4.059 18.912 128 HB2 ASN 15 HB2 ASN 15 18.276 3.537 17.295 129 HB3 ASN 15 HB1 ASN 15 18.693 2.692 18.786 130 HD21 ASN 15 HD21 ASN 15 17.712 5.763 17.408 131 HD22 ASN 15 HD22 ASN 15 17.194 6.491 18.885 132 H GLY 16 HN GLY 16 22.309 3.807 16.405 133 HA2 GLY 16 HA2 GLY 16 23.782 2.112 15.731 134 HA3 GLY 16 HA1 GLY 16 22.695 0.898 16.387 135 H LYS 17 HN LYS 17 20.488 2.519 14.837 136 HA LYS 17 HA LYS 17 20.615 0.951 12.402 137 HB2 LYS 17 HB2 LYS 17 18.420 0.845 13.041 138 HB3 LYS 17 HB1 LYS 17 18.507 2.304 14.014 139 HG2 LYS 17 HG2 LYS 17 18.061 3.699 12.166 140 HG3 LYS 17 HG1 LYS 17 18.334 2.408 10.994 141 HD2 LYS 17 HD2 LYS 17 15.954 2.731 11.124 142 HD3 LYS 17 HD1 LYS 17 16.313 1.209 11.942 143 HE2 LYS 17 HE2 LYS 17 14.719 2.372 13.271 144 HE3 LYS 17 HE1 LYS 17 16.265 2.495 14.109 145 HZ1 LYS 17 HZ1 LYS 17 16.521 4.723 13.366 146 HZ2 LYS 17 HZ2 LYS 17 14.970 4.586 14.023 147 HZ3 LYS 17 HZ3 LYS 17 15.176 4.617 12.344 148 H VAL 18 HN VAL 18 20.375 1.918 10.315 149 HA VAL 18 HA VAL 18 21.761 4.541 10.080 150 HB VAL 18 HB VAL 18 22.093 2.097 8.262 151 HG11 VAL 18 HG11 VAL 18 23.877 3.435 7.138 152 HG12 VAL 18 HG12 VAL 18 23.451 4.825 8.140 153 HG13 VAL 18 HG13 VAL 18 22.286 4.186 6.979 154 HG21 VAL 18 HG21 VAL 18 23.221 1.774 10.437 155 HG22 VAL 18 HG22 VAL 18 24.051 3.321 10.257 156 HG23 VAL 18 HG23 VAL 18 24.416 1.992 9.153 157 H GLU 19 HN GLU 19 20.405 6.011 9.239 158 HA GLU 19 HA GLU 19 18.321 5.159 7.322 159 HB2 GLU 19 HB2 GLU 19 18.257 7.657 9.054 160 HB3 GLU 19 HB1 GLU 19 16.957 7.035 8.037 161 HG2 GLU 19 HG2 GLU 19 16.937 4.971 9.512 162 HG3 GLU 19 HG1 GLU 19 18.052 5.811 10.590 163 H TYR 20 HN TYR 20 17.790 6.575 5.621 164 HA TYR 20 HA TYR 20 19.961 8.349 4.692 165 HB2 TYR 20 HB2 TYR 20 18.465 6.205 3.109 166 HB3 TYR 20 HB1 TYR 20 19.481 7.433 2.365 167 HD1 TYR 20 HD2 TYR 20 21.959 7.356 2.641 168 HD2 TYR 20 HD1 TYR 20 19.488 4.289 4.303 169 HE1 TYR 20 HE2 TYR 20 23.936 5.931 2.944 170 HE2 TYR 20 HE1 TYR 20 21.479 2.881 4.618 171 HH TYR 20 HH TYR 20 23.720 2.625 3.667 172 H PHE 21 HN PHE 21 19.236 10.294 4.006 173 HA PHE 21 HA PHE 21 16.434 10.978 4.173 174 HB2 PHE 21 HB2 PHE 21 18.362 12.480 4.931 175 HB3 PHE 21 HB1 PHE 21 18.758 12.729 3.236 176 HD1 PHE 21 HD1 PHE 21 15.537 12.729 5.179 177 HD2 PHE 21 HD2 PHE 21 18.167 14.917 2.612 178 HE1 PHE 21 HE1 PHE 21 13.955 14.608 5.156 179 HE2 PHE 21 HE2 PHE 21 16.574 16.791 2.590 180 HZ PHE 21 HZ PHE 21 14.470 16.640 3.861 181 H LEU 22 HN LEU 22 15.150 