NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
475137 | 2kmd | 16426 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H HIS 28 H1 HIS 28 -11.379 3.941 6.001 2 HA HIS 28 HA HIS 28 -9.371 4.010 4.706 3 HB2 HIS 28 HB2 HIS 28 -8.656 6.259 5.490 4 HB3 HIS 28 HB3 HIS 28 -8.219 5.556 7.043 5 HD1 HIS 28 HD1 HIS 28 -5.739 5.639 7.085 6 HD2 HIS 28 HD2 HIS 28 -7.186 4.257 3.444 7 HE1 HIS 28 HE1 HIS 28 -3.706 4.988 5.758 8 HE2 HIS 28 HE2 HIS 28 -4.601 4.275 3.514 9 H MET 29 HN MET 29 -9.017 1.908 4.832 10 HA MET 29 HA MET 29 -8.246 -0.104 5.539 11 HB2 MET 29 HB2 MET 29 -6.382 1.222 6.549 12 HB3 MET 29 HB3 MET 29 -7.298 1.293 8.045 13 HG2 MET 29 HG2 MET 29 -7.211 -1.118 8.247 14 HG3 MET 29 HG3 MET 29 -6.360 -1.233 6.708 15 HE1 MET 29 HE1 MET 29 -3.633 -2.194 9.378 16 HE2 MET 29 HE2 MET 29 -4.502 -2.720 7.937 17 HE3 MET 29 HE3 MET 29 -5.359 -2.545 9.468 18 H GLU 30 HN GLU 30 -9.181 1.359 8.669 19 HA GLU 30 HA GLU 30 -11.516 -0.391 8.781 20 HB2 GLU 30 HB2 GLU 30 -9.583 -1.611 9.818 21 HB3 GLU 30 HB3 GLU 30 -9.472 -0.324 11.008 22 HG2 GLU 30 HG2 GLU 30 -10.651 -2.123 12.001 23 HG3 GLU 30 HG3 GLU 30 -11.816 -0.840 11.680 24 H CYS 31 HN CYS 31 -13.227 0.563 9.738 25 HA CYS 31 HA CYS 31 -12.743 3.070 11.217 26 HB2 CYS 31 HB2 CYS 31 -15.077 2.369 9.423 27 HB3 CYS 31 HB3 CYS 31 -14.940 3.846 10.372 28 HG CYS 31 HG CYS 31 -14.346 3.921 7.436 29 H ALA 32 HN ALA 32 -12.962 2.564 13.313 30 HA ALA 32 HA ALA 32 -13.827 1.820 15.279 31 HB1 ALA 32 HB1 ALA 32 -16.446 2.106 13.807 32 HB2 ALA 32 HB2 ALA 32 -15.602 3.386 14.678 33 HB3 ALA 32 HB3 ALA 32 -16.247 1.999 15.556 34 H ASP 33 HN ASP 33 -12.805 -0.250 15.003 35 HA ASP 33 HA ASP 33 -14.765 -2.418 14.687 36 HB2 ASP 33 HB2 ASP 33 -13.405 -2.254 12.630 37 HB3 ASP 33 HB3 ASP 33 -11.945 -2.460 13.592 38 H VAL 34 HN VAL 34 -14.853 -3.666 16.416 39 HA VAL 34 HA VAL 34 -12.484 -3.857 18.163 40 HB VAL 34 HB VAL 34 -15.381 -4.097 19.006 41 HG11 VAL 34 HG11 VAL 34 -12.826 -4.039 20.608 42 HG12 VAL 34 HG12 VAL 34 -13.914 -5.412 20.408 43 HG13 VAL 34 HG13 VAL 34 -14.450 -3.983 21.291 44 HG21 VAL 34 HG21 VAL 34 -13.439 -1.819 19.390 45 HG22 VAL 34 HG22 VAL 34 -15.040 -1.932 20.123 46 HG23 VAL 34 HG23 VAL 34 -14.879 -1.807 18.371 47 HA PRO 35 HA PRO 35 -12.958 -8.080 16.386 48 HB2 PRO 35 HB2 PRO 35 -10.297 -8.244 17.706 49 HB3 PRO 35 HB3 PRO 35 -10.786 -8.755 16.087 50 HG2 PRO 35 HG2 PRO 35 -9.344 -6.547 16.423 51 HG3 PRO 35 HG3 PRO 35 -10.651 -6.602 15.224 52 HD2 PRO 35 HD2 PRO 35 -10.616 -5.337 17.935 53 HD3 PRO 35 HD3 PRO 35 -11.345 -4.751 16.426 54 H LEU 36 HN LEU 36 -14.453 -9.035 17.661 55 HA LEU 36 HA LEU 36 -13.505 -10.397 20.042 56 HB2 LEU 36 HB2 LEU 36 -15.744 -8.389 20.072 57 HB3 LEU 36 HB3 LEU 36 -15.653 -9.681 21.253 58 HG LEU 36 HG LEU 36 -13.522 -7.581 20.838 59 HD11 LEU 36 HD11 LEU 36 -14.310 -6.680 22.986 60 HD12 LEU 36 HD12 LEU 36 -15.649 -7.827 22.960 61 HD13 LEU 36 HD13 LEU 36 -15.536 -6.574 21.723 62 HD21 LEU 36 HD21 LEU 36 -12.624 -9.669 21.695 63 HD22 LEU 36 HD22 LEU 36 -13.860 -9.707 22.953 64 HD23 LEU 36 HD23 LEU 36 -12.631 -8.442 22.961 65 H LEU 37 HN LEU 37 -16.662 -9.664 18.563 66 HA LEU 37 HA LEU 37 -16.938 -12.430 17.701 67 HB2 LEU 37 HB2 LEU 37 -18.762 -11.112 19.705 68 HB3 LEU 37 HB3 LEU 37 -19.271 -12.483 18.738 69 HG LEU 37 HG LEU 37 -16.929 -12.507 20.645 70 HD11 LEU 37 HD11 LEU 37 -18.338 -13.826 22.107 71 HD12 LEU 37 HD12 LEU 37 -19.682 -13.691 20.973 72 HD13 LEU 37 HD13 LEU 37 -19.081 -12.256 21.804 73 HD21 LEU 37 HD21 LEU 37 -16.996 -14.929 20.308 74 HD22 LEU 37 HD22 LEU 37 -16.694 -14.080 18.792 75 HD23 LEU 37 HD23 LEU 37 -18.297 -14.732 19.133 76 H TPO 38 HN TPO 38 -16.537 -10.450 15.993 77 HA TPO 38 HA TPO 38 -19.125 -10.180 14.658 78 HB TPO 38 HB TPO 38 -18.398 -7.800 13.991 79 HG21 TPO 38 HG21 TPO 38 -18.887 -7.681 16.887 80 HG22 TPO 38 HG22 TPO 38 -20.056 -8.616 15.955 81 HG23 TPO 38 HG23 TPO 38 -19.757 -6.925 15.552 82 HA PRO 39 HA PRO 39 -15.585 -11.727 11.989 83 HB2 PRO 39 HB2 PRO 39 -17.101 -13.684 10.810 84 HB3 PRO 39 HB3 PRO 39 -16.148 -13.926 12.278 85 HG2 PRO 39 HG2 PRO 39 -19.071 -13.348 11.993 86 HG3 PRO 39 HG3 PRO 39 -18.260 -14.515 13.056 87 HD2 PRO 39 HD2 PRO 39 -19.132 -12.155 13.980 88 HD3 PRO 39 HD3 PRO 39 -17.620 -12.876 14.572 89 H SER 40 HN SER 40 -15.389 -10.197 10.470 90 HA SER 40 HA SER 40 -17.323 -10.159 8.287 91 HB2 SER 40 HB2 SER 40 -17.307 -7.632 8.304 92 HB3 SER 40 HB3 SER 40 -18.174 -8.379 9.645 93 HG SER 40 HG SER 40 -16.760 -7.590 10.998 94 H SEP 41 HN SEP 41 -16.518 -9.363 6.324 95 HA SEP 41 HA SEP 41 -13.916 -9.976 5.668 96 HB2 SEP 41 HB2 SEP 41 -15.674 -9.760 3.986 97 HB3 SEP 41 HB3 SEP 41 -15.751 -8.017 4.267 98 H LYS 42 HN LYS 42 -15.166 -6.895 6.830 99 HA LYS 42 HA LYS 42 -12.984 -5.270 6.139 100 HB2 LYS 42 HB2 LYS 42 -13.762 -3.741 7.896 101 HB3 LYS 42 HB3 LYS 42 -15.096 -4.322 6.912 102 HG2 LYS 42 HG2 LYS 42 -15.721 -5.897 8.653 103 HG3 LYS 42 HG3 LYS 42 -14.353 -5.374 9.636 104 HD2 LYS 42 HD2 LYS 42 -15.296 -3.130 9.776 105 HD3 LYS 42 HD3 LYS 42 -16.646 -3.622 8.750 106 HE2 LYS 42 HE2 LYS 42 -17.429 -5.160 10.416 107 HE3 LYS 42 HE3 LYS 42 -15.998 -4.889 11.407 108 HZ1 LYS 42 HZ1 LYS 42 -18.103 -2.886 10.792 109 HZ2 LYS 42 HZ2 LYS 42 -16.707 -2.580 11.696 110 HZ3 LYS 42 HZ3 LYS 42 -17.867 -3.665 12.276 111 H GLU 43 HN GLU 43 -13.494 -7.360 8.955 112 HA GLU 43 HA GLU 43 -11.183 -6.518 10.369 113 HB2 GLU 43 HB2 GLU 43 -12.651 -9.158 10.516 114 HB3 GLU 43 HB3 GLU 43 -11.464 -8.586 11.680 115 HG2 GLU 43 HG2 GLU 43 -13.022 -6.578 11.988 116 HG3 GLU 43 HG3 GLU 43 -14.227 -7.564 11.162 117 H MET 44 HN MET 44 -11.779 -9.122 8.036 118 HA MET 44 HA MET 44 -9.230 -10.330 8.231 119 HB2 MET 44 HB2 MET 44 -11.247 -10.312 5.981 120 HB3 MET 44 HB3 MET 44 -9.795 -11.303 5.985 121 HG2 MET 44 HG2 MET 44 -10.592 -12.395 8.052 122 HG3 MET 44 HG3 MET 44 -12.078 -11.455 7.940 123 HE1 MET 44 HE1 MET 44 -13.623 -12.798 4.598 124 HE2 MET 44 HE2 MET 44 -12.667 -11.348 4.911 125 HE3 MET 44 HE3 MET 44 -13.938 -11.826 6.036 126 H MET 45 HN MET 45 -10.497 -7.699 6.247 127 HA MET 45 HA MET 45 -8.349 -7.418 4.476 128 HB2 MET 45 HB2 MET 45 -10.371 -5.454 5.540 129 HB3 MET 45 HB3 MET 45 -9.138 -4.975 4.382 130 HG2 MET 45 HG2 MET 45 -11.190 -7.136 3.948 131 HG3 MET 45 HG3 MET 45 -11.284 -5.493 3.319 132 HE1 MET 45 HE1 MET 45 -8.388 -4.818 2.519 133 HE2 MET 45 HE2 MET 45 -9.687 -4.551 1.355 134 HE3 MET 45 HE3 MET 45 -8.224 -5.405 0.865 135 H SER 46 HN SER 46 -8.923 -5.926 7.660 136 HA SER 46 HA SER 46 -6.544 -4.388 7.652 137 HB2 SER 46 HB2 SER 46 -8.191 -5.357 10.013 138 HB3 SER 46 HB3 SER 46 -6.964 -4.093 10.074 139 HG SER 46 HG SER 46 -8.242 -2.848 8.693 140 H GLN 47 HN GLN 47 -7.355 -7.617 8.848 141 HA GLN 47 HA GLN 47 -5.120 -8.296 10.322 142 HB2 GLN 47 HB2 GLN 47 -7.137 -9.704 10.026 143 HB3 GLN 47 HB3 GLN 47 -6.604 -10.084 8.395 144 HG2 GLN 47 HG2 GLN 47 -6.074 -11.887 9.920 145 HG3 GLN 47 HG3 GLN 47 -4.603 -11.153 9.287 146 HE21 GLN 47 HE21 GLN 47 -3.269 -9.980 10.665 147 HE22 GLN 47 HE22 GLN 47 -3.424 -10.053 12.383 148 H ALA 48 HN ALA 48 -5.568 -8.773 6.811 149 HA ALA 48 HA ALA 48 -3.016 -9.782 6.269 150 HB1 ALA 48 HB1 ALA 48 -4.798 -8.195 4.423 151 HB2 ALA 48 HB2 ALA 48 -4.903 -9.933 4.709 152 HB3 ALA 48 HB3 ALA 48 -3.469 -9.250 3.942 153 H LEU 49 HN LEU 49 -4.229 -6.439 6.021 154 HA LEU 49 HA LEU 49 -1.875 -5.236 5.119 155 HB2 LEU 49 HB2 LEU 49 -4.102 -4.122 6.821 156 HB3 LEU 49 HB3 LEU 49 -2.841 -3.142 6.098 157 HG LEU 49 HG LEU 49 -4.586 -4.883 4.385 158 HD11 LEU 49 HD11 LEU 49 -6.054 -2.928 4.051 159 HD12 LEU 49 HD12 LEU 49 -5.217 -2.104 5.366 160 HD13 LEU 49 HD13 LEU 49 -6.136 -3.573 5.690 161 HD21 LEU 49 HD21 LEU 49 -4.052 -3.178 2.703 162 HD22 LEU 49 HD22 LEU 49 -2.599 -3.925 3.365 163 HD23 LEU 49 HD23 LEU 49 -3.080 -2.315 3.895 164 H LYS 50 HN LYS 50 -3.016 -5.830 8.421 165 HA LYS 50 HA LYS 50 -0.991 -4.471 9.800 166 HB2 LYS 50 HB2 LYS 50 -2.743 -6.787 10.579 167 HB3 LYS 50 HB3 LYS 50 -1.617 -6.032 11.698 168 HG2 LYS 50 HG2 LYS 50 -2.805 -4.030 11.738 169 HG3 LYS 50 HG3 LYS 50 -3.679 -4.411 10.254 170 HD2 LYS 50 HD2 LYS 50 -5.159 -4.630 12.156 171 HD3 LYS 50 HD3 LYS 50 -4.864 -6.217 11.447 172 HE2 LYS 50 HE2 LYS 50 -3.085 -5.333 13.656 173 HE3 LYS 50 HE3 LYS 50 -4.739 -5.780 14.067 174 HZ1 LYS 50 HZ1 LYS 50 -3.323 -7.688 14.260 175 HZ2 LYS 50 HZ2 LYS 50 -2.738 -7.489 12.688 176 HZ3 LYS 50 HZ3 LYS 50 -4.353 -7.921 12.938 177 H ALA 51 HN ALA 51 -1.166 -7.829 8.687 178 HA ALA 51 HA ALA 51 1.329 -8.550 9.914 179 HB1 ALA 51 HB1 ALA 51 1.064 -10.681 8.746 180 HB2 ALA 51 HB2 ALA 51 -0.271 -10.011 7.807 181 HB3 ALA 51 HB3 ALA 51 -0.434 -10.212 9.552 182 H THR 52 HN THR 52 0.350 -7.340 6.770 183 HA THR 52 HA THR 52 2.689 -8.049 5.342 184 HB THR 52 HB THR 52 0.673 -5.856 4.828 185 HG1 THR 52 HG1 THR 52 0.990 -8.478 3.743 186 HG21 THR 52 HG21 THR 52 2.882 -6.931 3.077 187 HG22 THR 52 HG22 THR 52 2.693 -5.279 3.663 188 HG23 THR 52 HG23 THR 52 1.550 -5.936 2.492 189 H PHE 53 HN PHE 53 1.796 -5.164 7.209 190 HA PHE 53 HA PHE 53 3.718 -3.368 6.563 191 HB2 PHE 53 HB2 PHE 53 2.800 -4.023 9.368 192 HB3 PHE 53 HB3 PHE 53 3.637 -2.549 8.899 193 HD1 PHE 53 HD2 PHE 53 2.221 -2.050 6.283 194 HD2 PHE 53 HD1 PHE 53 0.766 -3.161 10.126 195 HE1 PHE 53 HE2 PHE 53 0.058 -0.998 5.765 196 HE2 PHE 53 HE1 PHE 53 -1.399 -2.112 9.613 197 HZ PHE 53 HZ PHE 53 -1.754 -1.028 7.431 198 H SER 54 HN SER 54 4.197 -5.929 9.034 199 HA SER 54 HA SER 54 6.869 -5.360 9.611 200 HB2 SER 54 HB2 SER 54 6.996 -7.657 10.487 201 HB3 SER 54 HB3 SER 54 5.497 -6.870 10.979 202 HG SER 54 HG SER 54 4.376 -8.217 9.772 203 H GLY 55 HN GLY 55 5.476 -7.225 6.962 204 HA2 GLY 55 HA2 GLY 55 8.016 -8.280 6.094 205 HA3 GLY 55 HA1 GLY 55 6.485 -8.411 5.245 206 H PHE 56 HN PHE 56 6.814 -5.210 5.959 207 HA PHE 56 HA PHE 56 7.662 -4.613 3.242 208 HB2 PHE 56 HB2 PHE 56 5.661 -3.486 4.239 209 HB3 PHE 56 HB3 PHE 56 6.729 -2.684 5.384 210 HD1 PHE 56 HD1 PHE 56 7.450 -3.302 1.807 211 HD2 PHE 56 HD2 PHE 56 6.376 -0.438 4.768 212 HE1 PHE 56 HE1 PHE 56 7.823 -1.493 0.186 213 HE2 PHE 56 HE2 PHE 56 6.748 1.377 3.148 214 HZ PHE 56 HZ PHE 56 7.473 0.849 0.855 215 H THR 57 HN THR 57 8.540 -3.510 6.530 216 HA THR 57 HA THR 57 10.797 -2.039 5.871 217 HB THR 57 HB THR 57 10.359 -3.688 8.371 218 HG1 THR 57 HG1 THR 57 9.061 -2.122 8.967 219 HG21 THR 57 HG21 THR 57 12.238 -1.389 7.813 220 HG22 THR 57 HG22 THR 57 12.680 -3.048 8.214 221 HG23 THR 57 HG23 THR 57 11.893 -2.030 9.420 222 H LYS 58 HN LYS 58 10.446 -5.515 6.204 223 HA LYS 58 HA LYS 58 13.187 -6.187 6.248 224 HB2 LYS 58 HB2 LYS 58 10.835 -7.768 5.188 225 HB3 LYS 58 HB3 LYS 58 12.432 -8.428 5.512 226 HG2 LYS 58 HG2 LYS 58 12.194 -8.104 7.843 227 HG3 LYS 58 HG3 LYS 58 10.747 -7.117 7.626 228 HD2 LYS 58 HD2 LYS 58 9.580 -9.094 6.708 229 HD3 LYS 58 HD3 LYS 58 11.019 -10.063 7.028 230 HE2 LYS 58 HE2 LYS 58 10.818 -9.677 9.392 231 HE3 LYS 58 HE3 LYS 58 9.494 -8.541 9.136 232 HZ1 LYS 58 HZ1 LYS 58 8.152 -10.359 8.273 233 HZ2 LYS 58 HZ2 LYS 58 8.680 -10.700 9.843 234 HZ3 LYS 58 HZ3 LYS 58 9.423 -11.448 8.521 235 H GLU 59 HN GLU 59 10.961 -5.404 3.672 236 HA GLU 59 HA GLU 59 12.820 -6.151 1.573 237 HB2 GLU 59 HB2 GLU 59 10.340 -6.413 1.343 238 HB3 GLU 59 HB3 GLU 59 10.190 -4.662 1.382 239 HG2 GLU 59 HG2 GLU 59 10.089 -5.354 -0.886 240 HG3 GLU 59 HG3 GLU 59 11.641 -4.558 -0.634 241 H GLN 60 HN GLN 60 11.513 -3.213 3.074 242 HA GLN 60 HA GLN 60 12.619 -1.289 1.411 243 HB2 GLN 60 HB2 GLN 60 12.215 -1.130 4.399 244 HB3 GLN 60 HB3 GLN 60 12.439 0.244 3.328 245 HG2 GLN 60 HG2 GLN 60 10.364 -0.448 2.134 246 HG3 GLN 60 HG3 GLN 60 10.125 -1.665 3.382 247 HE21 GLN 60 HE21 GLN 60 10.103 1.729 2.646 248 HE22 GLN 60 HE22 GLN 60 9.299 2.238 4.087 249 H GLN 61 HN GLN 61 14.125 -3.172 3.944 250 HA GLN 61 HA GLN 61 16.562 -1.596 3.895 251 HB2 GLN 61 HB2 GLN 61 17.416 -3.218 5.497 252 HB3 GLN 61 HB3 GLN 61 15.819 -2.669 5.980 253 HG2 GLN 61 HG2 GLN 61 14.865 -4.737 5.020 254 HG3 GLN 61 HG3 GLN 61 16.501 -5.290 4.671 255 HE21 GLN 61 HE21 GLN 61 14.157 -4.637 7.156 256 HE22 GLN 61 HE22 GLN 61 14.982 -5.459 8.432 257 H ARG 62 HN ARG 62 15.367 -4.586 2.517 258 HA ARG 62 HA ARG 62 17.849 -5.557 1.547 259 HB2 ARG 62 HB2 ARG 62 15.702 -6.866 1.877 260 HB3 ARG 62 HB3 ARG 62 15.118 -6.123 0.394 261 HG2 ARG 62 HG2 ARG 62 17.021 -7.116 -0.818 262 HG3 ARG 62 HG3 ARG 62 17.520 -7.918 0.674 263 HD2 ARG 62 HD2 ARG 62 14.933 -8.313 -0.822 264 HD3 ARG 62 HD3 ARG 62 16.261 -9.464 -0.688 265 HE ARG 62 HE ARG 62 15.678 -9.235 1.849 266 HH11 ARG 62 HH11 ARG 62 13.418 -9.388 -0.828 267 HH12 ARG 62 HH12 ARG 62 12.155 -10.089 0.124 268 HH21 ARG 62 HH21 ARG 62 14.007 -10.158 3.090 269 HH22 ARG 62 HH22 ARG 62 12.487 -10.525 2.344 270 H LEU 63 HN LEU 63 15.352 -3.454 0.167 271 HA LEU 63 HA LEU 63 16.827 -3.240 -2.362 272 HB2 LEU 63 HB2 LEU 63 14.163 -2.035 -1.631 273 HB3 LEU 63 HB3 LEU 63 14.860 -2.179 -3.233 274 HG LEU 63 HG LEU 63 13.999 -4.515 -1.525 275 HD11 LEU 63 HD11 LEU 63 12.071 -3.210 -2.176 276 HD12 LEU 63 HD12 LEU 63 12.129 -4.702 -3.115 277 HD13 LEU 63 HD13 LEU 63 12.625 -3.177 -3.850 278 HD21 LEU 63 HD21 LEU 63 15.780 -5.069 -3.089 279 HD22 LEU 63 HD22 LEU 63 14.854 -4.358 -4.412 280 HD23 LEU 63 HD23 LEU 63 14.256 -5.800 -3.590 281 H GLY 64 HN GLY 64 15.830 -1.310 0.428 282 HA2 GLY 64 HA2 GLY 64 17.238 0.541 1.108 283 HA3 GLY 64 HA1 GLY 64 17.526 0.883 -0.591 284 H ILE 65 HN ILE 65 14.341 0.119 -0.410 285 HA ILE 65 HA ILE 65 13.359 2.652 -0.991 286 HB ILE 65 HB ILE 65 11.809 0.368 0.245 287 HG12 ILE 65 HG12 ILE 65 12.085 1.039 -2.688 288 HG13 ILE 65 HG13 ILE 65 13.104 -0.148 -1.883 289 HG21 ILE 65 HG21 ILE 65 9.873 1.403 -0.887 290 HG22 ILE 65 HG22 ILE 65 10.900 2.763 -1.342 291 HG23 ILE 65 HG23 ILE 65 