10.441 2.524 182 HA LEU 22 HA LEU 22 16.283 10.032 -0.147 183 HB2 LEU 22 HB2 LEU 22 13.602 9.215 1.025 184 HB3 LEU 22 HB1 LEU 22 14.156 8.833 -0.601 185 HG LEU 22 HG LEU 22 15.214 7.753 2.034 186 HD11 LEU 22 HD11 LEU 22 14.657 5.583 0.975 187 HD12 LEU 22 HD12 LEU 22 13.965 6.442 -0.394 188 HD13 LEU 22 HD13 LEU 22 13.263 6.624 1.216 189 HD21 LEU 22 HD21 LEU 22 17.185 8.243 0.676 190 HD22 LEU 22 HD22 LEU 22 16.490 7.393 -0.705 191 HD23 LEU 22 HD23 LEU 22 16.924 6.501 0.756 192 H LYS 23 HN LYS 23 15.956 11.482 -1.710 193 HA LYS 23 HA LYS 23 13.708 13.310 -1.704 194 HB2 LYS 23 HB2 LYS 23 16.086 13.760 -2.739 195 HB3 LYS 23 HB1 LYS 23 15.540 12.769 -4.086 196 HG2 LYS 23 HG2 LYS 23 14.182 15.300 -3.101 197 HG3 LYS 23 HG1 LYS 23 15.290 15.227 -4.470 198 HD2 LYS 23 HD2 LYS 23 13.725 13.864 -5.726 199 HD3 LYS 23 HD1 LYS 23 12.679 13.673 -4.324 200 HE2 LYS 23 HE2 LYS 23 13.208 16.326 -5.703 201 HE3 LYS 23 HE1 LYS 23 11.774 15.321 -5.940 202 HZ1 LYS 23 HZ1 LYS 23 11.281 15.554 -3.565 203 HZ2 LYS 23 HZ2 LYS 23 11.332 17.053 -4.345 204 HZ3 LYS 23 HZ3 LYS 23 12.629 16.568 -3.375 205 H TRP 24 HN TRP 24 11.769 12.482 -2.191 206 HA TRP 24 HA TRP 24 11.437 9.939 -3.510 207 HB2 TRP 24 HB2 TRP 24 9.361 11.990 -2.643 208 HB3 TRP 24 HB1 TRP 24 9.034 10.323 -3.109 209 HD1 TRP 24 HD1 TRP 24 9.804 12.416 -0.139 210 HE1 TRP 24 HE1 TRP 24 10.159 10.936 1.931 211 HE3 TRP 24 HE3 TRP 24 10.209 7.896 -2.460 212 HZ2 TRP 24 HZ2 TRP 24 10.564 8.214 2.501 213 HZ3 TRP 24 HZ3 TRP 24 10.584 5.894 -1.085 214 HH2 TRP 24 HH2 TRP 24 10.762 6.047 1.347 215 H LYS 25 HN LYS 25 10.837 9.587 -5.633 216 HA LYS 25 HA LYS 25 11.687 11.603 -7.453 217 HB2 LYS 25 HB2 LYS 25 11.902 9.001 -7.594 218 HB3 LYS 25 HB1 LYS 25 10.287 9.043 -8.290 219 HG2 LYS 25 HG2 LYS 25 11.103 10.481 -10.115 220 HG3 LYS 25 HG1 LYS 25 12.711 10.500 -9.393 221 HD2 LYS 25 HD2 LYS 25 12.798 8.909 -11.170 222 HD3 LYS 25 HD1 LYS 25 12.767 7.971 -9.675 223 HE2 LYS 25 HE2 LYS 25 11.287 6.973 -11.354 224 HE3 LYS 25 HE1 LYS 25 10.339 7.574 -9.992 225 HZ1 LYS 25 HZ1 LYS 25 10.710 8.970 -12.593 226 HZ2 LYS 25 HZ2 LYS 25 9.791 9.535 -11.293 227 HZ3 LYS 25 HZ3 LYS 25 9.320 8.138 -12.105 228 H GLY 26 HN GLY 26 8.517 10.127 -6.808 229 HA2 GLY 26 HA2 GLY 26 7.159 11.944 -8.681 230 HA3 GLY 26 HA1 GLY 26 6.473 10.524 -7.913 231 H PHE 27 HN PHE 27 8.242 12.741 -5.889 232 HA PHE 27 HA PHE 27 5.807 14.065 -4.897 233 HB2 PHE 27 HB2 PHE 27 7.695 12.511 -3.089 234 HB3 PHE 27 HB1 PHE 27 6.356 13.501 -2.538 235 HD1 PHE 27 HD2 PHE 27 3.976 12.797 -3.233 236 HD2 PHE 27 HD1 PHE 27 7.349 10.195 -3.599 237 HE1 PHE 27 HE2 PHE 27 2.470 10.846 -3.342 238 HE2 PHE 27 HE1 PHE 27 5.841 8.258 -3.709 239 HZ PHE 27 HZ PHE 27 3.404 8.580 -3.582 240 H THR 28 HN THR 28 6.459 15.652 -3.045 241 HA THR 28 HA THR 28 8.311 17.522 -4.242 242 HB THR 28 HB THR 28 7.462 19.098 -2.479 243 HG1 THR 28 HG1 THR 28 5.474 18.017 -1.373 244 HG21 THR 28 HG21 THR 28 5.113 19.216 -3.260 245 HG22 THR 28 HG22 THR 28 5.255 17.602 -3.960 246 HG23 THR 28 HG23 THR 28 6.212 18.936 -4.612 247 H ASP 29 HN ASP 29 9.673 18.889 -2.759 248 HA ASP 29 HA ASP 29 11.685 17.365 -1.414 249 HB2 ASP 29 HB2 ASP 29 12.744 19.562 -0.966 250 HB3 ASP 29 HB1 ASP 29 12.254 19.422 -2.650 251 H ALA 30 HN ALA 30 8.889 19.181 -0.367 252 HA ALA 30 HA ALA 30 9.457 19.268 2.437 253 HB1 ALA 30 HB1 ALA 30 7.072 19.846 2.679 254 HB2 ALA 30 HB2 ALA 30 6.780 19.384 0.997 255 HB3 ALA 30 HB3 ALA 30 7.819 20.761 1.370 256 H ASP 31 HN ASP 31 8.333 16.822 0.289 257 HA ASP 31 HA ASP 31 7.105 15.104 2.284 258 HB2 ASP 31 HB2 ASP 31 6.257 15.346 -0.102 259 HB3 ASP 31 HB1 ASP 31 7.705 14.512 -0.650 260 H ASN 32 HN ASN 32 10.245 15.582 0.852 261 HA ASN 32 HA ASN 32 11.594 13.188 1.025 262 HB2 ASN 32 HB2 ASN 32 12.535 15.992 1.724 263 HB3 ASN 32 HB1 ASN 32 13.631 14.617 1.683 264 HD21 ASN 32 HD21 ASN 32 14.735 15.943 0.155 265 HD22 ASN 32 HD22 ASN 32 14.268 15.928 -1.500 266 H THR 33 HN THR 33 11.989 11.758 2.608 267 HA THR 33 HA THR 33 12.048 12.605 5.428 268 HB THR 33 HB THR 33 10.673 10.467 5.948 269 HG1 THR 33 HG1 THR 33 10.429 9.376 4.117 270 HG21 THR 33 HG21 THR 33 9.255 12.771 4.577 271 HG22 THR 33 HG22 THR 33 9.716 12.709 6.280 272 HG23 THR 33 HG23 THR 33 8.501 11.591 5.653 273 H TRP 34 HN TRP 34 13.003 11.103 6.880 274 HA TRP 34 HA TRP 34 15.270 9.646 5.819 275 HB2 TRP 34 HB2 TRP 34 14.277 10.121 8.663 276 HB3 TRP 34 HB1 TRP 34 15.721 9.188 8.278 277 HD1 TRP 34 HD1 TRP 34 14.476 12.790 8.535 278 HE1 TRP 34 HE1 TRP 34 16.498 14.368 8.313 279 HE3 TRP 34 HE3 TRP 34 17.993 9.382 7.088 280 HZ2 TRP 34 HZ2 TRP 34 19.227 14.184 7.595 281 HZ3 TRP 34 HZ3 TRP 34 20.278 10.150 6.638 282 HH2 TRP 34 HH2 TRP 34 20.885 12.508 6.890 283 H GLU 35 HN GLU 35 14.963 7.645 5.029 284 HA GLU 35 HA GLU 35 13.297 5.710 6.554 285 HB2 GLU 35 HB2 GLU 35 14.062 5.566 3.627 286 HB3 GLU 35 HB1 GLU 35 13.012 4.439 4.479 287 HG2 GLU 35 HG2 GLU 35 12.454 7.295 3.644 288 HG3 GLU 35 HG1 GLU 35 11.648 5.828 3.109 289 