10.573 2.435 0.359 292 HD11 ILE 65 HD11 ILE 65 10.110 -0.269 -2.151 293 HD12 ILE 65 HD12 ILE 65 11.115 -1.453 -1.314 294 HD13 ILE 65 HD13 ILE 65 11.286 -1.225 -3.054 295 HA PRO 66 HA PRO 66 13.424 4.470 3.103 296 HB2 PRO 66 HB2 PRO 66 12.384 6.873 2.431 297 HB3 PRO 66 HB3 PRO 66 14.048 6.416 2.047 298 HG2 PRO 66 HG2 PRO 66 11.627 6.398 0.295 299 HG3 PRO 66 HG3 PRO 66 13.272 6.938 -0.078 300 HD2 PRO 66 HD2 PRO 66 12.292 4.512 -0.833 301 HD3 PRO 66 HD3 PRO 66 14.010 4.804 -0.499 302 H LYS 67 HN LYS 67 11.857 5.490 4.600 303 HA LYS 67 HA LYS 67 9.370 4.062 4.557 304 HB2 LYS 67 HB2 LYS 67 10.883 4.711 6.583 305 HB3 LYS 67 HB3 LYS 67 10.001 6.230 6.528 306 HG2 LYS 67 HG2 LYS 67 8.926 4.849 8.122 307 HG3 LYS 67 HG3 LYS 67 7.884 4.904 6.700 308 HD2 LYS 67 HD2 LYS 67 8.627 2.731 5.998 309 HD3 LYS 67 HD3 LYS 67 9.848 2.688 7.271 310 HE2 LYS 67 HE2 LYS 67 7.963 1.324 7.914 311 HE3 LYS 67 HE3 LYS 67 8.047 2.742 8.957 312 HZ1 LYS 67 HZ1 LYS 67 6.306 3.774 7.628 313 HZ2 LYS 67 HZ2 LYS 67 5.782 2.295 8.257 314 HZ3 LYS 67 HZ3 LYS 67 6.228 2.409 6.631 315 H ASP 68 HN ASP 68 10.373 7.358 3.875 316 HA ASP 68 HA ASP 68 7.662 8.366 3.827 317 HB2 ASP 68 HB2 ASP 68 9.418 9.854 4.576 318 HB3 ASP 68 HB3 ASP 68 10.300 9.627 3.072 319 HA PRO 69 HA PRO 69 7.009 7.097 -0.423 320 HB2 PRO 69 HB2 PRO 69 4.583 8.251 -0.734 321 HB3 PRO 69 HB3 PRO 69 4.824 6.789 0.228 322 HG2 PRO 69 HG2 PRO 69 4.542 9.627 1.135 323 HG3 PRO 69 HG3 PRO 69 3.812 8.159 1.809 324 HD2 PRO 69 HD2 PRO 69 6.008 9.344 2.880 325 HD3 PRO 69 HD3 PRO 69 5.713 7.598 2.972 326 H ARG 70 HN ARG 70 6.945 10.486 0.633 327 HA ARG 70 HA ARG 70 6.705 11.584 -1.987 328 HB2 ARG 70 HB2 ARG 70 7.703 12.755 0.609 329 HB3 ARG 70 HB3 ARG 70 7.639 13.677 -0.885 330 HG2 ARG 70 HG2 ARG 70 5.676 14.263 0.185 331 HG3 ARG 70 HG3 ARG 70 5.155 13.009 -0.941 332 HD2 ARG 70 HD2 ARG 70 5.159 11.363 0.830 333 HD3 ARG 70 HD3 ARG 70 5.818 12.543 1.962 334 HE ARG 70 HE ARG 70 3.253 13.169 0.729 335 HH11 ARG 70 HH11 ARG 70 4.975 11.994 3.542 336 HH12 ARG 70 HH12 ARG 70 3.655 12.286 4.621 337 HH21 ARG 70 HH21 ARG 70 1.519 13.549 2.158 338 HH22 ARG 70 HH22 ARG 70 1.694 13.167 3.838 339 H GLN 71 HN GLN 71 9.417 10.486 -0.059 340 HA GLN 71 HA GLN 71 11.320 11.475 -2.038 341 HB2 GLN 71 HB2 GLN 71 13.055 10.710 -0.484 342 HB3 GLN 71 HB3 GLN 71 11.917 11.795 0.300 343 HG2 GLN 71 HG2 GLN 71 10.772 9.844 1.275 344 HG3 GLN 71 HG3 GLN 71 11.980 8.795 0.537 345 HE21 GLN 71 HE21 GLN 71 11.400 11.243 2.958 346 HE22 GLN 71 HE22 GLN 71 12.833 10.952 3.878 347 H TRP 72 HN TRP 72 9.495 9.482 -2.906 348 HA TRP 72 HA TRP 72 11.179 7.082 -3.164 349 HB2 TRP 72 HB2 TRP 72 8.248 7.625 -3.327 350 HB3 TRP 72 HB3 TRP 72 8.883 6.360 -4.366 351 HD1 TRP 72 HD1 TRP 72 10.502 6.752 -0.967 352 HE1 TRP 72 HE1 TRP 72 9.832 4.756 0.515 353 HE3 TRP 72 HE3 TRP 72 6.917 4.690 -3.965 354 HZ2 TRP 72 HZ2 TRP 72 8.017 2.598 0.422 355 HZ3 TRP 72 HZ3 TRP 72 5.760 2.661 -3.196 356 HH2 TRP 72 HH2 TRP 72 6.302 1.639 -1.048 357 H THR 73 HN THR 73 11.138 6.049 -5.389 358 HA THR 73 HA THR 73 10.798 7.977 -7.519 359 HB THR 73 HB THR 73 13.208 7.901 -6.989 360 HG1 THR 73 HG1 THR 73 13.070 8.331 -9.089 361 HG21 THR 73 HG21 THR 73 14.466 5.832 -7.493 362 HG22 THR 73 HG22 THR 73 12.937 4.985 -7.727 363 HG23 THR 73 HG23 THR 73 13.351 5.635 -6.141 364 H GLU 74 HN GLU 74 11.193 6.637 -9.768 365 HA GLU 74 HA GLU 74 8.973 5.036 -10.094 366 HB2 GLU 74 HB2 GLU 74 11.551 4.928 -11.672 367 HB3 GLU 74 HB3 GLU 74 10.012 4.258 -12.195 368 HG2 GLU 74 HG2 GLU 74 9.036 6.510 -12.153 369 HG3 GLU 74 HG3 GLU 74 10.603 7.165 -11.684 370 H THR 75 HN THR 75 12.286 4.016 -9.326 371 HA THR 75 HA THR 75 11.849 1.253 -9.500 372 HB THR 75 HB THR 75 13.812 2.618 -7.644 373 HG1 THR 75 HG1 THR 75 14.625 3.334 -9.470 374 HG21 THR 75 HG21 THR 75 15.140 0.572 -7.989 375 HG22 THR 75 HG22 THR 75 13.828 -0.103 -8.956 376 HG23 THR 75 HG23 THR 75 13.581 0.227 -7.241 377 H HIS 76 HN HIS 76 11.885 3.358 -6.606 378 HA HIS 76 HA HIS 76 11.165 1.400 -4.741 379 HB2 HIS 76 HB2 HIS 76 10.605 4.371 -4.667 380 HB3 HIS 76 HB3 HIS 76 10.429 3.285 -3.294 381 HD1 HIS 76 HD1 HIS 76 12.452 5.760 -3.563 382 HD2 HIS 76 HD2 HIS 76 13.388 1.729 -3.911 383 HE1 HIS 76 HE1 HIS 76 14.902 5.591 -3.029 384 HE2 HIS 76 HE2 HIS 76 15.410 3.125 -3.111 385 H VAL 77 HN VAL 77 9.151 3.485 -6.752 386 HA VAL 77 HA VAL 77 6.635 2.903 -5.611 387 HB VAL 77 HB VAL 77 7.414 3.731 -8.417 388 HG11 VAL 77 HG11 VAL 77 5.033 4.288 -8.743 389 HG12 VAL 77 HG12 VAL 77 4.655 3.509 -7.206 390 HG13 VAL 77 HG13 VAL 77 5.290 2.554 -8.546 391 HG21 VAL 77 HG21 VAL 77 7.874 5.352 -6.646 392 HG22 VAL 77 HG22 VAL 77 6.202 5.239 -6.099 393 HG23 VAL 77 HG23 VAL 77 6.566 5.909 -7.689 394 H ARG 78 HN ARG 78 8.294 1.484 -8.454 395 HA ARG 78 HA ARG 78 6.297 -0.496 -8.964 396 HB2 ARG 78 HB2 ARG 78 7.731 0.288 -10.747 397 HB3 ARG 78 HB3 ARG 78 9.170 -0.217 -9.876 398 HG2 ARG 78 HG2 ARG 78 8.522 -2.547 -10.118 399 HG3 ARG 78 HG3 ARG 78 7.043 -2.058 -10.948 400 HD2 ARG 78 HD2 ARG 78 9.744 -1.229 -11.949 401 HD3 ARG 78 HD3 ARG 78 9.056 -2.797 -12.367 402 HE ARG 78 HE ARG 78 7.413 -1.727 -13.637 403 HH11 ARG 78 HH11 ARG 78 9.550 0.613 -12.129 404 HH12 ARG 78 HH12 ARG 78 9.029 1.916 -13.141 405 HH21 ARG 78 HH21 ARG 78 6.740 -0.003 -14.961 406 HH22 ARG 78 HH22 ARG 78 7.437 1.567 -14.747 407 H ASP 79 HN ASP 79 9.522 -0.637 -7.422 408 HA ASP 79 HA ASP 79 9.531 -3.374 -6.921 409 HB2 ASP 79 HB2 ASP 79 10.901 -1.020 -5.671 410 HB3 ASP 79 HB3 ASP 79 10.976 -2.562 -4.829 411 H TRP 80 HN TRP 80 8.008 -0.737 -5.149 412 HA TRP 80 HA TRP 80 7.285 -2.338 -2.906 413 HB2 TRP 80 HB2 TRP 80 7.307 -0.032 -2.412 414 HB3 TRP 80 HB3 TRP 80 6.403 0.380 -3.866 415 HD1 TRP 80 HD1 TRP 80 5.778 -1.431 -0.488 416 HE1 TRP 80 HE1 TRP 80 3.338 -0.998 0.200 417 HE3 TRP 80 HE3 TRP 80 4.232 1.198 -4.589 418 HZ2 TRP 80 HZ2 TRP 80 1.055 0.284 -0.858 419 HZ3 TRP 80 HZ3 TRP 80 1.905 1.992 -4.671 420 HH2 TRP 80 HH2 TRP 80 0.353 1.543 -2.843 421 H VAL 81 HN VAL 81 5.230 -0.869 -5.444 422 HA VAL 81 HA VAL 81 2.895 -2.142 -5.170 423 HB VAL 81 HB VAL 81 4.379 -1.660 -7.757 424 HG11 VAL 81 HG11 VAL 81 2.789 -3.393 -8.237 425 HG12 VAL 81 HG12 VAL 81 2.171 -1.871 -8.878 426 HG13 VAL 81 HG13 VAL 81 1.517 -2.527 -7.378 427 HG21 VAL 81 HG21 VAL 81 2.895 0.257 -7.953 428 HG22 VAL 81 HG22 VAL 81 3.801 0.321 -6.442 429 HG23 VAL 81 HG23 VAL 81 2.111 -0.179 -6.436 430 H MET 82 HN MET 82 5.633 -3.576 -6.960 431 HA MET 82 HA MET 82 4.479 -6.050 -7.525 432 HB2 MET 82 HB2 MET 82 6.651 -5.111 -8.424 433 HB3 MET 82 HB3 MET 82 7.402 -5.595 -6.910 434 HG2 MET 82 HG2 MET 82 6.973 -7.899 -7.350 435 HG3 MET 82 HG3 MET 82 5.985 -7.500 -8.754 436 HE1 MET 82 HE1 MET 82 8.678 -6.042 -11.217 437 HE2 MET 82 HE2 MET 82 7.697 -5.144 -10.058 438 HE3 MET 82 HE3 MET 82 6.975 -6.446 -11.003 439 H TRP 83 HN TRP 83 6.474 -5.068 -4.748 440 HA TRP 83 HA TRP 83 6.488 -7.518 -3.395 441 HB2 TRP 83 HB2 TRP 83 8.043 -5.945 -2.628 442 HB3 TRP 83 HB3 TRP 83 6.847 -4.660 -2.537 443 HD1 TRP 83 HD1 TRP 83 8.223 -7.617 -0.551 444 HE1 TRP 83 HE1 TRP 83 7.377 -7.443 1.874 445 HE3 TRP 83 HE3 TRP 83 4.923 -3.757 -1.119 446 HZ2 TRP 83 HZ2 TRP 83 5.546 -5.875 3.348 447 HZ3 TRP 83 HZ3 TRP 83 3.665 -2.979 0.846 448 HH2 TRP 83 HH2 TRP 83 3.972 -4.017 3.033 449 H ALA 84 HN ALA 84 4.159 -4.848 -3.335 450 HA ALA 84 HA ALA 84 2.575 -5.841 -1.198 451 HB1 ALA 84 HB1 ALA 84 0.914 -4.217 -1.907 452 HB2 ALA 84 HB2 ALA 84 1.745 -4.000 -3.447 453 HB3 ALA 84 HB3 ALA 84 2.523 -3.494 -1.948 454 H VAL 85 HN VAL 85 2.797 -6.643 -4.558 455 HA VAL 85 HA VAL 85 0.199 -7.862 -4.786 456 HB VAL 85 HB VAL 85 2.648 -8.029 -6.555 457 HG11 VAL 85 HG11 VAL 85 1.392 -10.063 -6.844 458 HG12 VAL 85 HG12 VAL 85 1.125 -9.019 -8.240 459 HG13 VAL 85 HG13 VAL 85 -0.113 -9.156 -6.992 460 HG21 VAL 85 HG21 VAL 85 1.486 -5.835 -6.420 461 HG22 VAL 85 HG22 VAL 85 0.020 -6.622 -7.003 462 HG23 VAL 85 HG23 VAL 85 1.454 -6.555 -8.029 463 H ASN 86 HN ASN 86 3.447 -8.846 -3.917 464 HA ASN 86 HA ASN 86 2.859 -11.668 -3.946 465 HB2 ASN 86 HB2 ASN 86 5.126 -10.878 -4.430 466 HB3 ASN 86 HB3 ASN 86 5.229 -10.147 -2.832 467 HD21 ASN 86 HD21 ASN 86 5.207 -13.130 -4.631 468 HD22 ASN 86 HD22 ASN 86 5.807 -14.131 -3.357 469 H GLU 87 HN GLU 87 2.886 -9.067 -1.575 470 HA GLU 87 HA GLU 87 2.817 -10.720 0.734 471 HB2 GLU 87 HB2 GLU 87 1.985 -7.847 0.322 472 HB3 GLU 87 HB3 GLU 87 2.044 -8.636 1.891 473 HG2 GLU 87 HG2 GLU 87 4.431 -8.410 0.084 474 HG3 GLU 87 HG3 GLU 87 4.013 -7.194 1.287 475 H PHE 88 HN PHE 88 0.320 -9.174 -1.245 476 HA PHE 88 HA PHE 88 -1.750 -10.532 0.344 477 HB2 PHE 88 HB2 PHE 88 -2.020 -8.221 -1.583 478 HB3 PHE 88 HB3 PHE 88 -3.336 -8.941 -0.667 479 HD1 PHE 88 HD2 PHE 88 -3.513 -8.588 1.740 480 HD2 PHE 88 HD1 PHE 88 -0.447 -6.737 -0.555 481 HE1 PHE 88 HE2 PHE 88 -3.084 -7.016 3.582 482 HE2 PHE 88 HE1 PHE 88 -0.014 -5.163 1.281 483 HZ PHE 88 HZ PHE 88 -1.334 -5.301 3.352 484 H SER 89 HN SER 89 0.013 -11.380 -2.176 485 HA SER 89 HA SER 89 -0.271 -12.461 -4.175 486 HB2 SER 89 HB2 SER 89 -2.519 -13.689 -2.554 487 HB3 SER 89 HB3 SER 89 -1.827 -14.385 -4.019 488 HG SER 89 HG SER 89 -0.780 -14.236 -1.446 489 H LEU 90 HN LEU 90 -1.161 -10.069 -4.650 490 HA LEU 90 HA LEU 90 -3.919 -10.028 -5.433 491 HB2 LEU 90 HB2 LEU 90 -1.759 -7.995 -5.974 492 HB3 LEU 90 HB3 LEU 90 -3.483 -7.737 -6.142 493 HG LEU 90 HG LEU 90 -2.010 -8.239 -3.556 494 HD11 LEU 90 HD11 LEU 90 -1.664 -6.005 -4.553 495 HD12 LEU 90 HD12 LEU 90 -2.537 -5.953 -3.022 496 HD13 LEU 90 HD13 LEU 90 -3.411 -5.761 -4.541 497 HD21 LEU 90 HD21 LEU 90 -4.144 -7.830 -2.463 498 HD22 LEU 90 HD22 LEU 90 -4.253 -9.223 -3.539 499 HD23 LEU 90 HD23 LEU 90 -4.934 -7.673 -4.032 500 H LYS 91 HN LYS 91 -4.275 -8.912 -7.746 501 HA LYS 91 HA LYS 91 -2.531 -9.835 -9.821 502 HB2 LYS 91 HB2 LYS 91 -3.994 -11.441 -10.864 503 HB3 LYS 91 HB3 LYS 91 -3.696 -11.939 -9.207 504 HG2 LYS 91 HG2 LYS 91 -6.163 -10.437 -10.044 505 HG3 LYS 91 HG3 LYS 91 -6.056 -12.197 -10.041 506 HD2 LYS 91 HD2 LYS 91 -5.506 -12.128 -7.634 507 HD3 LYS 91 HD3 LYS 91 -5.703 -10.375 -7.660 508 HE2 LYS 91 HE2 LYS 91 -8.033 -10.647 -8.350 509 HE3 LYS 91 HE3 LYS 91 -7.837 -12.399 -8.327 510 HZ1 LYS 91 HZ1 LYS 91 -7.401 -12.293 -5.960 511 HZ2 LYS 91 HZ2 LYS 91 -8.894 -11.581 -6.309 512 HZ3 LYS 91 HZ3 LYS 91 -7.553 -10.607 -5.974 513 H GLY 92 HN GLY 92 -3.093 -9.080 -11.896 514 HA2 GLY 92 HA2 GLY 92 -4.395 -7.897 -13.457 515 HA3 GLY 92 HA1 GLY 92 -5.494 -7.444 -12.168 516 H VAL 93 HN VAL 93 -2.639 -6.717 -10.813 517 HA VAL 93 HA VAL 93 -2.902 -3.925 -11.492 518 HB VAL 93 HB VAL 93 -2.552 -4.617 -9.144 519 HG11 VAL 93 HG11 VAL 93 -0.355 -5.323 -8.390 520 HG12 VAL 93 HG12 VAL 93 0.232 -5.332 -10.053 521 HG13 VAL 93 HG13 VAL 93 -1.013 -6.477 -9.550 522 HG21 VAL 93 HG21 VAL 93 -1.998 -2.350 -9.873 523 HG22 VAL 93 HG22 VAL 93 -0.360 -2.875 -10.266 524 HG23 VAL 93 HG23 VAL 93 -0.916 -2.897 -8.592 525 H ASP 94 HN ASP 94 -1.484 -2.680 -12.617 526 HA ASP 94 HA ASP 94 0.793 -4.078 -13.855 527 HB2 ASP 94 HB2 ASP 94 0.457 -2.852 -15.849 528 HB3 ASP 94 HB3 ASP 94 -1.142 -3.393 -15.364 529 H PHE 95 HN PHE 95 2.697 -2.863 -14.259 530 HA PHE 95 HA PHE 95 3.123 -0.748 -12.274 531 HB2 PHE 95 HB2 PHE 95 5.201 -2.187 -13.943 532 HB3 PHE 95 HB3 PHE 95 5.483 -1.185 -12.523 533 HD1 PHE 95 HD2 PHE 95 4.746 -1.995 -10.284 534 HD2 PHE 95 HD1 PHE 95 4.650 -4.472 -13.743 535 HE1 PHE 95 HE2 PHE 95 4.589 -3.984 -8.853 536 HE2 PHE 95 HE1 PHE 95 4.492 -6.467 -12.314 537 HZ PHE 95 HZ PHE 95 4.462 -6.225 -9.864 538 H GLN 96 HN GLN 96 2.477 -1.013 -15.583 539 HA GLN 96 HA GLN 96 4.080 1.055 -16.641 540 HB2 GLN 96 HB2 GLN 96 1.316 0.201 -17.532 541 HB3 GLN 96 HB3 GLN 96 2.464 1.136 -18.478 542 HG2 GLN 96 HG2 GLN 96 2.788 -1.719 -17.580 543 HG3 GLN 96 HG3 GLN 96 2.441 -1.160 -19.214 544 HE21 GLN 96 HE21 GLN 96 4.861 -1.493 -16.744 545 HE22 GLN 96 HE22 GLN 96 6.222 -1.125 -17.742 546 H LYS 97 HN LYS 97 0.859 1.043 -15.165 547 HA LYS 97 HA LYS 97 0.287 3.806 -15.483 548 HB2 LYS 97 HB2 LYS 97 -0.727 1.728 -13.541 549 HB3 LYS 97 HB3 LYS 97 -1.338 3.373 -13.605 550 HG2 LYS 97 HG2 LYS 97 -1.491 1.298 -15.774 551 HG3 LYS 97 HG3 LYS 97 -2.823 1.958 -14.827 552 HD2 LYS 97 HD2 LYS 97 -2.376 4.179 -15.802 553 HD3 LYS 97 HD3 LYS 97 -1.096 3.465 -16.786 554 HE2 LYS 97 HE2 LYS 97 -2.736 2.004 -17.861 555 HE3 LYS 97 HE3 LYS 97 -4.015 2.711 -16.875 556 HZ1 LYS 97 HZ1 LYS 97 -3.583 4.852 -17.912 557 HZ2 LYS 97 HZ2 LYS 97 -3.957 3.689 -19.082 558 HZ3 LYS 97 HZ3 LYS 97 -2.353 4.174 -18.856 559 H PHE 98 HN PHE 98 2.076 1.983 -13.046 560 HA PHE 98 HA PHE 98 2.392 4.402 -11.423 561 HB2 PHE 98 HB2 PHE 98 3.155 1.536 -10.827 562 HB3 PHE 98 HB3 PHE 98 3.353 2.891 -9.721 563 HD1 PHE 98 HD1 PHE 98 0.978 4.342 -9.672 564 HD2 PHE 98 HD2 PHE 98 1.442 0.148 -10.225 565 HE1 PHE 98 HE1 PHE 98 -1.298 3.981 -8.815 566 HE2 PHE 98 HE2 PHE 98 -0.834 -0.220 -9.371 567 HZ PHE 98 HZ PHE 98 -2.207 1.701 -8.663 568 H CYS 99 HN CYS 99 3.746 4.182 -13.992 569 HA CYS 99 HA CYS 99 6.532 3.680 -13.334 570 HB2 CYS 99 HB2 CYS 99 5.588 3.011 -15.542 571 HB3 CYS 99 HB3 CYS 99 5.321 4.710 -15.915 572 HG CYS 99 HG CYS 99 7.882 2.982 -16.669 573 H MET 100 HN MET 100 6.184 5.448 -11.629 574 HA MET 100 HA MET 100 7.462 7.856 -12.589 575 HB2 MET 100 HB2 MET 100 5.799 9.420 -11.902 576 HB3 MET 100 HB3 MET 100 4.970 8.235 -12.901 577 HG2 MET 100 HG2 MET 100 4.360 7.079 -10.703 578 HG3 MET 100 HG3 MET 100 4.865 8.577 -9.926 579 HE1 MET 100 HE1 MET 100 1.246 8.047 -12.721 580 HE2 MET 100 HE2 MET 100 2.185 6.738 -12.002 581 HE3 MET 100 HE3 MET 100 2.895 7.740 -13.268 582 H SER 101 HN SER 101 7.857 9.390 -10.684 583 HA SER 101 HA SER 101 8.994 7.834 -8.540 584 HB2 SER 101 HB2 SER 101 9.863 9.990 -7.730 585 HB3 SER 101 HB3 SER 101 10.166 9.805 -9.456 586 HG SER 101 HG SER 101 8.439 11.544 -8.122 587 H GLY 102 HN GLY 102 8.707 8.560 -6.242 588 HA2 GLY 102 HA2 GLY 102 6.089 8.106 -5.387 589 HA3 GLY 102 HA1 GLY 102 7.390 8.718 -4.378 590 H ALA 103 HN ALA 103 7.892 11.170 -5.625 591 HA ALA 103 HA ALA 103 6.059 12.868 -4.425 592 HB1 ALA 103 HB1 ALA 103 7.777 13.505 -6.823 593 HB2 ALA 103 HB2 ALA 103 8.326 13.527 -5.148 594 HB3 ALA 103 HB3 ALA 103 7.087 14.662 -5.685 595 H ALA 104 HN ALA 104 6.130 11.619 -7.733 596 HA ALA 104 HA ALA 104 3.921 13.177 -8.671 597 HB1 ALA 104 HB1 ALA 104 4.001 11.747 -10.633 598 HB2 ALA 104 HB2 ALA 104 5.068 10.619 -9.797 599 HB3 ALA 104 HB3 ALA 104 5.630 12.247 -10.178 600 H LEU 105 HN LEU 105 4.315 9.813 -7.580 601 HA LEU 105 HA LEU 105 1.717 8.889 -7.965 602 HB2 LEU 105 HB2 LEU 105 3.851 7.633 -7.264 603 HB3 LEU 105 HB3 LEU 105 3.429 8.090 -5.625 604 HG LEU 105 HG LEU 105 1.227 6.927 -5.959 605 HD11 LEU 105 HD11 LEU 105 2.588 5.909 -8.449 606 HD12 LEU 105 HD12 LEU 105 1.168 6.952 -8.390 607 HD13 LEU 105 HD13 LEU 105 1.073 5.300 -7.782 608 HD21 LEU 105 HD21 LEU 105 3.710 5.240 -6.256 609 HD22 LEU 105 HD22 LEU 105 2.154 4.699 -5.626 610 HD23 LEU 105 HD23 LEU 105 3.091 5.904 -4.744 611 H CYS 106 HN CYS 106 3.119 10.496 -5.108 612 HA CYS 106 HA CYS 106 0.758 10.386 -3.544 613 HB2 CYS 106 HB2 CYS 106 3.123 12.266 -3.369 614 HB3 CYS 106 HB3 CYS 106 1.868 12.115 -2.144 615 HG CYS 106 HG CYS 106 4.047 10.793 -1.127 616 H ALA 107 HN ALA 107 2.104 12.837 -5.714 617 HA ALA 107 HA ALA 107 0.259 14.894 -5.226 618 HB1 ALA 107 HB1 ALA 107 2.360 15.215 -6.450 619 HB2 ALA 107 HB2 ALA 107 0.974 15.826 -7.353 620 HB3 ALA 107 HB3 ALA 107 1.709 14.286 -7.800 621 H LEU 108 HN LEU 108 0.051 12.038 -7.255 622 HA LEU 108 HA LEU 108 -2.118 12.758 -8.864 623 HB2 LEU 108 HB2 LEU 108 -1.101 10.103 -7.902 624 HB3 LEU 108 HB3 LEU 108 -2.502 10.224 -8.946 625 HG LEU 108 HG LEU 108 0.234 11.285 -9.651 626 HD11 LEU 108 HD11 LEU 108 0.358 8.894 -9.513 627 HD12 LEU 108 HD12 LEU 108 0.299 9.356 -11.214 628 HD13 LEU 108 HD13 LEU 108 -1.143 8.719 -10.422 629 HD21 LEU 108 HD21 LEU 108 -0.707 11.426 -11.916 630 HD22 LEU 108 HD22 LEU 108 -1.568 12.460 -10.777 631 HD23 LEU 108 HD23 LEU 108 -2.276 10.927 -11.285 632 H GLY 109 HN GLY 109 -2.049 11.346 -5.614 633 HA2 GLY 109 HA2 GLY 109 -3.740 11.547 -4.009 634 HA3 GLY 109 HA1 GLY 109 -4.842 12.085 -5.267 635 H LYS 110 HN LYS 110 -5.851 10.364 -3.505 636 HA LYS 110 HA LYS 110 -5.519 7.632 -3.954 637 HB2 LYS 110 HB2 LYS 110 -6.731 8.516 -2.028 638 HB3 LYS 110 HB3 LYS 110 -8.005 9.114 -3.082 639 HG2 LYS 110 HG2 LYS 110 -8.502 6.789 -3.747 640 HG3 LYS 110 HG3 LYS 110 -7.279 6.230 -2.606 641 HD2 LYS 110 HD2 LYS 110 -9.370 6.034 -1.506 642 HD3 LYS 110 HD3 LYS 110 -8.567 7.444 -0.811 643 HE2 LYS 110 HE2 LYS 110 -9.879 8.894 -2.319 644 HE3 LYS 110 HE3 LYS 110 -10.719 7.467 -2.926 645 HZ1 LYS 110 HZ1 LYS 110 -12.012 8.600 -1.233 646 HZ2 LYS 110 HZ2 LYS 110 -10.755 8.429 -0.115 647 HZ3 LYS 110 HZ3 LYS 110 -11.561 7.060 -0.696 648 H GLU 111 HN GLU 111 -8.048 9.769 -5.327 649 HA GLU 111 HA GLU 111 -9.326 7.890 -6.924 650 HB2 GLU 111 HB2 GLU 111 -10.092 9.792 -8.300 651 HB3 GLU 111 HB3 GLU 111 -10.267 10.093 -6.579 652 HG2 GLU 111 HG2 GLU 111 -8.242 11.469 -6.618 653 HG3 GLU 111 HG3 GLU 111 -8.082 11.171 -8.349 654 H CYS 112 HN CYS 112 -6.582 9.990 -7.888 655 HA CYS 112 HA CYS 112 -6.410 8.972 -10.512 656 HB2 CYS 112 HB2 CYS 112 -4.364 10.322 -8.755 657 HB3 CYS 112 HB3 CYS 112 -4.049 9.885 -10.430 658 HG CYS 112 HG CYS 112 -6.818 11.499 -10.551 659 H PHE 113 HN PHE 113 -4.764 8.030 -7.502 660 HA PHE 113 HA PHE 113 -3.077 6.078 -8.624 661 HB2 PHE 113 HB2 PHE 113 -2.773 7.025 -6.362 662 HB3 PHE 113 HB3 PHE 113 -4.235 6.204 -5.829 663 HD1 PHE 113 HD2 PHE 113 -4.262 3.807 -5.486 664 HD2 PHE 113 HD1 PHE 113 -0.726 5.816 -6.735 665 HE1 PHE 113 HE2 PHE 113 -2.932 1.822 -4.900 666 HE2 PHE 113 HE1 PHE 113 0.612 3.836 -6.149 667 HZ PHE 113 HZ PHE 113 -0.491 1.835 -5.231 668 H LEU 114 HN LEU 114 -6.365 5.901 -7.307 669 HA LEU 114 HA LEU 114 -6.646 3.099 -7.493 670 HB2 LEU 114 HB2 LEU 114 -8.098 4.904 -6.270 671 HB3 LEU 114 HB3 LEU 114 -8.974 4.955 -7.788 672 HG LEU 114 HG LEU 114 -9.463 2.550 -7.585 673 HD11 LEU 114 HD11 LEU 114 -7.539 1.827 -6.324 674 HD12 LEU 114 HD12 LEU 114 -9.007 1.421 -5.435 675 HD13 LEU 114 HD13 LEU 114 -8.032 2.807 -4.944 676 HD21 LEU 114 HD21 LEU 114 -11.063 4.165 -6.730 677 HD22 LEU 114 HD22 LEU 114 -10.228 4.197 -5.176 678 HD23 LEU 114 HD23 LEU 114 -11.039 2.725 -5.712 679 H GLU 115 HN GLU 115 -6.947 5.667 -9.828 680 HA GLU 115 HA GLU 115 -8.323 4.118 -11.812 681 HB2 GLU 115 HB2 GLU 115 -6.816 6.731 -11.924 682 HB3 GLU 115 HB3 GLU 115 -7.576 6.008 -13.335 683 HG2 GLU 115 HG2 GLU 115 -9.740 6.215 -12.374 684 HG3 GLU 115 HG3 GLU 115 -9.068 6.678 -10.813 685 H LEU 116 HN LEU 116 -5.025 4.504 -10.818 686 HA LEU 116 HA LEU 116 -3.846 3.544 -13.267 687 HB2 LEU 116 HB2 LEU 116 -2.687 3.904 -10.503 688 HB3 LEU 116 HB3 LEU 116 -1.757 3.489 -11.926 689 HG LEU 116 HG LEU 116 -3.287 6.061 -11.536 690 HD11 LEU 116 HD11 LEU 116 -1.040 7.075 -11.398 691 HD12 LEU 116 HD12 LEU 116 -0.340 5.457 -11.384 692 HD13 LEU 116 HD13 LEU 116 -1.385 5.977 -10.062 693 HD21 LEU 116 HD21 LEU 116 -1.387 5.235 -13.728 694 HD22 LEU 116 HD22 LEU 116 -2.171 6.805 -13.562 695 HD23 LEU 116 HD23 LEU 116 -3.138 5.366 -13.885 696 H ALA 117 HN ALA 117 -4.842 2.187 -10.189 697 HA ALA 117 HA ALA 117 -3.891 -0.470 -11.054 698 HB1 ALA 117 HB1 ALA 117 -4.198 -1.084 -8.617 699 HB2 ALA 117 HB2 ALA 117 -4.403 0.640 -8.306 700 HB3 ALA 117 HB3 ALA 117 -2.890 0.038 -8.981 701 HA PRO 118 HA PRO 118 -7.871 -2.298 -11.538 702 HB2 PRO 118 HB2 PRO 118 -7.231 -4.099 -9.250 703 HB3 PRO 118 HB3 PRO 118 -7.797 -4.499 -10.875 704 HG2 PRO 118 HG2 PRO 118 -5.246 -4.848 -10.166 705 HG3 PRO 118 HG3 PRO 118 -5.692 -4.322 -11.798 706 HD2 PRO 118 HD2 PRO 118 -4.487 -2.769 -9.574 707 HD3 PRO 118 HD3 PRO 118 -4.325 -2.552 -11.324 708 H ASP 119 HN ASP 119 -9.913 -2.740 -10.483 709 HA ASP 119 HA ASP 119 -10.690 -0.735 -8.654 710 HB2 ASP 119 HB2 ASP 119 -12.143 -3.183 -9.619 711 HB3 ASP 119 HB3 ASP 119 -12.883 -1.889 -8.683 712 H PHE 120 HN PHE 120 -9.317 -3.805 -8.076 713 HA PHE 120 HA PHE 120 -10.457 -3.779 -5.388 714 HB2 PHE 120 HB2 PHE 120 -9.189 -6.144 -6.789 715 HB3 PHE 120 HB3 PHE 120 -9.925 -6.180 -5.191 716 HD1 PHE 120 HD1 PHE 120 -10.619 -5.721 -8.790 717 HD2 PHE 120 HD2 PHE 120 -12.256 -6.425 -4.924 718 HE1 PHE 120 HE1 PHE 120 -12.793 -6.248 -9.812 719 HE2 PHE 120 HE2 PHE 120 -14.433 -6.954 -5.940 720 HZ PHE 120 HZ PHE 120 -14.704 -6.866 -8.386 721 H VAL 121 HN VAL 121 -7.395 -4.796 -6.925 722 HA VAL 121 HA VAL 121 -5.835 -4.726 -4.597 723 HB VAL 121 HB VAL 121 -3.892 -4.812 -5.999 724 HG11 VAL 121 HG11 VAL 121 -5.247 -6.842 -5.903 725 HG12 VAL 121 HG12 VAL 121 -4.439 -6.686 -7.464 726 HG13 VAL 121 HG13 VAL 121 -6.154 -6.307 -7.319 727 HG21 VAL 121 HG21 VAL 121 -4.198 -3.090 -7.556 728 HG22 VAL 121 HG22 VAL 121 -5.715 -3.773 -8.139 729 HG23 VAL 121 HG23 VAL 121 -4.189 -4.574 -8.509 730 H GLY 122 HN GLY 122 -6.651 -2.156 -6.877 731 HA2 GLY 122 HA2 GLY 122 -4.762 -0.236 -6.265 732 HA3 GLY 122 HA1 GLY 122 -6.420 0.123 -6.718 733 H ASP 123 HN ASP 123 -7.637 -1.109 -4.409 734 HA ASP 123 HA ASP 123 -7.581 1.071 -2.615 735 HB2 ASP 123 HB2 ASP 123 -8.697 -1.710 -2.231 736 HB3 ASP 123 HB3 ASP 123 -9.030 -0.332 -1.186 737 H ILE 124 HN ILE 124 -6.282 -2.232 -2.346 738 HA ILE 124 HA ILE 124 -5.257 -2.074 0.239 739 HB ILE 124 HB ILE 124 -4.092 -3.621 -2.076 740 HG12 ILE 124 HG12 ILE 124 -6.126 -4.466 0.002 741 HG13 ILE 124 HG13 ILE 124 -6.481 -4.116 -1.687 742 HG21 ILE 124 HG21 ILE 124 -2.532 -3.474 -0.233 743 HG22 ILE 124 HG22 ILE 124 -3.192 -5.106 -0.327 744 HG23 ILE 124 HG23 ILE 124 -3.781 -3.985 0.901 745 HD11 ILE 124 HD11 ILE 124 -4.988 -5.962 -2.342 746 HD12 ILE 124 HD12 ILE 124 -6.362 -6.487 -1.366 747 HD13 ILE 124 HD13 ILE 124 -4.762 -6.345 -0.635 748 H LEU 125 HN LEU 125 -3.524 -1.553 -2.830 749 HA LEU 125 HA LEU 125 -1.063 -0.835 -1.772 750 HB2 LEU 125 HB2 LEU 125 -2.469 -0.223 -4.342 751 HB3 LEU 125 HB3 LEU 125 -1.005 0.665 -3.968 752 HG LEU 125 HG LEU 125 0.195 -1.503 -3.723 753 HD11 LEU 125 HD11 LEU 125 -2.376 -2.648 -4.801 754 HD12 LEU 125 HD12 LEU 125 -1.689 -2.938 -3.202 755 HD13 LEU 125 HD13 LEU 125 -0.852 -3.520 -4.640 756 HD21 LEU 125 HD21 LEU 125 -1.148 -1.063 -6.386 757 HD22 LEU 125 HD22 LEU 125 0.356 -1.941 -6.107 758 HD23 LEU 125 HD23 LEU 125 0.278 -0.207 -5.798 759 H TRP 126 HN TRP 126 -3.698 1.433 -2.734 760 HA TRP 126 HA TRP 126 -2.344 3.731 -1.755 761 HB2 TRP 126 HB2 TRP 126 -4.090 4.341 -3.170 762 HB3 TRP 126 HB3 TRP 126 -5.181 3.107 -2.549 763 HD1 TRP 126 HD1 TRP 126 -3.999 6.672 -1.863 764 HE1 TRP 126 HE1 TRP 126 -5.603 7.775 -0.183 765 HE3 TRP 126 HE3 TRP 126 -6.813 2.590 -0.641 766 HZ2 TRP 126 HZ2 TRP 126 -7.776 7.011 1.451 767 HZ3 TRP 126 HZ3 TRP 126 -8.634 2.858 0.990 768 HH2 TRP 126 HH2 TRP 126 -9.104 5.023 2.015 769 H GLU 127 HN GLU 127 -4.305 1.320 -0.102 770 HA GLU 127 HA GLU 127 -4.865 2.784 2.239 771 HB2 GLU 127 HB2 GLU 127 -5.725 0.459 1.551 772 HB3 GLU 127 HB3 GLU 127 -4.220 -0.174 2.197 773 HG2 GLU 127 HG2 GLU 127 -6.250 1.418 3.749 774 HG3 GLU 127 HG3 GLU 127 -6.074 -0.335 3.789 775 H HIS 128 HN HIS 128 -2.214 0.438 1.659 776 HA HIS 128 HA HIS 128 -0.768 1.165 3.998 777 HB2 HIS 128 HB2 HIS 128 -0.561 -1.047 2.922 778 HB3 HIS 128 HB3 HIS 128 0.177 -0.289 1.517 779 HD1 HIS 128 HD1 HIS 128 2.283 -1.785 1.911 780 HD2 HIS 128 HD2 HIS 128 1.474 0.909 4.968 781 HE1 HIS 128 HE1 HIS 128 4.369 -1.710 3.309 782 HE2 HIS 128 HE2 HIS 128 3.882 -0.022 5.115 783 H LEU 129 HN LEU 129 -0.631 2.161 0.620 784 HA LEU 129 HA LEU 129 1.801 3.570 0.674 785 HB2 LEU 129 HB2 LEU 129 0.547 2.960 -1.380 786 HB3 LEU 129 HB3 LEU 129 -0.656 4.169 -0.981 787 HG LEU 129 HG LEU 129 1.143 5.908 -1.135 788 HD11 LEU 129 HD11 LEU 129 3.205 5.317 -2.313 789 HD12 LEU 129 HD12 LEU 129 2.740 3.617 -2.270 790 HD13 LEU 129 HD13 LEU 129 3.072 4.479 -0.768 791 HD21 LEU 129 HD21 LEU 129 -0.423 5.502 -2.963 792 HD22 LEU 129 HD22 LEU 129 0.650 4.261 -3.611 793 HD23 LEU 129 HD23 LEU 129 1.172 5.946 -3.572 794 H GLU 130 HN GLU 130 -1.527 4.617 1.386 795 HA GLU 130 HA GLU 130 -0.860 7.320 1.805 796 HB2 GLU 130 HB2 GLU 130 -3.167 6.512 1.327 797 HB3 GLU 130 HB3 GLU 130 -3.216 5.819 2.942 798 HG2 GLU 130 HG2 GLU 130 -3.023 8.017 3.928 799 HG3 GLU 130 HG3 GLU 130 -2.857 8.744 2.330 800 H ILE 131 HN ILE 131 -0.921 4.492 3.854 801 HA ILE 131 HA ILE 131 -0.718 5.697 6.367 802 HB ILE 131 HB ILE 131 0.275 3.051 5.319 803 HG12 ILE 131 HG12 ILE 131 -1.890 3.715 7.322 804 HG13 ILE 131 HG13 ILE 131 -2.175 3.438 5.607 805 HG21 ILE 131 HG21 ILE 131 0.736 2.387 7.645 806 HG22 ILE 131 HG22 ILE 131 0.478 4.057 8.151 807 HG23 ILE 131 HG23 ILE 131 1.815 3.658 7.072 808 HD11 ILE 131 HD11 ILE 131 -0.996 1.429 7.511 809 HD12 ILE 131 HD12 ILE 131 -1.393 1.163 5.813 810 HD13 ILE 131 HD13 ILE 131 -2.677 1.474 6.981 811 H LEU 132 HN LEU 132 1.768 4.813 4.003 812 HA LEU 132 HA LEU 132 4.059 5.447 5.473 813 HB2 LEU 132 HB2 LEU 132 3.549 5.707 2.509 814 HB3 LEU 132 HB3 LEU 132 5.132 5.803 3.256 815 HG LEU 132 HG LEU 132 3.337 3.375 3.346 816 HD11 LEU 132 HD11 LEU 132 4.934 2.396 1.764 817 HD12 LEU 132 HD12 LEU 132 5.764 3.948 1.652 818 HD13 LEU 132 HD13 LEU 132 4.102 3.794 1.081 819 HD21 LEU 132 HD21 LEU 132 6.224 3.726 4.148 820 HD22 LEU 132 HD22 LEU 132 5.291 2.231 4.218 821 HD23 LEU 132 HD23 LEU 132 4.864 3.586 5.261 822 H GLN 133 HN GLN 133 1.897 7.484 3.567 823 HA GLN 133 HA GLN 133 3.421 9.857 3.659 824 HB2 GLN 133 HB2 GLN 133 0.422 9.582 3.426 825 HB3 GLN 133 HB3 GLN 133 1.381 10.979 2.962 826 HG2 GLN 133 HG2 GLN 133 2.422 9.746 1.187 827 HG3 GLN 133 HG3 GLN 133 1.638 8.256 1.709 828 HE21 GLN 133 HE21 GLN 133 0.604 7.918 -0.236 829 HE22 GLN 133 HE22 GLN 133 -0.707 8.901 -0.780 830 H LYS 134 HN LYS 134 0.590 8.839 5.580 831 HA LYS 134 HA LYS 134 0.580 11.038 7.325 832 HB2 LYS 134 HB2 LYS 134 -1.362 9.623 7.125 833 HB3 LYS 134 HB3 LYS 134 -0.460 8.219 7.674 834 HG2 LYS 134 HG2 LYS 134 -0.657 10.561 9.494 835 HG3 LYS 134 HG3 LYS 134 -2.082 9.546 9.271 836 HD2 LYS 134 HD2 LYS 134 0.642 8.539 10.096 837 HD3 LYS 134 HD3 LYS 134 -0.690 8.862 11.204 838 HE2 LYS 134 HE2 LYS 134 -2.051 7.185 10.058 839 HE3 LYS 134 HE3 LYS 134 -0.727 6.869 8.938 840 HZ1 LYS 134 HZ1 LYS 134 -0.658 6.422 11.875 841 HZ2 LYS 134 HZ2 LYS 134 0.623 6.130 10.809 842 HZ3 LYS 134 HZ3 LYS 134 -0.798 5.219 10.692 843 H GLU 135 HN GLU 135 2.076 7.829 7.656 844 HA GLU 135 HA GLU 135 3.101 8.182 10.250 845 HB2 GLU 135 HB2 GLU 135 2.919 5.989 9.131 846 HB3 GLU 135 HB3 GLU 135 4.191 6.461 8.014 847 HG2 GLU 135 HG2 GLU 135 5.078 5.019 9.729 848 HG3 GLU 135 HG3 GLU 135 5.760 6.636 9.887 849 H ASP 136 HN ASP 136 4.472 8.876 7.068 850 HA ASP 136 HA ASP 136 6.715 10.265 8.383 851 HB2 ASP 136 HB2 ASP 136 6.631 9.152 5.566 852 HB3 ASP 136 HB3 ASP 136 8.020 9.886 6.361 853 H VAL 137 HN VAL 137 5.175 12.062 8.621 854 HA VAL 137 HA VAL 137 3.925 13.395 6.521 855 HB VAL 137 HB VAL 137 5.070 14.624 9.036 856 HG11 VAL 137 HG11 VAL 137 4.592 16.344 7.419 857 HG12 VAL 137 HG12 VAL 137 3.347 16.369 8.669 858 HG13 VAL 137 HG13 VAL 137 3.002 15.650 7.095 859 HG21 VAL 137 HG21 VAL 137 3.535 12.842 9.579 860 HG22 VAL 137 HG22 VAL 137 2.342 13.478 8.447 861 HG23 VAL 137 HG23 VAL 137 2.757 14.393 9.896 862 H LYS 138 HN LYS 138 4.643 14.498 4.841 863 HA LYS 138 HA LYS 138 5.918 15.749 3.450 864 HB2 LYS 138 HB2 LYS 138 6.197 17.244 5.430 865 HB3 LYS 138 HB3 LYS 138 7.659 16.361 5.844 866 HG2 LYS 138 HG2 LYS 138 8.757 17.091 3.861 867 HG3 LYS 138 HG3 LYS 138 7.264 17.779 