HA PRO 36 HA PRO 36 17.347 3.786 7.304 290 HB2 PRO 36 HB2 PRO 36 16.439 1.444 8.422 291 HB3 PRO 36 HB1 PRO 36 16.546 2.980 9.292 292 HG2 PRO 36 HG2 PRO 36 14.153 1.700 7.992 293 HG3 PRO 36 HG1 PRO 36 14.279 2.503 9.568 294 HD2 PRO 36 HD2 PRO 36 13.235 3.753 7.394 295 HD3 PRO 36 HD1 PRO 36 14.152 4.640 8.632 296 H GLU 37 HN GLU 37 18.589 1.964 6.595 297 HA GLU 37 HA GLU 37 18.154 1.312 3.886 298 HB2 GLU 37 HB2 GLU 37 20.208 -0.196 4.194 299 HB3 GLU 37 HB1 GLU 37 20.410 1.507 4.532 300 HG2 GLU 37 HG2 GLU 37 21.622 0.416 6.224 301 HG3 GLU 37 HG1 GLU 37 20.133 0.948 7.001 302 H GLU 38 HN GLU 38 17.361 -0.411 6.804 303 HA GLU 38 HA GLU 38 16.739 -2.985 5.724 304 HB2 GLU 38 HB2 GLU 38 15.504 -3.288 7.883 305 HB3 GLU 38 HB1 GLU 38 17.118 -2.619 8.126 306 HG2 GLU 38 HG2 GLU 38 16.125 -0.348 8.321 307 HG3 GLU 38 HG1 GLU 38 14.517 -1.053 8.149 308 H ASN 39 HN ASN 39 15.168 0.045 5.567 309 HA ASN 39 HA ASN 39 12.482 -1.039 5.000 310 HB2 ASN 39 HB2 ASN 39 12.899 0.681 6.838 311 HB3 ASN 39 HB1 ASN 39 13.372 1.820 5.587 312 HD21 ASN 39 HD21 ASN 39 11.761 3.241 6.104 313 HD22 ASN 39 HD22 ASN 39 10.114 2.950 5.753 314 H LEU 40 HN LEU 40 15.275 0.043 3.423 315 HA LEU 40 HA LEU 40 13.953 1.257 1.109 316 HB2 LEU 40 HB2 LEU 40 16.917 0.629 1.476 317 HB3 LEU 40 HB1 LEU 40 16.204 1.608 0.197 318 HG LEU 40 HG LEU 40 16.533 2.287 3.128 319 HD11 LEU 40 HD11 LEU 40 17.615 4.322 2.288 320 HD12 LEU 40 HD12 LEU 40 17.389 3.767 0.626 321 HD13 LEU 40 HD13 LEU 40 18.426 2.861 1.731 322 HD21 LEU 40 HD21 LEU 40 14.701 3.683 1.169 323 HD22 LEU 40 HD22 LEU 40 15.221 4.356 2.719 324 HD23 LEU 40 HD23 LEU 40 14.264 2.882 2.679 325 H ASP 41 HN ASP 41 13.546 0.263 -0.775 326 HA ASP 41 HA ASP 41 14.455 -2.513 -1.223 327 HB2 ASP 41 HB2 ASP 41 11.993 -1.983 -1.440 328 HB3 ASP 41 HB1 ASP 41 12.377 -0.880 -2.759 329 H CYS 42 HN CYS 42 15.455 0.586 -1.811 330 HA CYS 42 HA CYS 42 16.686 0.049 -4.448 331 HB2 CYS 42 HB2 CYS 42 17.024 2.544 -4.484 332 HB3 CYS 42 HB1 CYS 42 15.333 2.077 -4.365 333 HG CYS 42 HG CYS 42 17.182 3.028 -1.649 334 HA PRO 43 HA PRO 43 20.446 -0.111 -1.734 335 HB2 PRO 43 HB2 PRO 43 21.592 -2.347 -2.687 336 HB3 PRO 43 HB1 PRO 43 20.211 -2.431 -1.582 337 HG2 PRO 43 HG2 PRO 43 20.279 -2.789 -4.569 338 HG3 PRO 43 HG1 PRO 43 19.352 -3.693 -3.356 339 HD2 PRO 43 HD2 PRO 43 18.349 -1.585 -4.918 340 HD3 PRO 43 HD1 PRO 43 17.616 -2.179 -3.413 341 H GLU 44 HN GLU 44 19.891 0.051 -5.130 342 HA GLU 44 HA GLU 44 22.546 0.500 -6.085 343 HB2 GLU 