3.221 868 HD2 LYS 138 HD2 LYS 138 8.652 19.554 4.079 869 HD3 LYS 138 HD3 LYS 138 7.236 19.373 5.116 870 HE2 LYS 138 HE2 LYS 138 8.578 18.065 6.702 871 HE3 LYS 138 HE3 LYS 138 9.992 18.274 5.668 872 HZ1 LYS 138 HZ1 LYS 138 8.490 20.449 7.027 873 HZ2 LYS 138 HZ2 LYS 138 9.821 20.673 6.007 874 HZ3 LYS 138 HZ3 LYS 138 10.011 19.858 7.477 Start of MODEL 2 1 H HIS 28 H1 HIS 28 -7.934 -0.301 6.138 2 HA HIS 28 HA HIS 28 -6.920 -0.343 8.919 3 HB2 HIS 28 HB2 HIS 28 -5.730 -1.035 6.239 4 HB3 HIS 28 HB3 HIS 28 -4.708 -0.606 7.606 5 HD1 HIS 28 HD1 HIS 28 -7.483 -3.111 6.859 6 HD2 HIS 28 HD2 HIS 28 -3.999 -2.744 9.091 7 HE1 HIS 28 HE1 HIS 28 -7.135 -5.354 7.934 8 HE2 HIS 28 HE2 HIS 28 -4.963 -5.141 9.190 9 H MET 29 HN MET 29 -6.863 1.675 9.647 10 HA MET 29 HA MET 29 -6.233 3.838 9.896 11 HB2 MET 29 HB2 MET 29 -4.734 3.462 7.296 12 HB3 MET 29 HB3 MET 29 -4.580 4.843 8.370 13 HG2 MET 29 HG2 MET 29 -3.869 1.996 9.036 14 HG3 MET 29 HG3 MET 29 -2.736 3.291 8.655 15 HE1 MET 29 HE1 MET 29 -1.380 2.808 10.948 16 HE2 MET 29 HE2 MET 29 -2.503 1.473 11.204 17 HE3 MET 29 HE3 MET 29 -2.196 2.628 12.500 18 H GLU 30 HN GLU 30 -6.616 3.555 6.346 19 HA GLU 30 HA GLU 30 -8.308 5.904 6.326 20 HB2 GLU 30 HB2 GLU 30 -7.442 4.070 4.083 21 HB3 GLU 30 HB3 GLU 30 -8.331 5.572 3.873 22 HG2 GLU 30 HG2 GLU 30 -6.423 6.766 4.942 23 HG3 GLU 30 HG3 GLU 30 -5.534 5.244 4.928 24 H CYS 31 HN CYS 31 -10.442 5.963 5.450 25 HA CYS 31 HA CYS 31 -12.134 3.922 6.429 26 HB2 CYS 31 HB2 CYS 31 -12.852 6.264 6.264 27 HB3 CYS 31 HB3 CYS 31 -12.768 6.175 4.509 28 HG CYS 31 HG CYS 31 -15.357 5.744 6.281 29 H ALA 32 HN ALA 32 -11.811 1.950 5.545 30 HA ALA 32 HA ALA 32 -12.942 1.430 2.965 31 HB1 ALA 32 HB1 ALA 32 -9.987 0.933 3.326 32 HB2 ALA 32 HB2 ALA 32 -10.718 2.124 2.250 33 HB3 ALA 32 HB3 ALA 32 -10.960 0.402 1.955 34 H ASP 33 HN ASP 33 -10.728 0.046 5.401 35 HA ASP 33 HA ASP 33 -12.620 -2.053 6.001 36 HB2 ASP 33 HB2 ASP 33 -10.858 -3.852 5.599 37 HB3 ASP 33 HB3 ASP 33 -11.611 -3.163 4.165 38 H VAL 34 HN VAL 34 -11.796 -0.049 7.648 39 HA VAL 34 HA VAL 34 -9.514 -0.661 9.220 40 HB VAL 34 HB VAL 34 -11.935 0.978 9.999 41 HG11 VAL 34 HG11 VAL 34 -9.160 0.847 11.173 42 HG12 VAL 34 HG12 VAL 34 -10.663 0.349 11.949 43 HG13 VAL 34 HG13 VAL 34 -10.375 2.053 11.595 44 HG21 VAL 34 HG21 VAL 34 -10.899 1.848 7.978 45 HG22 VAL 34 HG22 VAL 34 -9.318 1.827 8.758 46 HG23 VAL 34 HG23 VAL 34 -10.573 2.918 9.342 47 HA PRO 35 HA PRO 35 -11.557 -3.948 11.518 48 HB2 PRO 35 HB2 PRO 35 -9.349 -5.180 12.361 49 HB3 PRO 35 HB3 PRO 35 -9.829 -5.244 10.661 50 HG2 PRO 35 HG2 PRO 35 -7.723 -3.584 11.976 51 HG3 PRO 35 HG3 PRO 35 -7.695 -4.387 10.397 52 HD2 PRO 35 HD2 PRO 35 -8.253 -1.691 10.838 53 HD3 PRO 35 HD3 PRO 35 -8.645 -2.598 9.365 54 H LEU 36 HN LEU 36 -11.933 -4.389 13.698 55 HA LEU 36 HA LEU 36 -11.379 -2.265 15.527 56 HB2 LEU 36 HB2 LEU 36 -12.442 -3.933 17.202 57 HB3 LEU 36 HB3 LEU 36 -13.435 -3.206 15.958 58 HG LEU 36 HG LEU 36 -13.348 -5.259 14.642 59 HD11 LEU 36 HD11 LEU 36 -12.402 -7.314 15.857 60 HD12 LEU 36 HD12 LEU 36 -11.469 -6.149 16.798 61 HD13 LEU 36 HD13 LEU 36 -11.273 -6.229 15.048 62 HD21 LEU 36 HD21 LEU 36 -14.095 -5.762 17.519 63 HD22 LEU 36 HD22 LEU 36 -14.650 -6.689 16.125 64 HD23 LEU 36 HD23 LEU 36 -15.116 -4.998 16.302 65 H LEU 37 HN LEU 37 -10.216 -2.379 17.514 66 HA LEU 37 HA LEU 37 -7.861 -4.089 17.310 67 HB2 LEU 37 HB2 LEU 37 -7.792 -1.560 17.727 68 HB3 LEU 37 HB3 LEU 37 -8.320 -1.929 19.357 69 HG LEU 37 HG LEU 37 -5.888 -1.587 19.216 70 HD11 LEU 37 HD11 LEU 37 -6.880 -3.107 20.911 71 HD12 LEU 37 HD12 LEU 37 -5.214 -3.500 20.485 72 HD13 LEU 37 HD13 LEU 37 -6.541 -4.462 19.833 73 HD21 LEU 37 HD21 LEU 37 -4.469 -3.182 18.063 74 HD22 LEU 37 HD22 LEU 37 -5.569 -2.405 16.925 75 HD23 LEU 37 HD23 LEU 37 -5.888 -4.050 17.476 76 H TPO 38 HN TPO 38 -8.658 -6.071 17.953 77 HA TPO 38 HA TPO 38 -8.472 -6.732 20.640 78 HB TPO 38 HB TPO 38 -10.621 -5.563 20.915 79 HG21 TPO 38 HG21 TPO 38 -12.218 -7.592 19.546 80 HG22 TPO 38 HG22 TPO 38 -11.339 -6.510 18.467 81 HG23 TPO 38 HG23 TPO 38 -12.451 -5.848 19.664 82 HA PRO 39 HA PRO 39 -7.672 -10.485 18.358 83 HB2 PRO 39 HB2 PRO 39 -7.907 -11.621 21.107 84 HB3 PRO 39 HB3 PRO 39 -6.632 -11.840 19.903 85 HG2 PRO 39 HG2 PRO 39 -6.248 -10.248 21.993 86 HG3 PRO 39 HG3 PRO 39 -5.643 -9.798 20.387 87 HD2 PRO 39 HD2 PRO 39 -8.022 -8.768 21.873 88 HD3 PRO 39 HD3 PRO 39 -6.888 -7.903 20.816 89 H SER 40 HN SER 40 -9.601 -10.722 17.257 90 HA SER 40 HA SER 40 -11.448 -12.669 18.356 91 HB2 SER 40 HB2 SER 40 -12.399 -9.947 17.418 92 HB3 SER 40 HB3 SER 40 -13.448 -11.304 17.821 93 HG SER 40 HG SER 40 -13.002 -11.056 19.915 94 H SEP 41 HN SEP 41 -13.363 -12.800 16.498 95 HA SEP 41 HA SEP 41 -12.107 -13.963 14.273 96 HB2 SEP 41 HB2 SEP 41 -14.595 -14.139 15.293 97 HB3 SEP 41 HB3 SEP 41 -14.914 -13.046 13.941 98 H LYS 42 HN LYS 42 -13.582 -10.782 14.726 99 HA LYS 42 HA LYS 42 -13.394 -9.938 12.033 100 HB2 LYS 42 HB2 LYS 42 -14.889 -8.855 13.634 101 HB3 LYS 42 HB3 LYS 42 -13.517 -8.329 14.594 102 HG2 LYS 42 HG2 LYS 42 -14.308 -6.467 13.348 103 HG3 LYS 42 HG3 LYS 42 -12.765 -6.964 12.653 104 HD2 LYS 42 HD2 LYS 42 -13.862 -8.039 10.818 105 HD3 LYS 42 HD3 LYS 42 -15.446 -7.814 11.565 106 HE2 LYS 42 HE2 LYS 42 -15.183 -5.384 11.362 107 HE3 LYS 42 HE3 LYS 42 -13.615 -5.622 10.597 108 HZ1 LYS 42 HZ1 LYS 42 -16.231 -6.537 9.528 109 HZ2 LYS 42 HZ2 LYS 42 -14.730 -6.812 8.798 110 HZ3 LYS 42 HZ3 LYS 42 -15.320 -5.235 8.949 111 H GLU 43 HN GLU 43 -11.088 -9.999 14.656 112 HA GLU 43 HA GLU 43 -9.239 -8.153 13.489 113 HB2 GLU 43 HB2 GLU 43 -9.393 -8.695 15.937 114 HB3 GLU 43 HB3 GLU 43 -8.684 -10.262 15.578 115 HG2 GLU 43 HG2 GLU 43 -6.918 -8.931 16.342 116 HG3 GLU 43 HG3 GLU 43 -6.725 -9.005 14.592 117 H MET 44 HN MET 44 -9.861 -11.557 13.091 118 HA MET 44 HA MET 44 -7.369 -12.487 12.264 119 HB2 MET 44 HB2 MET 44 -10.120 -13.324 11.340 120 HB3 MET 44 HB3 MET 44 -8.645 -14.211 10.987 121 HG2 MET 44 HG2 MET 44 -8.284 -14.444 13.442 122 HG3 MET 44 HG3 MET 44 -9.874 -13.722 13.687 123 HE1 MET 44 HE1 MET 44 -12.031 -14.681 12.506 124 HE2 MET 44 HE2 MET 44 -12.209 -16.344 11.945 125 HE3 MET 44 HE3 MET 44 -11.326 -15.171 10.966 126 H MET 45 HN MET 45 -9.892 -10.853 10.366 127 HA MET 45 HA MET 45 -8.677 -11.180 7.842 128 HB2 MET 45 HB2 MET 45 -10.236 -9.638 7.007 129 HB3 MET 45 HB3 MET 45 -11.063 -10.400 8.358 130 HG2 MET 45 HG2 MET 45 -10.565 -8.478 9.763 131 HG3 MET 45 HG3 MET 45 -9.696 -7.719 8.433 132 HE1 MET 45 HE1 MET 45 -11.840 -6.061 9.875 133 HE2 MET 45 HE2 MET 45 -12.793 -5.420 8.538 134 HE3 MET 45 HE3 MET 45 -11.037 -5.507 8.407 135 H SER 46 HN SER 46 -8.242 -8.781 10.375 136 HA SER 46 HA SER 46 -6.751 -6.884 8.949 137 HB2 SER 46 HB2 SER 46 -7.730 -6.501 11.195 138 HB3 SER 46 HB3 SER 46 -6.537 -7.598 11.884 139 HG SER 46 HG SER 46 -5.976 -5.339 12.013 140 H GLN 47 HN GLN 47 -5.816 -9.877 10.526 141 HA GLN 47 HA GLN 47 -3.110 -9.769 10.785 142 HB2 GLN 47 HB2 GLN 47 -4.479 -11.726 11.327 143 HB3 GLN 47 HB3 GLN 47 -4.676 -12.066 9.615 144 HG2 GLN 47 HG2 GLN 47 -2.999 -13.509 10.618 145 HG3 GLN 47 HG3 GLN 47 -2.289 -12.459 9.395 146 HE21 GLN 47 HE21 GLN 47 -0.224 -12.623 10.238 147 HE22 GLN 47 HE22 GLN 47 0.235 -11.879 11.727 148 H ALA 48 HN ALA 48 -4.763 -10.655 7.739 149 HA ALA 48 HA ALA 48 -2.542 -11.069 6.156 150 HB1 ALA 48 HB1 ALA 48 -5.191 -9.906 5.316 151 HB2 ALA 48 HB2 ALA 48 -4.787 -11.619 5.428 152 HB3 ALA 48 HB3 ALA 48 -3.986 -10.600 4.231 153 H LEU 49 HN LEU 49 -4.179 -7.966 6.776 154 HA LEU 49 HA LEU 49 -2.332 -6.544 5.065 155 HB2 LEU 49 HB2 LEU 49 -4.587 -5.650 6.845 156 HB3 LEU 49 HB3 LEU 49 -3.553 -4.515 5.999 157 HG LEU 49 HG LEU 49 -4.241 -5.710 3.852 158 HD11 LEU 49 HD11 LEU 49 -5.135 -7.741 4.768 159 HD12 LEU 49 HD12 LEU 49 -6.436 -6.859 3.969 160 HD13 LEU 49 HD13 LEU 49 -6.308 -6.842 5.729 161 HD21 LEU 49 HD21 LEU 49 -6.224 -4.394 3.620 162 HD22 LEU 49 HD22 LEU 49 -5.079 -3.493 4.614 163 HD23 LEU 49 HD23 LEU 49 -6.441 -4.322 5.368 164 H LYS 50 HN LYS 50 -2.763 -7.046 8.531 165 HA LYS 50 HA LYS 50 -0.962 -5.063 9.412 166 HB2 LYS 50 HB2 LYS 50 -2.621 -7.021 10.596 167 HB3 LYS 50 HB3 LYS 50 -0.998 -7.282 11.217 168 HG2 LYS 50 HG2 LYS 50 -2.136 -5.812 12.702 169 HG3 LYS 50 HG3 LYS 50 -0.915 -4.878 11.836 170 HD2 LYS 50 HD2 LYS 50 -2.597 -3.978 10.352 171 HD3 LYS 50 HD3 LYS 50 -3.833 -4.996 11.090 172 HE2 LYS 50 HE2 LYS 50 -3.463 -3.832 13.238 173 HE3 LYS 50 HE3 LYS 50 -2.298 -2.778 12.440 174 HZ1 LYS 50 HZ1 LYS 50 -4.501 -1.764 12.637 175 HZ2 LYS 50 HZ2 LYS 50 -5.167 -3.006 11.700 176 HZ3 LYS 50 HZ3 LYS 50 -4.040 -1.944 11.020 177 H ALA 51 HN ALA 51 -0.528 -8.544 8.833 178 HA ALA 51 HA ALA 51 2.152 -8.707 9.626 179 HB1 ALA 51 HB1 ALA 51 0.699 -10.664 9.247 180 HB2 ALA 51 HB2 ALA 51 2.239 -10.796 8.397 181 HB3 ALA 51 HB3 ALA 51 0.776 -10.367 7.510 182 H THR 52 HN THR 52 0.714 -7.946 6.474 183 HA THR 52 HA THR 52 2.931 -7.965 4.846 184 HB THR 52 HB THR 52 0.665 -5.961 4.767 185 HG1 THR 52 HG1 THR 52 -0.324 -7.836 4.398 186 HG21 THR 52 HG21 THR 52 1.236 -5.874 2.325 187 HG22 THR 52 HG22 THR 52 2.718 -6.751 2.702 188 HG23 THR 52 HG23 THR 52 2.441 -5.150 3.387 189 H PHE 53 HN PHE 53 1.778 -5.220 6.833 190 HA PHE 53 HA PHE 53 3.598 -3.299 6.235 191 HB2 PHE 53 HB2 PHE 53 2.632 -3.994 9.018 192 HB3 PHE 53 HB3 PHE 53 3.360 -2.461 8.549 193 HD1 PHE 53 HD2 PHE 53 2.088 -1.770 6.069 194 HD2 PHE 53 HD1 PHE 53 0.416 -3.638 9.509 195 HE1 PHE 53 HE2 PHE 53 -0.133 -0.907 5.454 196 HE2 PHE 53 HE1 PHE 53 -1.809 -2.781 8.897 197 HZ PHE 53 HZ PHE 53 -2.085 -1.413 6.869 198 H SER 54 HN SER 54 4.129 -5.798 8.754 199 HA SER 54 HA SER 54 6.796 -5.084 9.318 200 HB2 SER 54 HB2 SER 54 5.421 -7.770 9.619 201 HB3 SER 54 HB3 SER 54 6.964 -7.332 10.352 202 HG SER 54 HG SER 54 5.267 -7.029 11.821 203 H GLY 55 HN GLY 55 5.400 -7.102 6.803 204 HA2 GLY 55 HA2 GLY 55 7.882 -8.298 5.998 205 HA3 GLY 55 HA1 GLY 55 6.368 -8.334 5.110 206 H PHE 56 HN PHE 56 6.905 -5.165 5.796 207 HA PHE 56 HA PHE 56 7.987 -4.673 3.123 208 HB2 PHE 56 HB2 PHE 56 5.865 -3.537 3.848 209 HB3 PHE 56 HB3 PHE 56 6.805 -2.660 5.049 210 HD1 PHE 56 HD1 PHE 56 7.458 -3.482 1.469 211 HD2 PHE 56 HD2 PHE 56 6.946 -0.451 4.414 212 HE1 PHE 56 HE1 PHE 56 7.993 -1.766 -0.209 213 HE2 PHE 56 HE2 PHE 56 7.479 1.270 2.738 214 HZ PHE 56 HZ PHE 56 8.002 0.611 0.424 215 H THR 57 HN THR 57 8.526 -3.745 6.511 216 HA THR 57 HA THR 57 10.771 -2.131 6.125 217 HB THR 57 HB THR 57 10.118 -3.877 8.509 218 HG1 THR 57 HG1 THR 57 8.541 -2.441 8.591 219 HG21 THR 57 HG21 THR 57 11.539 -2.298 9.773 220 HG22 THR 57 HG22 THR 57 12.007 -1.534 8.253 221 HG23 THR 57 HG23 THR 57 12.449 -3.212 8.570 222 H LYS 58 HN LYS 58 10.514 -5.636 6.424 223 HA LYS 58 HA LYS 58 13.273 -6.172 6.606 224 HB2 LYS 58 HB2 LYS 58 12.624 -8.440 5.641 225 HB3 LYS 58 HB3 LYS 58 11.859 -7.973 7.153 226 HG2 LYS 58 HG2 LYS 58 9.819 -7.430 6.028 227 HG3 LYS 58 HG3 LYS 58 10.576 -7.651 4.451 228 HD2 LYS 58 HD2 LYS 58 9.180 -9.572 5.100 229 HD3 LYS 58 HD3 LYS 58 10.873 -10.012 4.885 230 HE2 LYS 58 HE2 LYS 58 9.985 -11.096 6.858 231 HE3 LYS 58 HE3 LYS 58 11.190 -9.899 7.326 232 HZ1 LYS 58 HZ1 LYS 58 9.261 -9.801 8.763 233 HZ2 LYS 58 HZ2 LYS 58 8.245 -9.532 7.439 234 HZ3 LYS 58 HZ3 LYS 58 9.391 -8.368 7.872 235 H GLU 59 HN GLU 59 11.182 -5.459 3.906 236 HA GLU 59 HA GLU 59 13.150 -6.156 1.906 237 HB2 GLU 59 HB2 GLU 59 10.798 -6.360 1.336 238 HB3 GLU 59 HB3 GLU 59 10.513 -4.672 1.737 239 HG2 GLU 59 HG2 GLU 59 11.992 -4.003 -0.104 240 HG3 GLU 59 HG3 GLU 59 12.213 -5.699 -0.522 241 H GLN 60 HN GLN 60 11.886 -3.222 3.441 242 HA GLN 60 HA GLN 60 13.154 -1.286 1.919 243 HB2 GLN 60 HB2 GLN 60 12.471 -1.285 4.858 244 HB3 GLN 60 HB3 GLN 60 12.982 0.144 3.971 245 HG2 GLN 60 HG2 GLN 60 11.040 -0.054 2.515 246 HG3 GLN 60 HG3 GLN 60 10.535 -1.502 3.378 247 HE21 GLN 60 HE21 GLN 60 10.806 1.958 3.491 248 HE22 GLN 60 HE22 GLN 60 9.824 2.190 4.892 249 H GLN 61 HN GLN 61 14.491 -3.373 4.384 250 HA GLN 61 HA GLN 61 16.972 -1.848 4.506 251 HB2 GLN 61 HB2 GLN 61 17.659 -3.367 6.215 252 HB3 GLN 61 HB3 GLN 61 15.974 -2.972 6.521 253 HG2 GLN 61 HG2 GLN 61 15.319 -5.095 5.456 254 HG3 GLN 61 HG3 GLN 61 17.023 -5.495 5.262 255 HE21 GLN 61 HE21 GLN 61 14.985 -6.930 6.717 256 HE22 GLN 61 HE22 GLN 61 15.513 -7.013 8.361 257 H ARG 62 HN ARG 62 15.780 -4.878 3.154 258 HA ARG 62 HA ARG 62 18.280 -5.893 2.298 259 HB2 ARG 62 HB2 ARG 62 16.278 -7.295 2.538 260 HB3 ARG 62 HB3 ARG 62 15.501 -6.420 1.225 261 HG2 ARG 62 HG2 ARG 62 17.206 -7.233 -0.325 262 HG3 ARG 62 HG3 ARG 62 17.978 -8.117 0.994 263 HD2 ARG 62 HD2 ARG 62 16.008 -9.484 1.283 264 HD3 ARG 62 HD3 ARG 62 15.136 -8.541 0.077 265 HE ARG 62 HE ARG 62 17.455 -9.586 -1.103 266 HH11 ARG 62 HH11 ARG 62 14.385 -10.694 0.167 267 HH12 ARG 62 HH12 ARG 62 14.305 -12.067 -0.884 268 HH21 ARG 62 HH21 ARG 62 17.344 -11.398 -2.485 269 HH22 ARG 62 HH22 ARG 62 15.985 -12.467 -2.390 270 H LEU 63 HN LEU 63 15.852 -3.844 0.736 271 HA LEU 63 HA LEU 63 17.488 -3.638 -1.699 272 HB2 LEU 63 HB2 LEU 63 14.744 -2.507 -1.175 273 HB3 LEU 63 HB3 LEU 63 15.552 -2.669 -2.722 274 HG LEU 63 HG LEU 63 14.548 -4.939 -1.001 275 HD11 LEU 63 HD11 LEU 63 13.575 -3.836 -3.632 276 HD12 LEU 63 HD12 LEU 63 12.751 -3.725 -2.077 277 HD13 LEU 63 HD13 LEU 63 12.971 -5.295 -2.847 278 HD21 LEU 63 HD21 LEU 63 16.584 -5.554 -2.204 279 HD22 LEU 63 HD22 LEU 63 15.862 -4.998 -3.716 280 HD23 LEU 63 HD23 LEU 63 15.173 -6.381 -2.865 281 H GLY 64 HN GLY 64 16.400 -1.741 1.056 282 HA2 GLY 64 HA2 GLY 64 17.655 0.166 1.775 283 HA3 GLY 64 HA1 GLY 64 18.095 0.467 0.102 284 H ILE 65 HN ILE 65 14.914 -0.300 -0.007 285 HA ILE 65 HA ILE 65 13.963 2.178 -0.758 286 HB ILE 65 HB ILE 65 12.344 -0.030 0.526 287 HG12 ILE 65 HG12 ILE 65 12.715 0.461 -2.427 288 HG13 ILE 65 HG13 ILE 65 13.786 -0.603 -1.523 289 HG21 ILE 65 HG21 ILE 65 11.102 2.044 0.448 290 HG22 ILE 65 HG22 ILE 65 10.465 0.923 -0.756 291 HG23 ILE 65 HG23 ILE 65 11.507 2.255 -1.256 292 HD11 ILE 65 HD11 ILE 65 11.840 -1.970 -0.890 293 HD12 ILE 65 HD12 ILE 65 12.091 -1.891 -2.634 294 HD13 ILE 65 HD13 ILE 65 10.817 -0.929 -1.881 295 HA PRO 66 HA PRO 66 13.836 4.278 3.192 296 HB2 PRO 66 HB2 PRO 66 12.791 6.615 2.306 297 HB3 PRO 66 HB3 PRO 66 14.479 6.163 2.049 298 HG2 PRO 66 HG2 PRO 66 12.163 5.981 0.168 299 HG3 PRO 66 HG3 PRO 66 13.821 6.522 -0.148 300 HD2 PRO 66 HD2 PRO 66 12.927 4.039 -0.794 301 HD3 PRO 66 HD3 PRO 66 14.615 4.375 -0.360 302 H LYS 67 HN LYS 67 12.178 5.429 4.524 303 HA LYS 67 HA LYS 67 9.580 4.121 4.193 304 HB2 LYS 67 HB2 LYS 67 9.209 4.679 6.555 305 HB3 LYS 67 HB3 LYS 67 10.703 3.781 6.331 306 HG2 LYS 67 HG2 LYS 67 11.997 5.820 6.543 307 HG3 LYS 67 HG3 LYS 67 10.516 6.771 6.675 308 HD2 LYS 67 HD2 LYS 67 11.359 4.605 8.600 309 HD3 LYS 67 HD3 LYS 67 11.592 6.334 8.862 310 HE2 LYS 67 HE2 LYS 67 9.167 6.672 8.753 311 HE3 LYS 67 HE3 LYS 67 8.938 4.943 8.497 312 HZ1 LYS 67 HZ1 LYS 67 8.575 5.571 10.805 313 HZ2 LYS 67 HZ2 LYS 67 10.151 6.175 10.912 314 HZ3 LYS 67 HZ3 LYS 67 9.894 4.521 10.667 315 H ASP 68 HN ASP 68 10.074 6.287 2.467 316 HA ASP 68 HA ASP 68 7.948 8.091 3.327 317 HB2 ASP 68 HB2 ASP 68 10.330 9.027 3.822 318 HB3 ASP 68 HB3 ASP 68 10.399 9.295 2.084 319 HA PRO 69 HA PRO 69 6.881 6.999 -0.917 320 HB2 PRO 69 HB2 PRO 69 4.487 8.320 -0.898 321 HB3 PRO 69 HB3 PRO 69 4.721 6.707 -0.216 322 HG2 PRO 69 HG2 PRO 69 4.635 9.354 1.169 323 HG3 PRO 69 HG3 PRO 69 3.915 7.811 1.656 324 HD2 PRO 69 HD2 PRO 69 6.204 8.735 2.739 325 HD3 PRO 69 HD3 PRO 69 5.904 7.004 2.498 326 H ARG 70 HN ARG 70 7.058 10.233 0.476 327 HA ARG 70 HA ARG 70 6.808 11.568 -2.065 328 HB2 ARG 70 HB2 ARG 70 7.697 12.559 0.652 329 HB3 ARG 70 HB3 ARG 70 7.583 13.586 -0.767 330 HG2 ARG 70 HG2 ARG 70 5.591 13.989 0.331 331 HG3 ARG 70 HG3 ARG 70 5.134 12.791 -0.880 332 HD2 ARG 70 HD2 ARG 70 5.262 11.028 0.785 333 HD3 ARG 70 HD3 ARG 70 5.805 12.183 2.000 334 HE ARG 70 HE ARG 70 3.107 11.835 0.989 335 HH11 ARG 70 HH11 ARG 70 5.299 13.832 2.856 336 HH12 ARG 70 HH12 ARG 70 4.028 14.636 3.712 337 HH21 ARG 70 HH21 ARG 70 1.441 12.902 2.121 338 HH22 ARG 70 HH22 ARG 70 1.841 14.108 3.299 339 H GLN 71 HN GLN 71 9.411 10.337 -0.074 340 HA GLN 71 HA GLN 71 11.421 11.460 -1.878 341 HB2 GLN 71 HB2 GLN 71 12.207 9.716 0.397 342 HB3 GLN 71 HB3 GLN 71 12.996 11.152 -0.233 343 HG2 GLN 71 HG2 GLN 71 10.583 11.030 1.550 344 HG3 GLN 71 HG3 GLN 71 12.191 11.613 1.963 345 HE21 GLN 71 HE21 GLN 71 9.552 12.915 2.078 346 HE22 GLN 71 HE22 GLN 71 9.709 14.361 1.150 347 H TRP 72 HN TRP 72 9.636 9.461 -2.870 348 HA TRP 72 HA TRP 72 11.412 7.126 -3.191 349 HB2 TRP 72 HB2 TRP 72 8.463 7.519 -3.172 350 HB3 TRP 72 HB3 TRP 72 9.074 6.361 -4.341 351 HD1 TRP 72 HD1 TRP 72 11.106 6.412 -1.203 352 HE1 TRP 72 HE1 TRP 72 10.534 4.354 0.233 353 HE3 TRP 72 HE3 TRP 72 6.951 4.818 -3.705 354 HZ2 TRP 72 HZ2 TRP 72 8.573 2.324 0.294 355 HZ3 TRP 72 HZ3 TRP 72 5.782 2.811 -2.896 356 HH2 TRP 72 HH2 TRP 72 6.579 1.592 -0.940 357 H THR 73 HN THR 73 11.196 6.098 -5.450 358 HA THR 73 HA THR 73 10.785 8.069 -7.527 359 HB THR 73 HB THR 73 13.215 7.983 -7.081 360 HG1 THR 73 HG1 THR 73 12.770 8.484 -9.178 361 HG21 THR 73 HG21 THR 73 14.444 5.924 -7.742 362 HG22 THR 73 HG22 THR 73 12.896 5.089 -7.877 363 HG23 THR 73 HG23 THR 73 13.430 5.707 -6.315 364 H GLU 74 HN GLU 74 11.190 6.717 -9.803 365 HA GLU 74 HA GLU 74 8.935 5.168 -10.140 366 HB2 GLU 74 HB2 GLU 74 11.518 5.003 -11.703 367 HB3 GLU 74 HB3 GLU 74 9.970 4.361 -12.234 368 HG2 GLU 74 HG2 GLU 74 9.043 6.644 -12.185 369 HG3 GLU 74 HG3 GLU 74 10.636 7.255 -11.744 370 H THR 75 HN THR 75 12.222 4.048 -9.386 371 HA THR 75 HA THR 75 11.679 1.299 -9.560 372 HB THR 75 HB THR 75 13.747 2.582 -7.765 373 HG1 THR 75 HG1 THR 75 14.830 3.049 -9.526 374 HG21 THR 75 HG21 THR 75 14.984 0.484 -8.168 375 HG22 THR 75 HG22 THR 75 13.607 -0.133 -9.082 376 HG23 THR 75 HG23 THR 75 13.442 0.202 -7.359 377 H HIS 76 HN HIS 76 11.811 3.432 -6.690 378 HA HIS 76 HA HIS 76 11.115 1.485 -4.795 379 HB2 HIS 76 HB2 HIS 76 10.658 4.471 -4.734 380 HB3 HIS 76 HB3 HIS 76 10.424 3.408 -3.353 381 HD1 HIS 76 HD1 HIS 76 12.631 5.797 -3.910 382 HD2 HIS 76 HD2 HIS 76 13.238 1.697 -3.662 383 HE1 HIS 76 HE1 HIS 76 15.049 5.514 -3.289 384 HE2 HIS 76 HE2 HIS 76 15.363 3.028 -3.035 385 H VAL 77 HN VAL 77 9.085 3.670 -6.696 386 HA VAL 77 HA VAL 77 6.595 3.118 -5.509 387 HB VAL 77 HB VAL 77 7.314 3.952 -8.329 388 HG11 VAL 77 HG11 VAL 77 4.585 3.755 -7.052 389 HG12 VAL 77 HG12 VAL 77 5.171 2.818 -8.427 390 HG13 VAL 77 HG13 VAL 77 4.932 4.558 -8.583 391 HG21 VAL 77 HG21 VAL 77 7.857 5.578 -6.623 392 HG22 VAL 77 HG22 VAL 77 6.240 5.439 -5.933 393 HG23 VAL 77 HG23 VAL 77 6.456 6.134 -7.540 394 H ARG 78 HN ARG 78 8.112 1.712 -8.436 395 HA ARG 78 HA ARG 78 6.063 -0.218 -8.900 396 HB2 ARG 78 HB2 ARG 78 7.507 0.590 -10.697 397 HB3 ARG 78 HB3 ARG 78 8.921 -0.077 -9.895 398 HG2 ARG 78 HG2 ARG 78 8.073 -2.327 -10.213 399 HG3 ARG 78 HG3 ARG 78 6.606 -1.685 -10.954 400 HD2 ARG 78 HD2 ARG 78 9.373 -1.171 -12.018 401 HD3 ARG 78 HD3 ARG 78 8.357 -2.507 -12.559 402 HE ARG 78 HE ARG 78 6.992 -0.017 -12.754 403 HH11 ARG 78 HH11 ARG 78 9.406 -1.989 -14.352 404 HH12 ARG 78 HH12 ARG 78 9.103 -1.307 -15.914 405 HH21 ARG 78 HH21 ARG 78 6.603 0.878 -14.812 406 HH22 ARG 78 HH22 ARG 78 7.515 0.320 -16.175 407 H ASP 79 HN ASP 79 9.320 -0.486 -7.419 408 HA ASP 79 HA ASP 79 9.264 -3.236 -7.017 409 HB2 ASP 79 HB2 ASP 79 11.269 -1.797 -6.650 410 HB3 ASP 79 HB3 ASP 79 10.539 -1.192 -5.166 411 H TRP 80 HN TRP 80 7.979 -0.617 -5.000 412 HA TRP 80 HA TRP 80 7.172 -2.260 -2.856 413 HB2 TRP 80 HB2 TRP 80 7.212 0.019 -2.296 414 HB3 TRP 80 HB3 TRP 80 6.353 0.491 -3.759 415 HD1 TRP 80 HD1 TRP 80 5.598 -1.378 -0.437 416 HE1 TRP 80 HE1 TRP 80 3.152 -0.896 0.199 417 HE3 TRP 80 HE3 TRP 80 4.230 1.382 -4.513 418 HZ2 TRP 80 HZ2 TRP 80 0.931 0.473 -0.888 419 HZ3 TRP 80 HZ3 TRP 80 1.929 2.242 -4.640 420 HH2 TRP 80 HH2 TRP 80 0.316 1.795 -2.865 421 H VAL 81 HN VAL 81 5.106 -0.719 -5.343 422 HA VAL 81 HA VAL 81 2.765 -1.999 -5.075 423 HB VAL 81 HB VAL 81 4.207 -1.446 -7.674 424 HG11 VAL 81 HG11 VAL 81 2.567 -3.150 -8.140 425 HG12 VAL 81 HG12 VAL 81 1.982 -1.603 -8.752 426 HG13 VAL 81 HG13 VAL 81 1.334 -2.259 -7.248 427 HG21 VAL 81 HG21 VAL 81 3.687 0.505 -6.286 428 HG22 VAL 81 HG22 VAL 81 1.989 0.031 -6.263 429 HG23 VAL 81 HG23 VAL 81 2.755 0.498 -7.782 430 H MET 82 HN MET 82 5.472 -3.339 -6.976 431 HA MET 82 HA MET 82 4.331 -5.806 -7.611 432 HB2 MET 82 HB2 MET 82 6.475 -4.732 -8.506 433 HB3 MET 82 HB3 MET 82 7.270 -5.384 -7.081 434 HG2 MET 82 HG2 MET 82 6.777 -7.624 -7.753 435 HG3 MET 82 HG3 MET 82 5.773 -7.054 -9.084 436 HE1 MET 82 HE1 MET 82 6.781 -5.642 -11.165 437 HE2 MET 82 HE2 MET 82 8.502 -5.307 -11.355 438 HE3 MET 82 HE3 MET 82 7.596 -4.550 -10.046 439 H TRP 83 HN TRP 83 6.442 -4.912 -4.891 440 HA TRP 83 HA TRP 83 6.609 -7.395 -3.646 441 HB2 TRP 83 HB2 TRP 83 8.086 -5.780 -2.843 442 HB3 TRP 83 HB3 TRP 83 6.834 -4.562 -2.673 443 HD1 TRP 83 HD1 TRP 83 8.432 -7.493 -0.832 444 HE1 TRP 83 HE1 TRP 83 7.654 -7.448 1.619 445 HE3 TRP 83 HE3 TRP 83 4.869 -3.846 -1.181 446 HZ2 TRP 83 HZ2 TRP 83 5.765 -6.053 3.194 447 HZ3 TRP 83 HZ3 TRP 83 3.621 -3.214 0.842 448 HH2 TRP 83 HH2 TRP 83 4.063 -4.297 2.983 449 H ALA 84 HN ALA 84 4.111 -4.902 -3.420 450 HA ALA 84 HA ALA 84 2.658 -6.078 -1.279 451 HB1 ALA 84 HB1 ALA 84 2.431 -3.702 -2.062 452 HB2 ALA 84 HB2 ALA 84 0.903 -4.547 -1.820 453 HB3 ALA 84 HB3 ALA 84 1.530 -4.310 -3.451 454 H VAL 85 HN VAL 85 2.360 -6.227 -4.802 455 HA VAL 85 HA VAL 85 0.147 -7.848 -5.087 456 HB VAL 85 HB VAL 85 2.670 -7.868 -6.753 457 HG11 VAL 85 HG11 VAL 85 1.233 -8.818 -8.536 458 HG12 VAL 85 HG12 VAL 85 -0.048 -9.030 -7.342 459 HG13 VAL 85 HG13 VAL 85 1.471 -9.910 -7.172 460 HG21 VAL 85 HG21 VAL 85 1.493 -5.699 -6.604 461 HG22 VAL 85 HG22 VAL 85 0.039 -6.476 -7.225 462 HG23 VAL 85 HG23 VAL 85 1.484 -6.376 -8.231 463 H ASN 86 HN ASN 86 3.441 -8.742 -4.218 464 HA ASN 86 HA ASN 86 2.958 -11.576 -4.352 465 HB2 ASN 86 HB2 ASN 86 5.196 -10.680 -4.773 466 HB3 ASN 86 HB3 ASN 86 5.251 -10.007 -3.147 467 HD21 ASN 86 HD21 ASN 86 5.602 -11.360 -1.399 468 HD22 ASN 86 HD22 ASN 86 6.143 -12.991 -1.585 469 H GLU 87 HN GLU 87 2.997 -9.097 -1.837 470 HA GLU 87 HA GLU 87 2.885 -10.856 0.384 471 HB2 GLU 87 HB2 GLU 87 2.019 -7.972 0.117 472 HB3 GLU 87 HB3 GLU 87 2.134 -8.840 1.641 473 HG2 GLU 87 HG2 GLU 87 4.490 -8.555 -0.187 474 HG3 GLU 87 HG3 GLU 87 4.062 -7.308 0.981 475 H PHE 88 HN PHE 88 0.403 -9.273 -1.575 476 HA PHE 88 HA PHE 88 -1.684 -10.655 -0.030 477 HB2 PHE 88 HB2 PHE 88 -1.847 -8.251 -1.845 478 HB3 PHE 88 HB3 PHE 88 -3.247 -9.039 -1.129 479 HD1 PHE 88 HD2 PHE 88 -3.558 -8.992 1.329 480 HD2 PHE 88 HD1 PHE 88 -0.513 -6.742 -0.611 481 HE1 PHE 88 HE2 PHE 88 -3.339 -7.575 3.326 482 HE2 PHE 88 HE1 PHE 88 -0.290 -5.318 1.382 483 HZ PHE 88 HZ PHE 88 -1.705 -5.733 3.353 484 H SER 89 HN SER 89 0.093 -11.416 -2.588 485 HA SER 89 HA SER 89 -0.187 -12.454 -4.606 486 HB2 SER 89 HB2 SER 89 -0.838 -14.194 -2.928 487 HB3 SER 89 HB3 SER 89 -2.522 -13.721 -3.149 488 HG SER 89 HG SER 89 -2.572 -14.766 -4.980 489 H LEU 90 HN LEU 90 -1.127 -9.997 -4.924 490 HA LEU 90 HA LEU 90 -3.862 -9.944 -5.751 491 HB2 LEU 90 HB2 LEU 90 -1.697 -7.898 -6.219 492 HB3 LEU 90 HB3 LEU 90 -3.418 -7.635 -6.416 493 HG LEU 90 HG LEU 90 -1.987 -8.179 -3.814 494 HD11 LEU 90 HD11 LEU 90 -3.393 -5.701 -4.792 495 HD12 LEU 90 HD12 LEU 90 -1.645 -5.925 -4.755 496 HD13 LEU 90 HD13 LEU 90 -2.564 -5.906 -3.249 497 HD21 LEU 90 HD21 LEU 90 -4.246 -9.181 -3.906 498 HD22 LEU 90 HD22 LEU 90 -4.906 -7.590 -4.287 499 HD23 LEU 90 HD23 LEU 90 -4.118 -7.871 -2.734 500 H LYS 91 HN LYS 91 -4.230 -8.772 -8.018 501 HA LYS 91 HA LYS 91 -2.489 -9.603 -10.134 502 HB2 LYS 91 HB2 LYS 91 -4.086 -11.117 -11.252 503 HB3 LYS 91 HB3 LYS 91 -3.520 -11.756 -9.717 504 HG2 LYS 91 HG2 LYS 91 -6.126 -10.286 -9.957 505 HG3 LYS 91 HG3 LYS 91 -5.991 -12.017 -10.267 506 HD2 LYS 91 HD2 LYS 91 -4.995 -12.265 -7.984 507 HD3 LYS 91 HD3 LYS 91 -5.370 -10.565 -7.698 508 HE2 LYS 91 HE2 LYS 91 -7.745 -11.031 -8.093 509 HE3 LYS 91 HE3 LYS 91 -7.362 -12.732 -8.356 510 HZ1 LYS 91 HZ1 LYS 91 -6.905 -11.233 -5.832 511 HZ2 LYS 91 HZ2 LYS 91 -6.557 -12.868 -6.085 512 HZ3 LYS 91 HZ3 LYS 91 -8.161 -12.332 -6.111 513 H GLY 92 HN GLY 92 -3.112 -8.820 -12.194 514 HA2 GLY 92 HA2 GLY 92 -4.407 -7.566 -13.695 515 HA3 GLY 92 HA1 GLY 92 -5.526 -7.202 -12.394 516 H VAL 93 HN VAL 93 -2.742 -6.452 -10.946 517 HA VAL 93 HA VAL 93 -3.079 -3.648 -11.409 518 HB VAL 93 HB VAL 93 -2.489 -4.515 -9.177 519 HG11 VAL 93 HG11 VAL 93 -0.991 -6.313 -9.835 520 HG12 VAL 93 HG12 VAL 93 -0.200 -5.220 -8.701 521 HG13 VAL 93 HG13 VAL 93 0.187 -5.136 -10.418 522 HG21 VAL 93 HG21 VAL 93 -0.429 -2.644 -10.343 523 HG22 VAL 93 HG22 VAL 93 -0.812 -2.825 -8.630 524 HG23 VAL 93 HG23 VAL 93 -2.022 -2.186 -9.741 525 H ASP 94 HN ASP 94 -1.965 -2.315 -12.685 526 HA ASP 94 HA ASP 94 0.101 -3.494 -14.390 527 HB2 ASP 94 HB2 ASP 94 -1.509 -0.952 -14.679 528 HB3 ASP 94 HB3 ASP 94 -0.296 -1.504 -15.825 529 H PHE 95 HN PHE 95 2.166 -2.842 -14.389 530 HA PHE 95 HA PHE 95 3.006 -0.941 -12.337 531 HB2 PHE 95 HB2 PHE 95 4.649 -2.680 -14.210 532 HB3 PHE 95 HB3 PHE 95 5.296 -1.694 -12.902 533 HD1 PHE 95 HD2 PHE 95 4.631 -2.239 -10.534 534 HD2 PHE 95 HD1 PHE 95 3.833 -4.841 -13.806 535 HE1 PHE 95 HE2 PHE 95 4.317 -4.107 -8.969 536 HE2 PHE 95 HE1 PHE 95 3.516 -6.714 -12.243 537 HZ PHE 95 HZ PHE 95 3.760 -6.348 -9.820 538 H GLN 96 HN GLN 96 2.570 -1.071 -15.780 539 HA GLN 96 HA GLN 96 4.262 1.055 -16.547 540 HB2 GLN 96 HB2 GLN 96 2.862 1.210 -18.550 541 HB3 GLN 96 HB3 GLN 96 3.251 -0.464 -18.182 542 HG2 GLN 96 HG2 GLN 96 1.020 -0.711 -17.144 543 HG3 GLN 96 HG3 GLN 96 0.642 0.936 -17.646 544 HE21 GLN 96 HE21 GLN 96 -1.062 0.287 -18.950 545 HE22 GLN 96 HE22 GLN 96 -0.821 -0.538 -20.448 546 H LYS 97 HN LYS 97 1.044 0.939 -15.151 547 HA LYS 97 HA LYS 97 0.320 3.662 -15.528 548 HB2 LYS 97 HB2 LYS 97 -0.636 1.373 -13.897 549 HB3 LYS 97 HB3 LYS 97 -1.067 2.978 -13.333 550 HG2 LYS 97 HG2 LYS 97 -2.849 2.225 -14.685 551 HG3 LYS 97 HG3 LYS 97 -1.978 3.436 -15.625 552 HD2 LYS 97 HD2 LYS 97 -0.802 1.641 -16.821 553 HD3 LYS 97 HD3 LYS 97 -1.708 0.442 -15.897 554 HE2 LYS 97 HE2 LYS 97 -2.800 0.650 -17.989 555 HE3 LYS 97 HE3 LYS 97 -3.808 1.485 -16.808 556 HZ1 LYS 97 HZ1 LYS 97 -3.569 2.755 -18.858 557 HZ2 LYS 97 HZ2 LYS 97 -1.889 2.797 -18.660 558 HZ3 LYS 97 HZ3 LYS 97 -2.891 3.588 -17.550 559 H PHE 98 HN PHE 98 2.141 1.943 -13.033 560 HA PHE 98 HA PHE 98 2.405 4.420 -11.488 561 HB2 PHE 98 HB2 PHE 98 3.175 1.587 -10.755 562 HB3 PHE 98 HB3 PHE 98 3.303 2.988 -9.698 563 HD1 PHE 98 HD1 PHE 98 0.909 4.388 -9.772 564 HD2 PHE 98 HD2 PHE 98 1.457 0.190 -10.194 565 HE1 PHE 98 HE1 PHE 98 -1.392 4.013 -8.990 566 HE2 PHE 98 HE2 PHE 98 -0.844 -0.192 -9.417 567 HZ PHE 98 HZ PHE 98 -2.271 1.723 -8.812 568 H CYS 99 HN CYS 99 3.813 4.148 -14.001 569 HA CYS 99 HA CYS 99 6.585 3.651 -13.281 570 HB2 CYS 99 HB2 CYS 99 5.647 2.958 -15.500 571 HB3 CYS 99 HB3 CYS 99 5.452 4.660 -15.903 572 HG CYS 99 HG CYS 99 8.544 4.239 -14.958 573 H MET 100 HN MET 100 6.201 5.446 -11.611 574 HA MET 100 HA MET 100 7.477 7.851 -12.597 575 HB2 MET 100 HB2 MET 100 5.803 9.408 -11.916 576 HB3 MET 100 HB3 MET 100 4.982 8.211 -12.908 577 HG2 MET 100 HG2 MET 100 4.346 7.067 -10.733 578 HG3 MET 100 HG3 MET 100 4.898 8.531 -9.926 579 HE1 MET 100 HE1 MET 100 2.848 7.784 -13.245 580 HE2 MET 100 HE2 MET 100 1.221 8.134 -12.659 581 HE3 