44 HB2 GLU 44 20.741 -0.170 -7.616 344 HB3 GLU 44 HB1 GLU 44 19.833 1.285 -7.234 345 HG2 GLU 44 HG2 GLU 44 21.662 2.646 -8.264 346 HG3 GLU 44 HG1 GLU 44 22.478 1.153 -8.719 347 H LEU 45 HN LEU 45 19.844 2.602 -5.106 348 HA LEU 45 HA LEU 45 21.085 5.100 -5.588 349 HB2 LEU 45 HB2 LEU 45 18.698 4.220 -3.976 350 HB3 LEU 45 HB1 LEU 45 19.282 5.861 -3.784 351 HG LEU 45 HG LEU 45 18.843 6.379 -6.112 352 HD11 LEU 45 HD11 LEU 45 17.968 3.504 -6.497 353 HD12 LEU 45 HD12 LEU 45 19.400 4.265 -7.192 354 HD13 LEU 45 HD13 LEU 45 17.796 4.804 -7.678 355 HD21 LEU 45 HD21 LEU 45 16.995 6.629 -4.535 356 HD22 LEU 45 HD22 LEU 45 16.473 4.971 -4.854 357 HD23 LEU 45 HD23 LEU 45 16.397 6.185 -6.134 358 H ILE 46 HN ILE 46 21.062 2.956 -2.792 359 HA ILE 46 HA ILE 46 22.397 4.640 -0.933 360 HB ILE 46 HB ILE 46 22.472 1.585 -1.148 361 HG12 ILE 46 HG12 ILE 46 20.685 3.358 0.591 362 HG13 ILE 46 HG11 ILE 46 20.163 2.530 -0.872 363 HG21 ILE 46 HG21 ILE 46 23.139 1.588 1.235 364 HG22 ILE 46 HG22 ILE 46 23.222 3.350 1.211 365 HG23 ILE 46 HG23 ILE 46 24.336 2.402 0.223 366 HD11 ILE 46 HD11 ILE 46 21.073 1.221 1.695 367 HD12 ILE 46 HD12 ILE 46 20.608 0.364 0.222 368 HD13 ILE 46 HD13 ILE 46 19.419 1.335 1.090 369 H GLU 47 HN GLU 47 23.630 2.060 -3.081 370 HA GLU 47 HA GLU 47 26.372 2.294 -2.618 371 HB2 GLU 47 HB2 GLU 47 25.439 0.379 -3.800 372 HB3 GLU 47 HB1 GLU 47 24.836 1.407 -5.095 373 HG2 GLU 47 HG2 GLU 47 27.155 1.894 -5.791 374 HG3 GLU 47 HG1 GLU 47 27.761 0.877 -4.485 375 H ALA 48 HN ALA 48 24.345 3.896 -5.029 376 HA ALA 48 HA ALA 48 26.314 5.199 -6.548 377 HB1 ALA 48 HB1 ALA 48 24.458 6.566 -7.437 378 HB2 ALA 48 HB2 ALA 48 23.407 5.976 -6.142 379 HB3 ALA 48 HB3 ALA 48 24.020 4.856 -7.362 380 H PHE 49 HN PHE 49 24.348 6.262 -3.803 381 HA PHE 49 HA PHE 49 25.299 8.883 -3.467 382 HB2 PHE 49 HB2 PHE 49 23.309 8.177 -2.303 383 HB3 PHE 49 HB1 PHE 49 24.149 6.849 -1.516 384 HD1 PHE 49 HD2 PHE 49 24.200 10.607 -1.700 385 HD2 PHE 49 HD1 PHE 49 24.845 7.130 0.710 386 HE1 PHE 49 HE2 PHE 49 24.585 12.031 0.265 387 HE2 PHE 49 HE1 PHE 49 25.229 8.567 2.671 388 HZ PHE 49 HZ PHE 49 25.097 11.016 2.449 389 H LEU 50 HN LEU 50 26.411 5.815 -2.009 390 HA LEU 50 HA LEU 50 28.433 6.863 -0.326 391 HB2 LEU 50 HB2 LEU 50 28.257 4.082 -1.548 392 HB3 LEU 50 HB1 LEU 50 29.256 4.529 -0.172 393 HG LEU 50 HG LEU 50 26.216 4.449 -0.240 394 HD11 LEU 50 HD11 LEU 50 27.192 2.234 -0.182 395 HD12 LEU 50 HD12 LEU 50 26.425 2.606 1.360 396 HD13 LEU 50 HD13 LEU 50 28.185 