MET 100 HE3 MET 100 2.140 6.797 -11.966 582 H SER 101 HN SER 101 7.908 9.389 -10.726 583 HA SER 101 HA SER 101 9.075 7.868 -8.586 584 HB2 SER 101 HB2 SER 101 8.880 10.867 -9.036 585 HB3 SER 101 HB3 SER 101 9.810 10.107 -7.745 586 HG SER 101 HG SER 101 10.887 10.669 -9.859 587 H GLY 102 HN GLY 102 8.747 8.354 -6.304 588 HA2 GLY 102 HA2 GLY 102 6.137 7.923 -5.459 589 HA3 GLY 102 HA1 GLY 102 7.443 8.478 -4.426 590 H ALA 103 HN ALA 103 7.955 10.985 -5.552 591 HA ALA 103 HA ALA 103 6.149 12.648 -4.268 592 HB1 ALA 103 HB1 ALA 103 8.395 13.338 -4.972 593 HB2 ALA 103 HB2 ALA 103 7.163 14.480 -5.509 594 HB3 ALA 103 HB3 ALA 103 7.866 13.338 -6.654 595 H ALA 104 HN ALA 104 6.147 11.511 -7.621 596 HA ALA 104 HA ALA 104 3.967 13.147 -8.484 597 HB1 ALA 104 HB1 ALA 104 5.620 12.201 -10.042 598 HB2 ALA 104 HB2 ALA 104 3.970 11.760 -10.479 599 HB3 ALA 104 HB3 ALA 104 5.017 10.583 -9.687 600 H LEU 105 HN LEU 105 4.277 9.752 -7.466 601 HA LEU 105 HA LEU 105 1.649 8.911 -7.840 602 HB2 LEU 105 HB2 LEU 105 3.759 7.586 -7.163 603 HB3 LEU 105 HB3 LEU 105 3.334 8.017 -5.518 604 HG LEU 105 HG LEU 105 1.105 6.921 -5.894 605 HD11 LEU 105 HD11 LEU 105 0.968 5.314 -7.766 606 HD12 LEU 105 HD12 LEU 105 2.456 5.995 -8.424 607 HD13 LEU 105 HD13 LEU 105 1.007 6.994 -8.300 608 HD21 LEU 105 HD21 LEU 105 2.917 5.807 -4.692 609 HD22 LEU 105 HD22 LEU 105 3.552 5.186 -6.215 610 HD23 LEU 105 HD23 LEU 105 1.975 4.653 -5.634 611 H CYS 106 HN CYS 106 3.125 10.452 -4.991 612 HA CYS 106 HA CYS 106 0.805 10.382 -3.376 613 HB2 CYS 106 HB2 CYS 106 3.018 10.734 -2.413 614 HB3 CYS 106 HB3 CYS 106 3.188 12.248 -3.292 615 HG CYS 106 HG CYS 106 0.526 12.026 -1.235 616 H ALA 107 HN ALA 107 2.105 12.813 -5.595 617 HA ALA 107 HA ALA 107 0.234 14.857 -5.079 618 HB1 ALA 107 HB1 ALA 107 0.946 15.799 -7.227 619 HB2 ALA 107 HB2 ALA 107 1.774 14.289 -7.610 620 HB3 ALA 107 HB3 ALA 107 2.321 15.276 -6.254 621 H LEU 108 HN LEU 108 0.084 12.009 -7.123 622 HA LEU 108 HA LEU 108 -2.074 12.712 -8.760 623 HB2 LEU 108 HB2 LEU 108 -1.025 10.069 -7.800 624 HB3 LEU 108 HB3 LEU 108 -2.425 10.166 -8.847 625 HG LEU 108 HG LEU 108 0.323 11.215 -9.526 626 HD11 LEU 108 HD11 LEU 108 0.350 9.342 -11.141 627 HD12 LEU 108 HD12 LEU 108 -1.138 8.733 -10.414 628 HD13 LEU 108 HD13 LEU 108 0.344 8.809 -9.460 629 HD21 LEU 108 HD21 LEU 108 -1.416 12.494 -10.622 630 HD22 LEU 108 HD22 LEU 108 -2.201 11.011 -11.166 631 HD23 LEU 108 HD23 LEU 108 -0.613 11.449 -11.794 632 H GLY 109 HN GLY 109 -2.005 11.366 -5.495 633 HA2 GLY 109 HA2 GLY 109 -3.684 11.433 -3.897 634 HA3 GLY 109 HA1 GLY 109 -4.771 12.097 -5.106 635 H LYS 110 HN LYS 110 -5.936 10.375 -3.532 636 HA LYS 110 HA LYS 110 -5.708 7.641 -4.102 637 HB2 LYS 110 HB2 LYS 110 -6.911 8.397 -2.149 638 HB3 LYS 110 HB3 LYS 110 -8.084 9.245 -3.146 639 HG2 LYS 110 HG2 LYS 110 -8.801 7.069 -4.079 640 HG3 LYS 110 HG3 LYS 110 -7.702 6.266 -2.955 641 HD2 LYS 110 HD2 LYS 110 -8.953 6.886 -1.097 642 HD3 LYS 110 HD3 LYS 110 -9.752 8.204 -1.953 643 HE2 LYS 110 HE2 LYS 110 -11.297 6.369 -1.582 644 HE3 LYS 110 HE3 LYS 110 -10.983 6.578 -3.303 645 HZ1 LYS 110 HZ1 LYS 110 -9.419 4.727 -3.198 646 HZ2 LYS 110 HZ2 LYS 110 -10.960 4.248 -2.692 647 HZ3 LYS 110 HZ3 LYS 110 -9.745 4.522 -1.550 648 H GLU 111 HN GLU 111 -7.991 10.040 -5.454 649 HA GLU 111 HA GLU 111 -9.444 8.391 -7.138 650 HB2 GLU 111 HB2 GLU 111 -9.851 10.413 -8.516 651 HB3 GLU 111 HB3 GLU 111 -10.083 10.689 -6.797 652 HG2 GLU 111 HG2 GLU 111 -7.840 11.725 -6.703 653 HG3 GLU 111 HG3 GLU 111 -7.712 11.529 -8.449 654 H CYS 112 HN CYS 112 -6.433 10.144 -8.021 655 HA CYS 112 HA CYS 112 -6.333 9.068 -10.636 656 HB2 CYS 112 HB2 CYS 112 -4.207 10.316 -8.901 657 HB3 CYS 112 HB3 CYS 112 -3.928 9.834 -10.570 658 HG CYS 112 HG CYS 112 -6.620 11.725 -10.391 659 H PHE 113 HN PHE 113 -4.796 8.066 -7.587 660 HA PHE 113 HA PHE 113 -3.194 6.023 -8.678 661 HB2 PHE 113 HB2 PHE 113 -2.892 6.995 -6.410 662 HB3 PHE 113 HB3 PHE 113 -4.363 6.180 -5.892 663 HD1 PHE 113 HD1 PHE 113 -0.862 5.747 -6.844 664 HD2 PHE 113 HD2 PHE 113 -4.406 3.802 -5.524 665 HE1 PHE 113 HE1 PHE 113 0.453 3.745 -6.284 666 HE2 PHE 113 HE2 PHE 113 -3.101 1.795 -4.960 667 HZ PHE 113 HZ PHE 113 -0.667 1.764 -5.339 668 H LEU 114 HN LEU 114 -6.492 5.994 -7.359 669 HA LEU 114 HA LEU 114 -6.873 3.204 -7.523 670 HB2 LEU 114 HB2 LEU 114 -8.268 5.102 -6.342 671 HB3 LEU 114 HB3 LEU 114 -9.154 5.104 -7.855 672 HG LEU 114 HG LEU 114 -9.650 2.697 -7.539 673 HD11 LEU 114 HD11 LEU 114 -7.713 2.123 -6.159 674 HD12 LEU 114 HD12 LEU 114 -9.222 1.657 -5.376 675 HD13 LEU 114 HD13 LEU 114 -8.361 3.099 -4.841 676 HD21 LEU 114 HD21 LEU 114 -10.460 4.505 -5.265 677 HD22 LEU 114 HD22 LEU 114 -11.270 3.006 -5.719 678 HD23 LEU 114 HD23 LEU 114 -11.258 4.374 -6.831 679 H GLU 115 HN GLU 115 -7.152 5.771 -9.877 680 HA GLU 115 HA GLU 115 -8.556 4.242 -11.846 681 HB2 GLU 115 HB2 GLU 115 -6.929 6.780 -12.005 682 HB3 GLU 115 HB3 GLU 115 -7.729 6.069 -13.399 683 HG2 GLU 115 HG2 GLU 115 -9.880 6.379 -12.412 684 HG3 GLU 115 HG3 GLU 115 -9.161 6.879 -10.883 685 H LEU 116 HN LEU 116 -5.273 4.425 -10.810 686 HA LEU 116 HA LEU 116 -4.148 3.369 -13.261 687 HB2 LEU 116 HB2 LEU 116 -2.933 3.883 -10.547 688 HB3 LEU 116 HB3 LEU 116 -2.034 3.341 -11.948 689 HG LEU 116 HG LEU 116 -3.543 5.948 -11.835 690 HD11 LEU 116 HD11 LEU 116 -1.338 6.998 -11.562 691 HD12 LEU 116 HD12 LEU 116 -0.614 5.400 -11.385 692 HD13 LEU 116 HD13 LEU 116 -1.770 5.982 -10.187 693 HD21 LEU 116 HD21 LEU 116 -3.190 5.062 -14.085 694 HD22 LEU 116 HD22 LEU 116 -1.463 4.915 -13.758 695 HD23 LEU 116 HD23 LEU 116 -2.219 6.507 -13.803 696 H ALA 117 HN ALA 117 -5.139 2.166 -10.106 697 HA ALA 117 HA ALA 117 -4.212 -0.528 -10.876 698 HB1 ALA 117 HB1 ALA 117 -4.335 -1.053 -8.433 699 HB2 ALA 117 HB2 ALA 117 -4.624 0.663 -8.143 700 HB3 ALA 117 HB3 ALA 117 -3.112 0.134 -8.879 701 HA PRO 118 HA PRO 118 -8.195 -2.365 -11.297 702 HB2 PRO 118 HB2 PRO 118 -7.294 -4.196 -9.119 703 HB3 PRO 118 HB3 PRO 118 -8.021 -4.578 -10.683 704 HG2 PRO 118 HG2 PRO 118 -5.383 -4.830 -10.229 705 HG3 PRO 118 HG3 PRO 118 -6.036 -4.371 -11.811 706 HD2 PRO 118 HD2 PRO 118 -4.556 -2.746 -9.855 707 HD3 PRO 118 HD3 PRO 118 -4.795 -2.484 -11.589 708 H ASP 119 HN ASP 119 -10.120 -2.996 -10.113 709 HA ASP 119 HA ASP 119 -10.966 -1.070 -8.264 710 HB2 ASP 119 HB2 ASP 119 -12.196 -3.702 -9.039 711 HB3 ASP 119 HB3 ASP 119 -13.009 -2.470 -8.078 712 H PHE 120 HN PHE 120 -9.413 -4.124 -7.696 713 HA PHE 120 HA PHE 120 -10.233 -3.896 -4.905 714 HB2 PHE 120 HB2 PHE 120 -9.751 -6.296 -4.575 715 HB3 PHE 120 HB3 PHE 120 -10.957 -6.026 -5.825 716 HD1 PHE 120 HD1 PHE 120 -10.184 -6.115 -8.256 717 HD2 PHE 120 HD2 PHE 120 -7.845 -7.554 -5.002 718 HE1 PHE 120 HE1 PHE 120 -8.869 -7.490 -9.813 719 HE2 PHE 120 HE2 PHE 120 -6.525 -8.930 -6.557 720 HZ PHE 120 HZ PHE 120 -7.037 -8.899 -8.965 721 H VAL 121 HN VAL 121 -7.367 -4.744 -6.857 722 HA VAL 121 HA VAL 121 -5.552 -4.770 -4.698 723 HB VAL 121 HB VAL 121 -3.775 -4.696 -6.272 724 HG11 VAL 121 HG11 VAL 121 -6.066 -6.077 -7.659 725 HG12 VAL 121 HG12 VAL 121 -5.167 -6.741 -6.295 726 HG13 VAL 121 HG13 VAL 121 -4.349 -6.439 -7.827 727 HG21 VAL 121 HG21 VAL 121 -5.777 -3.510 -8.168 728 HG22 VAL 121 HG22 VAL 121 -4.226 -4.168 -8.689 729 HG23 VAL 121 HG23 VAL 121 -4.274 -2.799 -7.579 730 H GLY 122 HN GLY 122 -6.782 -2.144 -6.702 731 HA2 GLY 122 HA2 GLY 122 -4.972 -0.126 -6.085 732 HA3 GLY 122 HA1 GLY 122 -6.668 0.133 -6.460 733 H ASP 123 HN ASP 123 -7.821 -1.189 -4.246 734 HA ASP 123 HA ASP 123 -7.786 0.844 -2.310 735 HB2 ASP 123 HB2 ASP 123 -9.668 -0.759 -2.671 736 HB3 ASP 123 HB3 ASP 123 -8.691 -2.017 -1.918 737 H ILE 124 HN ILE 124 -6.246 -2.359 -2.335 738 HA ILE 124 HA ILE 124 -5.139 -2.258 0.244 739 HB ILE 124 HB ILE 124 -4.050 -3.693 -2.182 740 HG12 ILE 124 HG12 ILE 124 -5.889 -4.722 -0.011 741 HG13 ILE 124 HG13 ILE 124 -6.415 -4.249 -1.623 742 HG21 ILE 124 HG21 ILE 124 -2.393 -3.541 -0.431 743 HG22 ILE 124 HG22 ILE 124 -2.999 -5.193 -0.537 744 HG23 ILE 124 HG23 ILE 124 -3.554 -4.132 0.758 745 HD11 ILE 124 HD11 ILE 124 -4.965 -5.986 -2.575 746 HD12 ILE 124 HD12 ILE 124 -6.200 -6.637 -1.497 747 HD13 ILE 124 HD13 ILE 124 -4.533 -6.489 -0.942 748 H LEU 125 HN LEU 125 -3.556 -1.649 -2.890 749 HA LEU 125 HA LEU 125 -1.083 -0.832 -1.912 750 HB2 LEU 125 HB2 LEU 125 -2.484 0.125 -4.424 751 HB3 LEU 125 HB3 LEU 125 -0.771 0.286 -4.092 752 HG LEU 125 HG LEU 125 -2.253 -2.322 -4.438 753 HD11 LEU 125 HD11 LEU 125 -2.051 -1.102 -6.528 754 HD12 LEU 125 HD12 LEU 125 -0.981 -2.504 -6.521 755 HD13 LEU 125 HD13 LEU 125 -0.321 -0.891 -6.255 756 HD21 LEU 125 HD21 LEU 125 -0.393 -2.545 -2.890 757 HD22 LEU 125 HD22 LEU 125 0.686 -1.766 -4.048 758 HD23 LEU 125 HD23 LEU 125 -0.024 -3.337 -4.422 759 H TRP 126 HN TRP 126 -3.773 1.352 -2.940 760 HA TRP 126 HA TRP 126 -2.451 3.699 -2.045 761 HB2 TRP 126 HB2 TRP 126 -4.171 4.367 -3.408 762 HB3 TRP 126 HB3 TRP 126 -5.192 2.999 -2.981 763 HD1 TRP 126 HD1 TRP 126 -4.506 6.621 -2.059 764 HE1 TRP 126 HE1 TRP 126 -6.305 7.423 -0.403 765 HE3 TRP 126 HE3 TRP 126 -6.778 2.151 -1.104 766 HZ2 TRP 126 HZ2 TRP 126 -8.411 6.304 1.109 767 HZ3 TRP 126 HZ3 TRP 126 -8.674 2.096 0.460 768 HH2 TRP 126 HH2 TRP 126 -9.474 4.131 1.544 769 H GLU 127 HN GLU 127 -4.573 1.434 -0.307 770 HA GLU 127 HA GLU 127 -5.047 3.011 1.964 771 HB2 GLU 127 HB2 GLU 127 -6.120 0.818 1.548 772 HB3 GLU 127 HB3 GLU 127 -4.593 0.010 1.869 773 HG2 GLU 127 HG2 GLU 127 -4.643 0.584 4.141 774 HG3 GLU 127 HG3 GLU 127 -5.903 1.792 3.892 775 H HIS 128 HN HIS 128 -2.416 0.635 1.419 776 HA HIS 128 HA HIS 128 -0.976 1.402 3.760 777 HB2 HIS 128 HB2 HIS 128 -0.793 -0.849 2.759 778 HB3 HIS 128 HB3 HIS 128 -0.032 -0.146 1.338 779 HD1 HIS 128 HD1 HIS 128 2.036 -1.688 1.832 780 HD2 HIS 128 HD2 HIS 128 1.262 1.184 4.735 781 HE1 HIS 128 HE1 HIS 128 4.116 -1.578 3.240 782 HE2 HIS 128 HE2 HIS 128 3.606 0.129 5.021 783 H LEU 129 HN LEU 129 -0.973 2.412 0.415 784 HA LEU 129 HA LEU 129 1.510 3.697 0.261 785 HB2 LEU 129 HB2 LEU 129 0.041 3.232 -1.667 786 HB3 LEU 129 HB3 LEU 129 -1.078 4.453 -1.098 787 HG LEU 129 HG LEU 129 0.669 6.176 -1.421 788 HD11 LEU 129 HD11 LEU 129 2.241 3.909 -2.635 789 HD12 LEU 129 HD12 LEU 129 2.637 4.770 -1.148 790 HD13 LEU 129 HD13 LEU 129 2.679 5.616 -2.696 791 HD21 LEU 129 HD21 LEU 129 0.029 4.487 -3.834 792 HD22 LEU 129 HD22 LEU 129 0.604 6.153 -3.880 793 HD23 LEU 129 HD23 LEU 129 -0.965 5.780 -3.166 794 H GLU 130 HN GLU 130 -1.690 5.030 1.152 795 HA GLU 130 HA GLU 130 -0.708 7.619 1.686 796 HB2 GLU 130 HB2 GLU 130 -3.201 6.347 2.806 797 HB3 GLU 130 HB3 GLU 130 -2.856 8.068 2.742 798 HG2 GLU 130 HG2 GLU 130 -3.505 6.207 0.487 799 HG3 GLU 130 HG3 GLU 130 -4.354 7.662 0.993 800 H ILE 131 HN ILE 131 -1.077 4.724 3.613 801 HA ILE 131 HA ILE 131 -0.727 5.795 6.167 802 HB ILE 131 HB ILE 131 -0.033 3.096 5.018 803 HG12 ILE 131 HG12 ILE 131 -2.135 3.912 7.032 804 HG13 ILE 131 HG13 ILE 131 -2.430 3.792 5.302 805 HG21 ILE 131 HG21 ILE 131 0.286 2.315 7.349 806 HG22 ILE 131 HG22 ILE 131 0.259 3.998 7.879 807 HG23 ILE 131 HG23 ILE 131 1.537 3.431 6.803 808 HD11 ILE 131 HD11 ILE 131 -1.856 1.411 5.386 809 HD12 ILE 131 HD12 ILE 131 -3.216 1.813 6.434 810 HD13 ILE 131 HD13 ILE 131 -1.617 1.544 7.129 811 H LEU 132 HN LEU 132 1.634 4.804 3.726 812 HA LEU 132 HA LEU 132 3.975 5.148 5.256 813 HB2 LEU 132 HB2 LEU 132 3.482 5.378 2.290 814 HB3 LEU 132 HB3 LEU 132 5.077 5.459 3.012 815 HG LEU 132 HG LEU 132 3.222 3.084 3.225 816 HD11 LEU 132 HD11 LEU 132 4.772 2.002 1.658 817 HD12 LEU 132 HD12 LEU 132 5.627 3.533 1.463 818 HD13 LEU 132 HD13 LEU 132 3.951 3.385 0.933 819 HD21 LEU 132 HD21 LEU 132 6.109 3.468 4.017 820 HD22 LEU 132 HD22 LEU 132 5.242 1.931 4.040 821 HD23 LEU 132 HD23 LEU 132 4.740 3.242 5.106 822 H GLN 133 HN GLN 133 2.059 7.391 3.304 823 HA GLN 133 HA GLN 133 3.777 9.613 3.403 824 HB2 GLN 133 HB2 GLN 133 0.762 9.560 3.220 825 HB3 GLN 133 HB3 GLN 133 1.786 10.938 2.840 826 HG2 GLN 133 HG2 GLN 133 2.777 9.755 0.996 827 HG3 GLN 133 HG3 GLN 133 1.893 8.289 1.419 828 HE21 GLN 133 HE21 GLN 133 0.989 8.234 -0.658 829 HE22 GLN 133 HE22 GLN 133 -0.298 9.293 -1.107 830 H LYS 134 HN LYS 134 0.981 8.770 5.431 831 HA LYS 134 HA LYS 134 1.230 10.947 7.213 832 HB2 LYS 134 HB2 LYS 134 -0.072 8.250 7.621 833 HB3 LYS 134 HB3 LYS 134 -0.294 9.648 8.665 834 HG2 LYS 134 HG2 LYS 134 -1.393 10.863 6.934 835 HG3 LYS 134 HG3 LYS 134 -0.984 9.634 5.736 836 HD2 LYS 134 HD2 LYS 134 -2.707 9.096 8.151 837 HD3 LYS 134 HD3 LYS 134 -3.355 9.575 6.581 838 HE2 LYS 134 HE2 LYS 134 -2.252 7.602 5.571 839 HE3 LYS 134 HE3 LYS 134 -1.721 7.110 7.179 840 HZ1 LYS 134 HZ1 LYS 134 -4.051 6.954 7.843 841 HZ2 LYS 134 HZ2 LYS 134 -3.716 5.933 6.538 842 HZ3 LYS 134 HZ3 LYS 134 -4.540 7.387 6.282 843 H GLU 135 HN GLU 135 2.594 7.707 7.187 844 HA GLU 135 HA GLU 135 3.575 7.597 9.808 845 HB2 GLU 135 HB2 GLU 135 3.531 5.601 8.493 846 HB3 GLU 135 HB3 GLU 135 4.530 6.324 7.242 847 HG2 GLU 135 HG2 GLU 135 6.374 6.454 8.955 848 HG3 GLU 135 HG3 GLU 135 5.358 5.457 9.997 849 H ASP 136 HN ASP 136 5.103 8.758 6.822 850 HA ASP 136 HA ASP 136 6.826 10.500 8.380 851 HB2 ASP 136 HB2 ASP 136 8.155 8.452 8.185 852 HB3 ASP 136 HB3 ASP 136 7.930 8.451 6.441 853 H VAL 137 HN VAL 137 6.382 12.403 7.528 854 HA VAL 137 HA VAL 137 5.549 12.730 4.799 855 HB VAL 137 HB VAL 137 5.418 15.134 5.312 856 HG11 VAL 137 HG11 VAL 137 4.190 13.340 7.401 857 HG12 VAL 137 HG12 VAL 137 3.511 13.734 5.822 858 HG13 VAL 137 HG13 VAL 137 3.678 14.989 7.049 859 HG21 VAL 137 HG21 VAL 137 5.846 15.910 7.618 860 HG22 VAL 137 HG22 VAL 137 7.311 15.371 6.799 861 HG23 VAL 137 HG23 VAL 137 6.538 14.334 7.998 862 H LYS 138 HN LYS 138 8.483 13.361 6.644 863 HA LYS 138 HA LYS 138 9.928 13.737 4.132 864 HB2 LYS 138 HB2 LYS 138 9.406 15.997 4.958 865 HB3 LYS 138 HB3 LYS 138 10.177 15.614 6.490 866 HG2 LYS 138 HG2 LYS 138 11.638 16.946 5.089 867 HG3 LYS 138 HG3 LYS 138 12.319 15.339 5.349 868 HD2 LYS 138 HD2 LYS 138 11.491 14.639 3.149 869 HD3 LYS 138 HD3 LYS 138 10.818 16.250 2.891 870 HE2 LYS 138 HE2 LYS 138 13.740 15.655 3.348 871 HE3 LYS 138 HE3 LYS 138 13.000 15.890 1.766 872 HZ1 LYS 138 HZ1 LYS 138 12.376 18.132 2.438 873 HZ2 LYS 138 HZ2 LYS 138 14.048 17.913 2.550 874 HZ3 LYS 138 HZ3 LYS 138 13.100 17.904 3.951 Start of MODEL 3 1 H HIS 28 H1 HIS 28 -0.775 12.262 16.615 2 HA HIS 28 HA HIS 28 1.159 13.288 18.609 3 HB2 HIS 28 HB2 HIS 28 2.413 14.187 16.702 4 HB3 HIS 28 HB3 HIS 28 2.311 12.432 16.615 5 HD1 HIS 28 HD1 HIS 28 0.941 11.417 14.678 6 HD2 HIS 28 HD2 HIS 28 1.048 15.569 14.676 7 HE1 HIS 28 HE1 HIS 28 0.057 12.110 12.430 8 HE2 HIS 28 HE2 HIS 28 0.211 14.625 12.420 9 H MET 29 HN MET 29 1.491 15.702 18.212 10 HA MET 29 HA MET 29 -1.062 16.983 18.400 11 HB2 MET 29 HB2 MET 29 1.734 18.133 18.347 12 HB3 MET 29 HB3 MET 29 0.280 19.066 18.673 13 HG2 MET 29 HG2 MET 29 -0.155 17.690 20.648 14 HG3 MET 29 HG3 MET 29 1.313 16.769 20.323 15 HE1 MET 29 HE1 MET 29 0.702 18.151 23.126 16 HE2 MET 29 HE2 MET 29 2.276 18.854 23.499 17 HE3 MET 29 HE3 MET 29 2.175 17.240 22.793 18 H GLU 30 HN GLU 30 1.701 17.566 16.207 19 HA GLU 30 HA GLU 30 -0.167 18.002 14.010 20 HB2 GLU 30 HB2 GLU 30 0.793 20.128 13.362 21 HB3 GLU 30 HB3 GLU 30 0.185 20.229 15.006 22 HG2 GLU 30 HG2 GLU 30 3.078 19.825 14.275 23 HG3 GLU 30 HG3 GLU 30 2.344 21.378 14.663 24 H CYS 31 HN CYS 31 3.235 17.778 15.022 25 HA CYS 31 HA CYS 31 4.073 17.063 12.341 26 HB2 CYS 31 HB2 CYS 31 5.617 17.231 14.938 27 HB3 CYS 31 HB3 CYS 31 6.333 16.880 13.369 28 HG CYS 31 HG CYS 31 6.790 19.576 14.275 29 H ALA 32 HN ALA 32 3.809 15.064 11.614 30 HA ALA 32 HA ALA 32 3.376 12.838 13.383 31 HB1 ALA 32 HB1 ALA 32 2.191 13.129 11.213 32 HB2 ALA 32 HB2 ALA 32 2.958 11.553 11.411 33 HB3 ALA 32 HB3 ALA 32 3.712 12.779 10.391 34 H ASP 33 HN ASP 33 6.147 14.279 12.011 35 HA ASP 33 HA ASP 33 7.720 11.835 11.974 36 HB2 ASP 33 HB2 ASP 33 8.641 14.686 11.528 37 HB3 ASP 33 HB3 ASP 33 9.521 13.216 11.123 38 H VAL 34 HN VAL 34 7.080 11.674 14.382 39 HA VAL 34 HA VAL 34 9.304 12.760 15.953 40 HB VAL 34 HB VAL 34 6.432 12.818 16.904 41 HG11 VAL 34 HG11 VAL 34 8.979 13.735 18.237 42 HG12 VAL 34 HG12 VAL 34 7.972 12.369 18.720 43 HG13 VAL 34 HG13 VAL 34 7.350 14.014 18.852 44 HG21 VAL 34 HG21 VAL 34 8.274 15.075 16.116 45 HG22 VAL 34 HG22 VAL 34 6.696 15.271 16.880 46 HG23 VAL 34 HG23 VAL 34 6.814 14.564 15.269 47 HA PRO 35 HA PRO 35 9.368 8.457 17.160 48 HB2 PRO 35 HB2 PRO 35 11.421 8.597 18.907 49 HB3 PRO 35 HB3 PRO 35 11.662 8.690 17.159 50 HG2 PRO 35 HG2 PRO 35 11.556 10.898 19.176 51 HG3 PRO 35 HG3 PRO 35 12.677 10.675 17.820 52 HD2 PRO 35 HD2 PRO 35 10.534 12.349 17.716 53 HD3 PRO 35 HD3 PRO 35 11.188 11.522 16.287 54 H LEU 36 HN LEU 36 8.901 7.154 18.994 55 HA LEU 36 HA LEU 36 7.833 8.629 21.310 56 HB2 LEU 36 HB2 LEU 36 6.691 6.179 19.968 57 HB3 LEU 36 HB3 LEU 36 6.116 6.824 21.492 58 HG LEU 36 HG LEU 36 6.073 8.357 18.890 59 HD11 LEU 36 HD11 LEU 36 4.611 6.384 18.799 60 HD12 LEU 36 HD12 LEU 36 3.696 7.892 18.816 61 HD13 LEU 36 HD13 LEU 36 3.818 6.918 20.281 62 HD21 LEU 36 HD21 LEU 36 6.129 9.794 20.834 63 HD22 LEU 36 HD22 LEU 36 4.820 8.881 21.584 64 HD23 LEU 36 HD23 LEU 36 4.516 9.821 20.122 65 H LEU 37 HN LEU 37 10.027 8.238 22.168 66 HA LEU 37 HA LEU 37 10.470 5.475 23.053 67 HB2 LEU 37 HB2 LEU 37 12.347 6.571 21.917 68 HB3 LEU 37 HB3 LEU 37 12.327 7.858 23.109 69 HG LEU 37 HG LEU 37 12.977 6.279 24.860 70 HD11 LEU 37 HD11 LEU 37 13.056 4.231 22.648 71 HD12 LEU 37 HD12 LEU 37 11.900 4.278 23.978 72 HD13 LEU 37 HD13 LEU 37 13.609 3.988 24.304 73 HD21 LEU 37 HD21 LEU 37 14.747 6.151 22.421 74 HD22 LEU 37 HD22 LEU 37 15.250 5.811 24.076 75 HD23 LEU 37 HD23 LEU 37 14.728 7.435 23.630 76 H TPO 38 HN TPO 38 8.657 5.743 24.546 77 HA TPO 38 HA TPO 38 9.604 6.512 27.161 78 HB TPO 38 HB TPO 38 6.937 7.667 26.699 79 HG21 TPO 38 HG21 TPO 38 8.128 8.056 28.773 80 HG22 TPO 38 HG22 TPO 38 7.878 9.572 27.907 81 HG23 TPO 38 HG23 TPO 38 9.462 8.797 27.888 82 HA PRO 39 HA PRO 39 7.432 2.475 27.303 83 HB2 PRO 39 HB2 PRO 39 8.319 3.001 30.118 84 HB3 PRO 39 HB3 PRO 39 8.357 1.495 29.191 85 HG2 PRO 39 HG2 PRO 39 10.570 2.915 29.501 86 HG3 PRO 39 HG3 PRO 39 10.202 2.156 27.942 87 HD2 PRO 39 HD2 PRO 39 10.044 5.020 28.737 88 HD3 PRO 39 HD3 PRO 39 10.427 4.304 27.160 89 H SER 40 HN SER 40 5.358 3.212 26.959 90 HA SER 40 HA SER 40 3.579 3.221 29.126 91 HB2 SER 40 HB2 SER 40 4.627 5.521 29.418 92 HB3 SER 40 HB3 SER 40 3.884 5.967 27.883 93 HG SER 40 HG SER 40 2.678 5.395 30.352 94 H SEP 41 HN SEP 41 1.451 4.693 28.082 95 HA SEP 41 HA SEP 41 0.391 2.990 26.160 96 HB2 SEP 41 HB2 SEP 41 -1.415 4.624 25.920 97 HB3 SEP 41 HB3 SEP 41 -0.962 4.470 27.621 98 H LYS 42 HN LYS 42 2.030 6.116 25.721 99 HA LYS 42 HA LYS 42 1.529 6.357 22.955 100 HB2 LYS 42 HB2 LYS 42 3.789 7.498 24.607 101 HB3 LYS 42 HB3 LYS 42 3.389 7.996 22.969 102 HG2 LYS 42 HG2 LYS 42 1.204 8.769 23.731 103 HG3 LYS 42 HG3 LYS 42 1.595 8.259 25.374 104 HD2 LYS 42 HD2 LYS 42 3.502 9.826 25.375 105 HD3 LYS 42 HD3 LYS 42 3.032 10.368 23.762 106 HE2 LYS 42 HE2 LYS 42 2.194 11.936 25.378 107 HE3 LYS 42 HE3 LYS 42 0.834 11.051 24.688 108 HZ1 LYS 42 HZ1 LYS 42 0.658 11.294 27.101 109 HZ2 LYS 42 HZ2 LYS 42 2.109 10.450 27.304 110 HZ3 LYS 42 HZ3 LYS 42 0.760 9.667 26.651 111 H GLU 43 HN GLU 43 4.226 4.862 24.729 112 HA GLU 43 HA GLU 43 5.766 4.298 22.410 113 HB2 GLU 43 HB2 GLU 43 6.701 4.335 24.712 114 HB3 GLU 43 HB3 GLU 43 5.818 2.856 25.068 115 HG2 GLU 43 HG2 GLU 43 7.107 1.615 23.504 116 HG3 GLU 43 HG3 GLU 43 7.847 3.080 22.864 117 H MET 44 HN MET 44 3.240 2.554 24.139 118 HA MET 44 HA MET 44 3.478 0.046 22.942 119 HB2 MET 44 HB2 MET 44 2.037 0.473 24.866 120 HB3 MET 44 HB3 MET 44 0.997 1.493 23.886 121 HG2 MET 44 HG2 MET 44 0.408 -0.454 22.512 122 HG3 MET 44 HG3 MET 44 1.418 -1.466 23.544 123 HE1 MET 44 HE1 MET 44 -1.687 0.972 23.519 124 HE2 MET 44 HE2 MET 44 -0.688 1.548 24.854 125 HE3 MET 44 HE3 MET 44 -2.252 0.800 25.181 126 H MET 45 HN MET 45 2.057 3.025 21.752 127 HA MET 45 HA MET 45 0.567 1.998 19.605 128 HB2 MET 45 HB2 MET 45 1.964 4.669 19.870 129 HB3 MET 45 HB3 MET 45 0.785 4.275 18.627 130 HG2 MET 45 HG2 MET 45 -0.929 3.963 20.309 131 HG3 MET 45 HG3 MET 45 0.245 4.271 21.588 132 HE1 MET 45 HE1 MET 45 -1.116 7.454 18.533 133 HE2 MET 45 HE2 MET 45 -1.796 5.828 18.603 134 HE3 MET 45 HE3 MET 45 -0.119 6.062 18.112 135 H SER 46 HN SER 46 3.969 2.986 19.832 136 HA SER 46 HA SER 46 4.640 2.736 17.129 137 HB2 SER 46 HB2 SER 46 6.108 3.801 18.816 138 HB3 SER 46 HB3 SER 46 6.421 2.218 19.529 139 HG SER 46 HG SER 46 8.083 2.571 18.146 140 H GLN 47 HN GLN 47 4.806 0.361 19.767 141 HA GLN 47 HA GLN 47 5.931 -1.825 18.538 142 HB2 GLN 47 HB2 GLN 47 3.845 -1.514 20.643 143 HB3 GLN 47 HB3 GLN 47 4.171 -3.119 20.003 144 HG2 GLN 47 HG2 GLN 47 5.508 -2.911 21.916 145 HG3 GLN 47 HG3 GLN 47 6.601 -2.705 20.550 146 HE21 GLN 47 HE21 GLN 47 7.451 -0.644 20.114 147 HE22 GLN 47 HE22 GLN 47 7.443 0.608 21.304 148 H ALA 48 HN ALA 48 2.442 -1.059 18.561 149 HA ALA 48 HA ALA 48 1.558 -3.152 16.989 150 HB1 ALA 48 HB1 ALA 48 0.062 -1.646 18.195 151 HB2 ALA 48 HB2 ALA 48 -0.406 -1.795 16.500 152 HB3 ALA 48 HB3 ALA 48 0.441 -0.352 17.058 153 H LEU 49 HN LEU 49 2.560 0.090 15.861 154 HA LEU 49 HA LEU 49 2.137 -0.485 13.109 155 HB2 LEU 49 HB2 LEU 49 3.554 1.683 14.607 156 HB3 LEU 49 HB3 LEU 49 3.754 1.556 12.870 157 HG LEU 49 HG LEU 49 1.332 1.813 12.560 158 HD11 LEU 49 HD11 LEU 49 -0.083 2.462 14.455 159 HD12 LEU 49 HD12 LEU 49 1.259 2.146 15.555 160 HD13 LEU 49 HD13 LEU 49 0.547 0.825 14.630 161 HD21 LEU 49 HD21 LEU 49 2.542 3.966 14.290 162 HD22 LEU 49 HD22 LEU 49 1.180 4.159 13.187 163 HD23 LEU 49 HD23 LEU 49 2.783 3.784 12.552 164 H LYS 50 HN LYS 50 4.918 -0.806 15.239 165 HA LYS 50 HA LYS 50 6.926 -1.153 13.317 166 HB2 LYS 50 HB2 LYS 50 6.639 -2.151 16.141 167 HB3 LYS 50 HB3 LYS 50 8.072 -2.474 15.177 168 HG2 LYS 50 HG2 LYS 50 8.650 -0.198 15.079 169 HG3 LYS 50 HG3 LYS 50 7.061 0.312 15.649 170 HD2 LYS 50 HD2 LYS 50 8.674 0.531 17.437 171 HD3 LYS 50 HD3 LYS 50 7.535 -0.758 17.826 172 HE2 LYS 50 HE2 LYS 50 9.177 -2.416 17.053 173 HE3 LYS 50 HE3 LYS 50 10.314 -1.115 16.708 174 HZ1 LYS 50 HZ1 LYS 50 10.789 -2.128 18.836 175 HZ2 LYS 50 HZ2 LYS 50 9.221 -1.807 19.382 176 HZ3 LYS 50 HZ3 LYS 50 10.283 -0.529 19.064 177 H ALA 51 HN ALA 51 4.765 -3.525 14.843 178 HA ALA 51 HA ALA 51 5.981 -5.703 13.398 179 HB1 ALA 51 HB1 ALA 51 4.369 -7.127 14.519 180 HB2 ALA 51 HB2 ALA 51 3.476 -5.715 15.084 181 HB3 ALA 51 HB3 ALA 51 5.107 -6.021 15.679 182 H THR 52 HN THR 52 3.176 -3.629 12.999 183 HA THR 52 HA THR 52 1.622 -5.168 11.284 184 HB THR 52 HB THR 52 2.013 -2.169 11.321 185 HG1 THR 52 HG1 THR 52 0.719 -2.314 12.978 186 HG21 THR 52 HG21 THR 52 1.138 -2.810 9.150 187 HG22 THR 52 HG22 THR 52 -0.138 -2.062 10.108 188 HG23 THR 52 HG23 THR 52 -0.094 -3.814 9.914 189 H PHE 53 HN PHE 53 4.235 -2.875 10.423 190 HA PHE 53 HA PHE 53 4.162 -3.912 7.679 191 HB2 PHE 53 HB2 PHE 53 5.604 -1.486 8.771 192 HB3 PHE 53 HB3 PHE 53 5.487 -1.945 7.075 193 HD1 PHE 53 HD2 PHE 53 2.953 -2.328 6.277 194 HD2 PHE 53 HD1 PHE 53 4.189 0.160 9.503 195 HE1 PHE 53 HE2 PHE 53 0.873 -1.032 6.070 196 HE2 PHE 53 HE1 PHE 53 2.109 1.459 9.302 197 HZ PHE 53 HZ PHE 53 0.448 0.863 7.585 198 H SER 54 HN SER 54 5.252 -5.656 9.596 199 HA SER 54 HA SER 54 8.093 -5.463 9.684 200 HB2 SER 54 HB2 SER 54 6.185 -7.742 10.221 201 HB3 SER 54 HB3 SER 54 7.933 -7.900 10.392 202 HG SER 54 HG SER 54 6.949 -7.346 12.370 203 H GLY 55 HN GLY 55 5.814 -6.935 7.440 204 HA2 GLY 55 HA2 GLY 55 7.817 -8.472 6.051 205 HA3 GLY 55 HA1 GLY 55 6.156 -8.215 5.540 206 H PHE 56 HN PHE 56 6.834 -5.201 5.974 207 HA PHE 56 HA PHE 56 7.674 -4.788 3.214 208 HB2 PHE 56 HB2 PHE 56 5.698 -3.564 4.104 209 HB3 PHE 56 HB3 PHE 56 6.760 -2.726 5.230 210 HD1 PHE 56 HD1 PHE 56 7.225 -3.556 1.628 211 HD2 PHE 56 HD2 PHE 56 6.791 -0.509 4.568 212 HE1 PHE 56 HE1 PHE 56 7.689 -1.850 -0.079 213 HE2 PHE 56 HE2 PHE 56 7.253 1.204 2.863 214 HZ PHE 56 HZ PHE 56 7.705 0.533 0.536 215 H THR 57 HN THR 57 8.644 -3.726 6.469 216 HA THR 57 HA THR 57 10.871 -2.219 5.784 217 HB THR 57 HB THR 57 10.606 -3.960 8.241 218 HG1 THR 57 HG1 THR 57 8.949 -2.655 8.563 219 HG21 THR 57 HG21 THR 57 12.057 -2.246 9.285 220 HG22 THR 57 HG22 THR 57 12.239 -1.474 7.710 221 HG23 THR 57 HG23 THR 57 12.858 -3.104 7.970 222 H LYS 58 HN LYS 58 10.553 -5.712 5.963 223 HA LYS 58 HA LYS 58 13.293 -6.360 5.951 224 HB2 LYS 58 HB2 LYS 58 10.931 -7.873 4.824 225 HB3 LYS 58 HB3 LYS 58 12.547 -8.544 4.983 226 HG2 LYS 58 HG2 LYS 58 10.855 -7.544 7.261 227 HG3 LYS 58 HG3 LYS 58 11.043 -9.235 6.798 228 HD2 LYS 58 HD2 LYS 58 13.415 -9.133 7.286 229 HD3 LYS 58 HD3 LYS 58 13.292 -7.410 7.645 230 HE2 LYS 58 HE2 LYS 58 13.358 -8.703 9.701 231 HE3 LYS 58 HE3 LYS 58 11.793 -7.913 9.518 232 HZ1 LYS 58 HZ1 LYS 58 11.596 -10.217 10.274 233 HZ2 LYS 58 HZ2 LYS 58 12.350 -10.757 8.859 234 HZ3 LYS 58 HZ3 LYS 58 10.846 -9.989 8.774 235 H GLU 59 HN GLU 59 11.100 -5.352 3.430 236 HA GLU 59 HA GLU 59 12.943 -5.970 1.285 237 HB2 GLU 59 HB2 GLU 59 10.535 -6.145 0.886 238 HB3 GLU 59 HB3 GLU 59 10.319 -4.458 1.328 239 HG2 GLU 59 HG2 GLU 59 10.233 -4.595 -1.034 240 HG3 GLU 59 HG3 GLU 59 11.767 -3.841 -0.605 241 H GLN 60 HN GLN 60 11.704 -3.132 3.005 242 HA GLN 60 HA GLN 60 12.971 -1.124 1.556 243 HB2 GLN 60 HB2 GLN 60 12.457 -1.102 4.531 244 HB3 GLN 60 HB3 GLN 60 12.628 0.297 3.484 245 HG2 GLN 60 HG2 GLN 60 10.581 -0.584 2.252 246 HG3 GLN 60 HG3 GLN 60 10.369 -1.659 3.630 247 HE21 GLN 60 HE21 GLN 60 10.333 1.652 2.548 248 HE22 GLN 60 HE22 GLN 60 9.512 2.299 3.923 249 H GLN 61 HN GLN 61 14.233 -3.241 4.049 250 HA GLN 61 HA GLN 61 16.699 -1.739 4.306 251 HB2 GLN 61 HB2 GLN 61 17.384 -3.476 5.859 252 HB3 GLN 61 HB3 GLN 61 15.756 -2.936 6.237 253 HG2 GLN 61 HG2 GLN 61 14.859 -4.919 5.092 254 HG3 GLN 61 HG3 GLN 61 16.507 -5.466 4.792 255 HE21 GLN 61 HE21 GLN 61 14.045 -4.946 7.204 256 HE22 GLN 61 HE22 GLN 61 14.787 -5.885 8.449 257 H ARG 62 HN ARG 62 15.621 -4.648 2.634 258 HA ARG 62 HA ARG 62 18.172 -5.570 1.852 259 HB2 ARG 62 HB2 ARG 62 15.565 -6.466 1.591 260 HB3 ARG 62 HB3 ARG 62 16.044 -6.130 -0.067 261 HG2 ARG 62 HG2 ARG 62 16.500 -8.430 0.460 262 HG3 ARG 62 HG3 ARG 62 18.022 -7.564 0.240 263 HD2 ARG 62 HD2 ARG 62 18.124 -9.062 2.167 264 HD3 ARG 62 HD3 ARG 62 18.281 -7.377 2.655 265 HE ARG 62 HE ARG 62 15.588 -8.389 2.790 266 HH11 ARG 62 HH11 ARG 62 18.613 -8.055 4.524 267 HH12 ARG 62 HH12 ARG 62 17.873 -8.178 6.083 268 HH21 ARG 62 HH21 ARG 62 14.621 -8.548 4.847 269 HH22 ARG 62 HH22 ARG 62 15.607 -8.458 6.267 270 H LEU 63 HN LEU 63 15.954 -3.234 0.419 271 HA LEU 63 HA LEU 63 17.761 -2.842 -1.873 272 HB2 LEU 63 HB2 LEU 63 14.981 -1.769 -1.431 273 HB3 LEU 63 HB3 LEU 63 15.919 -1.678 -2.910 274 HG LEU 63 HG LEU 63 15.020 -4.280 -1.679 275 HD11 LEU 63 HD11 LEU 63 13.266 -4.302 -3.372 276 HD12 LEU 63 HD12 LEU 63 13.737 -2.684 -3.889 277 HD13 LEU 63 HD13 LEU 63 13.076 -2.937 -2.272 278 HD21 LEU 63 HD21 LEU 63 16.942 -4.450 -3.169 279 HD22 LEU 63 HD22 LEU 63 16.057 -3.581 -4.423 280 HD23 LEU 63 HD23 LEU 63 15.510 -5.175 -3.900 281 H GLY 64 HN GLY 64 16.395 -1.183 0.926 282 HA2 GLY 64 HA2 GLY 64 17.611 0.622 1.942 283 HA3 GLY 64 HA1 GLY 64 18.177 1.090 0.346 284 H ILE 65 HN ILE 65 14.954 0.289 0.100 285 HA ILE 65 HA ILE 65 14.053 2.835 -0.558 286 HB ILE 65 HB ILE 65 12.385 0.518 0.444 287 HG12 ILE 65 HG12 ILE 65 13.037 1.305 -2.404 288 HG13 ILE 65 