2.672 1.211 397 HD21 LEU 50 HD21 LEU 50 26.259 4.964 2.158 398 HD22 LEU 50 HD22 LEU 50 26.932 6.283 1.204 399 HD23 LEU 50 HD23 LEU 50 28.009 5.194 2.084 400 H ASN 51 HN ASN 51 28.474 5.787 -3.673 401 HA ASN 51 HA ASN 51 31.325 5.870 -4.056 402 HB2 ASN 51 HB2 ASN 51 28.984 5.638 -5.989 403 HB3 ASN 51 HB1 ASN 51 30.643 5.753 -6.558 404 HD21 ASN 51 HD21 ASN 51 29.657 3.943 -3.664 405 HD22 ASN 51 HD22 ASN 51 30.010 2.390 -4.311 406 H SER 52 HN SER 52 28.609 8.060 -4.684 407 HA SER 52 HA SER 52 30.219 10.057 -6.026 408 HB2 SER 52 HB2 SER 52 27.321 10.135 -5.092 409 HB3 SER 52 HB1 SER 52 28.098 11.376 -6.081 410 HG SER 52 HG SER 52 28.595 9.148 -7.319 411 H GLN 53 HN GLN 53 30.019 9.273 -2.792 412 HA GLN 53 HA GLN 53 30.134 11.883 -1.616 413 HB2 GLN 53 HB2 GLN 53 31.224 9.209 -0.643 414 HB3 GLN 53 HB1 GLN 53 31.270 10.689 0.313 415 HG2 GLN 53 HG2 GLN 53 28.764 10.785 0.182 416 HG3 GLN 53 HG1 GLN 53 28.790 9.228 -0.642 417 HE21 GLN 53 HE21 GLN 53 27.580 8.228 0.981 418 HE22 GLN 53 HE22 GLN 53 28.244 7.859 2.533 419 H LYS 54 HN LYS 54 32.710 9.513 -2.537 420 HA LYS 54 HA LYS 54 34.638 11.766 -2.748 421 HB2 LYS 54 HB2 LYS 54 35.297 8.813 -2.287 422 HB3 LYS 54 HB1 LYS 54 36.461 10.119 -2.428 423 HG2 LYS 54 HG2 LYS 54 36.366 9.721 -0.118 424 HG3 LYS 54 HG1 LYS 54 35.324 11.131 -0.339 425 HD2 LYS 54 HD2 LYS 54 33.333 9.591 -0.328 426 HD3 LYS 54 HD1 LYS 54 34.416 8.241 0.009 427 HE2 LYS 54 HE2 LYS 54 35.051 9.268 2.147 428 HE3 LYS 54 HE1 LYS 54 34.039 10.671 1.798 429 HZ1 LYS 54 HZ1 LYS 54 32.909 9.176 3.276 430 HZ2 LYS 54 HZ2 LYS 54 33.095 7.883 2.205 431 HZ3 LYS 54 HZ3 LYS 54 32.106 9.187 1.789 432 H1 ALA 1 HT1 ALA 1 8.574 0.166 -18.370 433 H2 ALA 1 HT2 ALA 1 7.578 1.523 -18.208 434 H3 ALA 1 HT3 ALA 1 7.387 0.205 -17.169 435 HA ALA 1 HA ALA 1 9.765 1.947 -17.331 436 HB1 ALA 1 HB1 ALA 1 9.074 2.785 -15.117 437 HB2 ALA 1 HB2 ALA 1 7.626 1.773 -15.182 438 HB3 ALA 1 HB3 ALA 1 7.832 3.097 -16.332 439 H ARG 2 HN ARG 2 11.560 1.097 -16.414 440 HA ARG 2 HA ARG 2 11.446 -1.513 -15.080 441 HB2 ARG 2 HB2 ARG 2 13.195 -0.765 -16.886 442 HB3 ARG 2 HB1 ARG 2 13.973 0.116 -15.584 443 HG2 ARG 2 HG2 ARG 2 13.527 -2.898 -15.639 444 HG3 ARG 2 HG1 ARG 2 15.023 -2.083 -16.095 445 HD2 ARG 2 HD2 ARG 2 15.032 -1.123 -13.712 446 HD3 ARG 2 HD1 ARG 2 13.775 -2.304 -13.344 447 HE ARG 2 HE ARG 2 15.406 -4.048 -14.004 448 HH11 ARG 2 HH11 ARG 2 16.654 -0.898 -13.085 449 HH12 ARG 2 HH12 ARG 2 18.188 -1.522 -12.584 450 HH21 ARG 2 HH21 ARG 2 17.440 -4.847 -13.337 451 HH22 ARG 2 HH22 ARG 2 18.635 -3.750 -12.728 452 H THR 3 HN THR 3 10.199 -0.656 -13.320 453 HA THR 3 HA THR 3 11.532 1.182 -11.452 454 HB THR 3 HB THR 3 8.696 0.069 -11.312 455 HG1 THR 3 HG1 THR 3 8.132 1.594 -12.671 456 HG21 THR 3 HG21 THR 3 9.966 2.477 -9.947 457 HG22 THR 3 HG22 THR 3 9.526 0.962 -9.152 458 HG23 THR 3 HG23 THR 3 8.271 2.002 -9.829 459 H LYS 4 HN LYS 4 13.066 -0.104 -10.464 460 HA LYS 4 HA LYS 4 11.969 -2.024 -8.490 461 HB2 LYS 4 HB2 LYS 4 14.703 -2.093 -9.829 462 HB3 LYS 4 HB1 LYS 4 14.340 -2.998 -8.367 463 HG2 LYS 4 HG2 LYS 4 13.105 -3.380 -11.110 464 HG3 LYS 4 HG1 LYS 4 14.216 -4.469 -10.272 465 HD2 LYS 4 HD2 LYS 4 11.335 -3.835 -9.506 466 HD3 LYS 4 HD1 LYS 4 11.943 -5.352 -10.165 467 HE2 LYS 4 HE2 LYS 4 12.638 -4.199 -7.432 468 HE3 LYS 4 HE1 LYS 4 11.507 -5.516 -7.743 469 HZ1 LYS 4 HZ1 LYS 4 13.340 -6.825 -8.632 470 HZ2 LYS 4 HZ2 LYS 4 13.636 -6.365 -7.034 471 HZ3 LYS 4 HZ3 LYS 4 14.427 -5.572 -8.301 472 H GLN 5 HN GLN 5 13.707 0.883 -9.098 473 HA GLN 5 HA GLN 5 15.006 1.065 -6.522 474 HB2 GLN 5 HB2 GLN 5 14.674 3.211 -8.654 475 HB3 GLN 5 HB1 GLN 5 15.775 3.266 -7.275 476 HG2 GLN 5 HG2 GLN 5 15.910 1.402 -9.668 477 HG3 GLN 5 HG1 GLN 5 17.025 2.709 -9.268 478 HE21 GLN 5 HE21 GLN 5 17.524 -0.169 -9.696 479 HE22 GLN 5 HE22 GLN 5 18.319 -0.722 -8.271 480 H THR 6 HN THR 6 13.168 0.719 -5.257 481 HA THR 6 HA THR 6 11.421 3.057 -4.801 482 HB THR 6 HB THR 6 9.627 1.384 -4.096 483 HG1 THR 6 HG1 THR 6 11.598 -0.409 -5.008 484 HG21 THR 6 HG21 THR 6 9.442 2.467 -6.300 485 HG22 THR 6 HG22 THR 6 8.884 0.793 -6.383 486 HG23 THR 6 HG23 THR 6 10.475 1.222 -7.013 487 H ALA 7 HN ALA 7 10.311 2.675 -2.582 488 HA ALA 7 HA ALA 7 11.979 1.435 -0.553 489 HB1 ALA 7 HB1 ALA 7 12.226 3.514 0.757 490 HB2 ALA 7 HB2 ALA 7 11.458 4.440 -0.537 491 HB3 ALA 7 HB3 ALA 7 13.017 3.661 -0.812 492 H ARG 8 HN ARG 8 10.926 1.954 1.618 493 HA ARG 8 HA ARG 8 7.987 1.662 1.449 494 HB2 ARG 8 HB2 ARG 8 9.430 -0.499 1.593 495 HB3 ARG 8 HB1 ARG 8 9.880 0.037 3.206 496 HG2 ARG 8 HG2 ARG 8 7.595 -0.226 3.981 497 HG3 ARG 8 HG1 ARG 8 7.034 -0.571 2.337 498 HD2 ARG 8 HD2 ARG 8 8.455 -2.604 2.289 499 HD3 ARG 8 HD1 ARG 8 8.995 -2.258 3.937 500 HE ARG 8 HE ARG 8 6.198 -2.398 3.941 501 HH11 ARG 8 HH11 ARG 8 8.932 -4.545 3.469 502 HH12 ARG 8 HH12 ARG 8 8.087 -5.937 4.049 503 HH21 ARG 8 HH21 ARG 8 5.112 -4.235 4.720 504 HH22 ARG 8 HH22 ARG 8 5.937 -5.757 4.778 505 H M3L 9 HN M3L 9 7.082 1.935 3.803 506 HA M3L 9 HA M3L 9 8.742 3.782 5.424 507 HB2 M3L 9 HB2 M3L 9 5.823 4.144 4.674 508 HB3 M3L 9 HB1 M3L 9 6.609 5.034 5.984 509 HG2 M3L 9 HG2 M3L 9 8.322 5.817 4.261 510 HG3 M3L 9 HG1 M3L 9 7.245 5.157 3.017 511 HD2 M3L 9 HD2 M3L 9 5.455 6.664 3.720 512 HD3 M3L 9 HD1 M3L 9 6.427 7.236 5.082 513 HE2 M3L 9 HE2 M3L 9 8.115 8.104 3.406 514 HE3 M3L 9 HE1 M3L 9 6.976 7.675 2.123 515 HM11 M3L 9 HH33 M3L 9 6.024 10.803 4.903 516 HM12 M3L 9 HH31 M3L 9 7.542 9.912 5.050 517 HM13 M3L 9 HH32 M3L 9 6.014 9.128 5.461 518 HM21 M3L 9 HH11 M3L 9 4.372 10.173 3.090 519 HM22 M3L 9 HH12 M3L 9 4.389 8.495 3.624 520 HM23 M3L 9 HH13 M3L 9 4.764 8.891 1.945 521 HM31 M3L 9 HH21 M3L 9 8.079 10.464 2.667 522 HM32 M3L 9 HH22 M3L 9 6.553 11.334 2.508 523 HM33 M3L 9 HH23 M3L 9 6.947 10.042 1.376 524 H SER 10 HN SER 10 7.871 0.876 5.511 525 HA SER 10 HA SER 10 7.948 0.683 8.336 526 HB2 SER 10 HB2 SER 10 5.474 1.136 8.083 527 HB3 SER 10 HB1 SER 10 5.338 -0.285 7.045 528 HG SER 10 HG SER 10 6.341 -0.398 9.705 529 H THR 11 HN THR 11 9.650 -0.667 8.116 530 HA THR 11 HA THR 11 10.226 -2.650 6.299 531 HB THR 11 HB THR 11 10.945 -2.670 9.273 532 HG1 THR 11 HG1 THR 11 12.660 -1.618 7.320 533 HG21 THR 11 HG21 THR 11 13.006 -3.846 8.566 534 HG22 THR 11 HG22 THR 11 12.433 -3.862 6.897 535 HG23 THR 11 HG23 THR 11 11.571 -4.784 8.132 536 H GLY 12 HN GLY 12 8.286 -2.856 9.230 537 HA2 GLY 12 HA2 GLY 12 6.521 -4.833 8.456 538 HA3 GLY 12 HA1 GLY 12 7.843 -5.680 9.264 539 H GLY 13 HN GLY 13 8.597 -4.263 11.297 540 HA2 GLY 13 HA2 GLY 13 7.324 -2.737 12.988 541 HA3 GLY 13 HA1 GLY 13 6.261 -4.138 13.103 542 H LYS 14 HN LYS 14 9.743 -3.311 13.210 543 HA LYS 14 HA LYS 14 10.474 -5.527 14.877 544 HB2 LYS 14 HB2 LYS 14 12.086 -4.339 13.346 545 HB3 LYS 14 HB1 LYS 14 12.012 -2.927 14.387 546 HG2 LYS 14 HG2 LYS 14 14.056 -4.217 14.804 547 HG3 LYS 14 HG1 LYS 14 13.018 -4.211 16.236 548 HD2 LYS 14 HD2 LYS 14 12.243 -6.477 15.726 549 HD3 LYS 14 HD1 LYS 14 13.151 -6.485 14.212 550 HE2 LYS 14 HE2 LYS 14 14.390 -6.302 16.980 551 HE3 LYS 14 HE1 LYS 14 14.259 -7.780 16.026 552 HZ1 LYS 14 HZ1 LYS 14 15.811 -5.350 15.307 553 HZ2 LYS 14 HZ2 LYS 14 15.643 -6.709 14.321 554 HZ3 LYS 14 HZ3 LYS 14 16.442 -6.838 15.804 555 H ALA 15 HN ALA 15 9.230 -5.568 16.717 556 HA ALA 15 HA ALA 15 9.369 -3.303 18.625 557 HB1 ALA 15 HB1 ALA 15 7.111 -3.952 19.385 558 HB2 ALA 15 HB2 ALA 15 7.070 -5.245 18.184 559 HB3 ALA 15 HB3 ALA 15 7.109 -3.559 17.663
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