HG13 ILE 65 13.868 0.027 -1.526 289 HG21 ILE 65 HG21 ILE 65 10.547 1.566 -0.784 290 HG22 ILE 65 HG22 ILE 65 11.595 2.923 -1.195 291 HG23 ILE 65 HG23 ILE 65 11.161 2.624 0.487 292 HD11 ILE 65 HD11 ILE 65 11.783 -1.206 -1.331 293 HD12 ILE 65 HD12 ILE 65 12.165 -0.860 -3.017 294 HD13 ILE 65 HD13 ILE 65 10.931 0.084 -2.180 295 HA PRO 66 HA PRO 66 13.615 4.600 3.517 296 HB2 PRO 66 HB2 PRO 66 12.688 7.019 2.788 297 HB3 PRO 66 HB3 PRO 66 14.367 6.536 2.514 298 HG2 PRO 66 HG2 PRO 66 12.072 6.585 0.596 299 HG3 PRO 66 HG3 PRO 66 13.751 7.092 0.345 300 HD2 PRO 66 HD2 PRO 66 12.748 4.677 -0.476 301 HD3 PRO 66 HD3 PRO 66 14.458 4.958 -0.092 302 H LYS 67 HN LYS 67 11.856 5.828 4.753 303 HA LYS 67 HA LYS 67 9.267 4.564 4.189 304 HB2 LYS 67 HB2 LYS 67 10.503 4.301 6.433 305 HB3 LYS 67 HB3 LYS 67 10.036 5.965 6.746 306 HG2 LYS 67 HG2 LYS 67 8.444 4.573 7.811 307 HG3 LYS 67 HG3 LYS 67 7.654 5.272 6.396 308 HD2 LYS 67 HD2 LYS 67 7.938 3.229 5.160 309 HD3 LYS 67 HD3 LYS 67 8.915 2.533 6.456 310 HE2 LYS 67 HE2 LYS 67 6.981 2.616 7.954 311 HE3 LYS 67 HE3 LYS 67 6.007 3.310 6.659 312 HZ1 LYS 67 HZ1 LYS 67 7.270 0.621 6.628 313 HZ2 LYS 67 HZ2 LYS 67 6.347 1.285 5.376 314 HZ3 LYS 67 HZ3 LYS 67 5.625 0.940 6.865 315 H ASP 68 HN ASP 68 9.810 6.667 2.533 316 HA ASP 68 HA ASP 68 7.812 8.623 3.374 317 HB2 ASP 68 HB2 ASP 68 10.629 9.303 2.540 318 HB3 ASP 68 HB3 ASP 68 9.311 10.466 2.451 319 HA PRO 69 HA PRO 69 6.626 7.499 -0.837 320 HB2 PRO 69 HB2 PRO 69 4.403 9.130 -0.844 321 HB3 PRO 69 HB3 PRO 69 4.437 7.484 -0.207 322 HG2 PRO 69 HG2 PRO 69 4.613 10.085 1.247 323 HG3 PRO 69 HG3 PRO 69 3.761 8.599 1.701 324 HD2 PRO 69 HD2 PRO 69 6.116 9.298 2.807 325 HD3 PRO 69 HD3 PRO 69 5.674 7.603 2.520 326 H ARG 70 HN ARG 70 7.004 10.797 0.428 327 HA ARG 70 HA ARG 70 6.973 12.033 -2.163 328 HB2 ARG 70 HB2 ARG 70 7.982 13.067 0.496 329 HB3 ARG 70 HB3 ARG 70 7.850 14.031 -0.965 330 HG2 ARG 70 HG2 ARG 70 5.946 14.592 0.224 331 HG3 ARG 70 HG3 ARG 70 5.361 13.380 -0.918 332 HD2 ARG 70 HD2 ARG 70 5.296 11.705 0.745 333 HD3 ARG 70 HD3 ARG 70 6.242 12.679 1.870 334 HE ARG 70 HE ARG 70 3.726 13.862 1.125 335 HH11 ARG 70 HH11 ARG 70 5.327 11.677 3.339 336 HH12 ARG 70 HH12 ARG 70 4.129 11.855 4.573 337 HH21 ARG 70 HH21 ARG 70 2.148 14.092 2.756 338 HH22 ARG 70 HH22 ARG 70 2.325 13.226 4.245 339 H GLN 71 HN GLN 71 9.429 10.711 -0.032 340 HA GLN 71 HA GLN 71 11.561 11.581 -1.829 341 HB2 GLN 71 HB2 GLN 71 11.649 10.180 0.847 342 HB3 GLN 71 HB3 GLN 71 13.069 10.636 -0.083 343 HG2 GLN 71 HG2 GLN 71 12.616 12.945 0.187 344 HG3 GLN 71 HG3 GLN 71 11.010 12.619 0.841 345 HE21 GLN 71 HE21 GLN 71 10.804 11.904 2.959 346 HE22 GLN 71 HE22 GLN 71 12.097 12.009 4.099 347 H TRP 72 HN TRP 72 9.674 9.637 -2.792 348 HA TRP 72 HA TRP 72 11.335 7.203 -2.945 349 HB2 TRP 72 HB2 TRP 72 8.416 7.713 -2.938 350 HB3 TRP 72 HB3 TRP 72 8.959 6.501 -4.090 351 HD1 TRP 72 HD1 TRP 72 10.874 6.691 -0.826 352 HE1 TRP 72 HE1 TRP 72 10.293 4.636 0.608 353 HE3 TRP 72 HE3 TRP 72 7.001 4.845 -3.599 354 HZ2 TRP 72 HZ2 TRP 72 8.433 2.508 0.565 355 HZ3 TRP 72 HZ3 TRP 72 5.873 2.798 -2.837 356 HH2 TRP 72 HH2 TRP 72 6.576 1.656 -0.799 357 H THR 73 HN THR 73 11.421 6.136 -5.095 358 HA THR 73 HA THR 73 11.008 7.987 -7.291 359 HB THR 73 HB THR 73 13.425 7.851 -6.757 360 HG1 THR 73 HG1 THR 73 13.509 8.236 -8.833 361 HG21 THR 73 HG21 THR 73 14.619 5.749 -7.290 362 HG22 THR 73 HG22 THR 73 13.063 4.948 -7.504 363 HG23 THR 73 HG23 THR 73 13.518 5.579 -5.922 364 H GLU 74 HN GLU 74 11.398 6.575 -9.504 365 HA GLU 74 HA GLU 74 9.136 5.051 -9.838 366 HB2 GLU 74 HB2 GLU 74 10.953 5.980 -11.528 367 HB3 GLU 74 HB3 GLU 74 11.560 4.333 -11.428 368 HG2 GLU 74 HG2 GLU 74 8.808 5.188 -12.280 369 HG3 GLU 74 HG3 GLU 74 10.089 4.562 -13.315 370 H THR 75 HN THR 75 12.428 3.820 -9.190 371 HA THR 75 HA THR 75 11.801 1.104 -9.254 372 HB THR 75 HB THR 75 13.891 2.355 -7.462 373 HG1 THR 75 HG1 THR 75 15.110 2.620 -9.209 374 HG21 THR 75 HG21 THR 75 13.512 -0.014 -7.035 375 HG22 THR 75 HG22 THR 75 15.072 0.220 -7.823 376 HG23 THR 75 HG23 THR 75 13.694 -0.370 -8.752 377 H HIS 76 HN HIS 76 11.808 3.360 -6.498 378 HA HIS 76 HA HIS 76 11.088 1.468 -4.530 379 HB2 HIS 76 HB2 HIS 76 10.562 4.448 -4.556 380 HB3 HIS 76 HB3 HIS 76 10.459 3.406 -3.142 381 HD1 HIS 76 HD1 HIS 76 12.317 5.590 -2.709 382 HD2 HIS 76 HD2 HIS 76 13.528 2.161 -4.717 383 HE1 HIS 76 HE1 HIS 76 14.823 5.554 -2.524 384 HE2 HIS 76 HE2 HIS 76 15.533 3.450 -3.714 385 H VAL 77 HN VAL 77 9.151 3.598 -6.580 386 HA VAL 77 HA VAL 77 6.613 3.087 -5.460 387 HB VAL 77 HB VAL 77 7.433 3.907 -8.255 388 HG11 VAL 77 HG11 VAL 77 5.037 4.570 -8.525 389 HG12 VAL 77 HG12 VAL 77 4.675 3.651 -7.064 390 HG13 VAL 77 HG13 VAL 77 5.307 2.827 -8.490 391 HG21 VAL 77 HG21 VAL 77 6.633 6.100 -7.528 392 HG22 VAL 77 HG22 VAL 77 7.915 5.508 -6.472 393 HG23 VAL 77 HG23 VAL 77 6.234 5.433 -5.946 394 H ARG 78 HN ARG 78 8.193 1.684 -8.353 395 HA ARG 78 HA ARG 78 6.160 -0.232 -8.890 396 HB2 ARG 78 HB2 ARG 78 7.853 0.623 -10.539 397 HB3 ARG 78 HB3 ARG 78 9.074 -0.338 -9.716 398 HG2 ARG 78 HG2 ARG 78 7.777 -2.371 -10.225 399 HG3 ARG 78 HG3 ARG 78 6.619 -1.379 -11.113 400 HD2 ARG 78 HD2 ARG 78 8.500 -0.615 -12.561 401 HD3 ARG 78 HD3 ARG 78 9.537 -1.784 -11.743 402 HE ARG 78 HE ARG 78 7.549 -3.351 -12.580 403 HH11 ARG 78 HH11 ARG 78 9.362 -0.885 -14.284 404 HH12 ARG 78 HH12 ARG 78 9.180 -1.647 -15.827 405 HH21 ARG 78 HH21 ARG 78 7.313 -4.347 -14.615 406 HH22 ARG 78 HH22 ARG 78 8.019 -3.612 -16.016 407 H ASP 79 HN ASP 79 9.316 -0.511 -7.214 408 HA ASP 79 HA ASP 79 9.172 -3.269 -6.789 409 HB2 ASP 79 HB2 ASP 79 11.238 -1.985 -6.399 410 HB3 ASP 79 HB3 ASP 79 10.496 -1.186 -5.015 411 H TRP 80 HN TRP 80 7.941 -0.572 -4.825 412 HA TRP 80 HA TRP 80 7.049 -2.162 -2.682 413 HB2 TRP 80 HB2 TRP 80 7.122 0.130 -2.166 414 HB3 TRP 80 HB3 TRP 80 6.294 0.587 -3.651 415 HD1 TRP 80 HD1 TRP 80 5.459 -1.175 -0.292 416 HE1 TRP 80 HE1 TRP 80 3.011 -0.638 0.289 417 HE3 TRP 80 HE3 TRP 80 4.197 1.468 -4.478 418 HZ2 TRP 80 HZ2 TRP 80 0.831 0.723 -0.878 419 HZ3 TRP 80 HZ3 TRP 80 1.910 2.354 -4.668 420 HH2 TRP 80 HH2 TRP 80 0.265 1.988 -2.904 421 H VAL 81 HN VAL 81 5.091 -0.644 -5.267 422 HA VAL 81 HA VAL 81 2.727 -1.894 -5.047 423 HB VAL 81 HB VAL 81 4.282 -1.363 -7.583 424 HG11 VAL 81 HG11 VAL 81 2.086 -1.572 -8.763 425 HG12 VAL 81 HG12 VAL 81 1.441 -2.325 -7.305 426 HG13 VAL 81 HG13 VAL 81 2.760 -3.094 -8.186 427 HG21 VAL 81 HG21 VAL 81 2.741 0.522 -7.807 428 HG22 VAL 81 HG22 VAL 81 3.642 0.598 -6.294 429 HG23 VAL 81 HG23 VAL 81 1.963 0.065 -6.293 430 H MET 82 HN MET 82 5.481 -3.287 -6.840 431 HA MET 82 HA MET 82 4.374 -5.762 -7.461 432 HB2 MET 82 HB2 MET 82 6.563 -4.753 -8.275 433 HB3 MET 82 HB3 MET 82 7.278 -5.315 -6.771 434 HG2 MET 82 HG2 MET 82 6.859 -7.592 -7.338 435 HG3 MET 82 HG3 MET 82 5.902 -7.122 -8.742 436 HE1 MET 82 HE1 MET 82 6.970 -5.890 -10.896 437 HE2 MET 82 HE2 MET 82 8.684 -5.489 -11.018 438 HE3 MET 82 HE3 MET 82 7.670 -4.679 -9.823 439 H TRP 83 HN TRP 83 6.271 -4.785 -4.625 440 HA TRP 83 HA TRP 83 6.395 -7.229 -3.299 441 HB2 TRP 83 HB2 TRP 83 7.746 -5.427 -2.522 442 HB3 TRP 83 HB3 TRP 83 6.352 -4.382 -2.288 443 HD1 TRP 83 HD1 TRP 83 8.327 -7.167 -0.604 444 HE1 TRP 83 HE1 TRP 83 7.559 -7.369 1.843 445 HE3 TRP 83 HE3 TRP 83 4.296 -4.025 -0.754 446 HZ2 TRP 83 HZ2 TRP 83 5.515 -6.334 3.489 447 HZ3 TRP 83 HZ3 TRP 83 2.989 -3.685 1.302 448 HH2 TRP 83 HH2 TRP 83 3.586 -4.818 3.380 449 H ALA 84 HN ALA 84 3.801 -4.829 -3.400 450 HA ALA 84 HA ALA 84 2.229 -6.103 -1.357 451 HB1 ALA 84 HB1 ALA 84 0.492 -4.509 -1.955 452 HB2 ALA 84 HB2 ALA 84 1.384 -4.045 -3.405 453 HB3 ALA 84 HB3 ALA 84 2.047 -3.691 -1.809 454 H VAL 85 HN VAL 85 2.712 -6.598 -4.727 455 HA VAL 85 HA VAL 85 0.182 -7.870 -5.249 456 HB VAL 85 HB VAL 85 2.737 -7.879 -6.870 457 HG11 VAL 85 HG11 VAL 85 -0.035 -8.832 -7.578 458 HG12 VAL 85 HG12 VAL 85 1.418 -9.820 -7.427 459 HG13 VAL 85 HG13 VAL 85 1.289 -8.636 -8.728 460 HG21 VAL 85 HG21 VAL 85 1.868 -5.662 -6.754 461 HG22 VAL 85 HG22 VAL 85 0.224 -6.225 -7.047 462 HG23 VAL 85 HG23 VAL 85 1.432 -6.314 -8.331 463 H ASN 86 HN ASN 86 3.443 -8.857 -4.358 464 HA ASN 86 HA ASN 86 2.867 -11.677 -4.632 465 HB2 ASN 86 HB2 ASN 86 5.258 -10.215 -3.491 466 HB3 ASN 86 HB3 ASN 86 5.152 -11.964 -3.661 467 HD21 ASN 86 HD21 ASN 86 5.160 -12.877 -5.741 468 HD22 ASN 86 HD22 ASN 86 5.743 -11.997 -7.109 469 H GLU 87 HN GLU 87 3.128 -9.311 -2.017 470 HA GLU 87 HA GLU 87 2.961 -11.189 0.116 471 HB2 GLU 87 HB2 GLU 87 2.393 -8.222 0.024 472 HB3 GLU 87 HB3 GLU 87 2.415 -9.174 1.501 473 HG2 GLU 87 HG2 GLU 87 4.785 -9.095 -0.325 474 HG3 GLU 87 HG3 GLU 87 4.501 -7.830 0.869 475 H PHE 88 HN PHE 88 0.574 -9.357 -1.729 476 HA PHE 88 HA PHE 88 -1.573 -10.597 -0.144 477 HB2 PHE 88 HB2 PHE 88 -1.596 -8.122 -1.871 478 HB3 PHE 88 HB3 PHE 88 -3.024 -8.808 -1.106 479 HD1 PHE 88 HD1 PHE 88 0.125 -7.023 -0.546 480 HD2 PHE 88 HD2 PHE 88 -3.396 -8.593 1.257 481 HE1 PHE 88 HE1 PHE 88 0.587 -5.715 1.485 482 HE2 PHE 88 HE2 PHE 88 -2.940 -7.288 3.291 483 HZ PHE 88 HZ PHE 88 -0.947 -5.845 3.406 484 H SER 89 HN SER 89 0.047 -11.413 -2.789 485 HA SER 89 HA SER 89 -0.403 -12.336 -4.839 486 HB2 SER 89 HB2 SER 89 -1.041 -14.112 -3.216 487 HB3 SER 89 HB3 SER 89 -2.704 -13.527 -3.266 488 HG SER 89 HG SER 89 -2.933 -14.751 -4.947 489 H LEU 90 HN LEU 90 -1.077 -9.965 -5.339 490 HA LEU 90 HA LEU 90 -3.898 -9.683 -5.910 491 HB2 LEU 90 HB2 LEU 90 -1.656 -7.733 -6.418 492 HB3 LEU 90 HB3 LEU 90 -3.372 -7.379 -6.477 493 HG LEU 90 HG LEU 90 -1.812 -8.147 -4.009 494 HD11 LEU 90 HD11 LEU 90 -1.343 -5.879 -4.829 495 HD12 LEU 90 HD12 LEU 90 -2.198 -5.872 -3.286 496 HD13 LEU 90 HD13 LEU 90 -3.068 -5.518 -4.778 497 HD21 LEU 90 HD21 LEU 90 -3.836 -7.779 -2.774 498 HD22 LEU 90 HD22 LEU 90 -4.157 -8.968 -4.035 499 HD23 LEU 90 HD23 LEU 90 -4.696 -7.301 -4.237 500 H LYS 91 HN LYS 91 -4.720 -9.133 -8.006 501 HA LYS 91 HA LYS 91 -2.973 -9.809 -10.267 502 HB2 LYS 91 HB2 LYS 91 -5.746 -10.938 -9.842 503 HB3 LYS 91 HB3 LYS 91 -4.768 -11.157 -11.286 504 HG2 LYS 91 HG2 LYS 91 -4.326 -13.114 -10.224 505 HG3 LYS 91 HG3 LYS 91 -3.034 -12.121 -9.549 506 HD2 LYS 91 HD2 LYS 91 -4.430 -11.668 -7.579 507 HD3 LYS 91 HD3 LYS 91 -5.704 -12.683 -8.256 508 HE2 LYS 91 HE2 LYS 91 -2.919 -13.596 -7.529 509 HE3 LYS 91 HE3 LYS 91 -4.372 -13.875 -6.572 510 HZ1 LYS 91 HZ1 LYS 91 -3.811 -14.938 -9.288 511 HZ2 LYS 91 HZ2 LYS 91 -5.286 -15.117 -8.481 512 HZ3 LYS 91 HZ3 LYS 91 -3.886 -15.823 -7.847 513 H GLY 92 HN GLY 92 -3.591 -8.934 -12.275 514 HA2 GLY 92 HA2 GLY 92 -4.850 -7.578 -13.721 515 HA3 GLY 92 HA1 GLY 92 -5.873 -7.126 -12.370 516 H VAL 93 HN VAL 93 -2.988 -6.630 -11.039 517 HA VAL 93 HA VAL 93 -3.079 -3.801 -11.543 518 HB VAL 93 HB VAL 93 -2.643 -4.687 -9.275 519 HG11 VAL 93 HG11 VAL 93 -1.264 -6.611 -9.927 520 HG12 VAL 93 HG12 VAL 93 -0.482 -5.613 -8.703 521 HG13 VAL 93 HG13 VAL 93 0.037 -5.510 -10.384 522 HG21 VAL 93 HG21 VAL 93 -1.976 -2.417 -9.825 523 HG22 VAL 93 HG22 VAL 93 -0.422 -2.997 -10.425 524 HG23 VAL 93 HG23 VAL 93 -0.818 -3.144 -8.713 525 H ASP 94 HN ASP 94 -1.631 -2.558 -12.629 526 HA ASP 94 HA ASP 94 0.451 -3.990 -14.145 527 HB2 ASP 94 HB2 ASP 94 -1.215 -1.600 -14.953 528 HB3 ASP 94 HB3 ASP 94 0.130 -2.239 -15.890 529 H PHE 95 HN PHE 95 2.461 -3.057 -14.365 530 HA PHE 95 HA PHE 95 3.119 -1.027 -12.368 531 HB2 PHE 95 HB2 PHE 95 4.921 -2.695 -14.151 532 HB3 PHE 95 HB3 PHE 95 5.470 -1.605 -12.883 533 HD1 PHE 95 HD2 PHE 95 4.621 -2.083 -10.495 534 HD2 PHE 95 HD1 PHE 95 4.494 -4.920 -13.665 535 HE1 PHE 95 HE2 PHE 95 4.449 -3.905 -8.854 536 HE2 PHE 95 HE1 PHE 95 4.319 -6.747 -12.028 537 HZ PHE 95 HZ PHE 95 4.296 -6.241 -9.618 538 H GLN 96 HN GLN 96 2.583 -1.244 -15.761 539 HA GLN 96 HA GLN 96 4.194 0.869 -16.686 540 HB2 GLN 96 HB2 GLN 96 1.496 -0.072 -17.686 541 HB3 GLN 96 HB3 GLN 96 2.571 1.011 -18.560 542 HG2 GLN 96 HG2 GLN 96 4.245 -0.730 -18.722 543 HG3 GLN 96 HG3 GLN 96 3.238 -1.818 -17.768 544 HE21 GLN 96 HE21 GLN 96 3.104 -3.362 -19.378 545 HE22 GLN 96 HE22 GLN 96 2.190 -3.124 -20.825 546 H LYS 97 HN LYS 97 1.026 0.788 -15.161 547 HA LYS 97 HA LYS 97 0.350 3.533 -15.531 548 HB2 LYS 97 HB2 LYS 97 -0.616 1.340 -13.717 549 HB3 LYS 97 HB3 LYS 97 -1.185 2.990 -13.519 550 HG2 LYS 97 HG2 LYS 97 -2.754 1.731 -14.842 551 HG3 LYS 97 HG3 LYS 97 -1.998 2.974 -15.837 552 HD2 LYS 97 HD2 LYS 97 -0.520 1.331 -16.826 553 HD3 LYS 97 HD3 LYS 97 -1.158 0.078 -15.761 554 HE2 LYS 97 HE2 LYS 97 -3.366 0.337 -16.785 555 HE3 LYS 97 HE3 LYS 97 -2.725 1.590 -17.847 556 HZ1 LYS 97 HZ1 LYS 97 -1.227 -0.048 -18.811 557 HZ2 LYS 97 HZ2 LYS 97 -2.836 -0.542 -18.970 558 HZ3 LYS 97 HZ3 LYS 97 -1.849 -1.250 -17.793 559 H PHE 98 HN PHE 98 2.134 1.745 -13.063 560 HA PHE 98 HA PHE 98 2.426 4.188 -11.467 561 HB2 PHE 98 HB2 PHE 98 3.154 1.325 -10.812 562 HB3 PHE 98 HB3 PHE 98 3.339 2.695 -9.723 563 HD1 PHE 98 HD1 PHE 98 1.005 4.163 -9.686 564 HD2 PHE 98 HD2 PHE 98 1.388 -0.031 -10.293 565 HE1 PHE 98 HE1 PHE 98 -1.295 3.841 -8.880 566 HE2 PHE 98 HE2 PHE 98 -0.912 -0.361 -9.490 567 HZ PHE 98 HZ PHE 98 -2.256 1.579 -8.780 568 H CYS 99 HN CYS 99 3.819 3.919 -14.007 569 HA CYS 99 HA CYS 99 6.589 3.403 -13.307 570 HB2 CYS 99 HB2 CYS 99 5.657 2.740 -15.528 571 HB3 CYS 99 HB3 CYS 99 5.436 4.444 -15.909 572 HG CYS 99 HG CYS 99 8.455 2.929 -15.341 573 H MET 100 HN MET 100 6.223 5.179 -11.614 574 HA MET 100 HA MET 100 7.535 7.577 -12.564 575 HB2 MET 100 HB2 MET 100 5.876 9.152 -11.890 576 HB3 MET 100 HB3 MET 100 5.047 7.973 -12.895 577 HG2 MET 100 HG2 MET 100 4.388 6.822 -10.722 578 HG3 MET 100 HG3 MET 100 4.932 8.289 -9.914 579 HE1 MET 100 HE1 MET 100 2.230 6.566 -12.052 580 HE2 MET 100 HE2 MET 100 2.950 7.595 -13.292 581 HE3 MET 100 HE3 MET 100 1.308 7.910 -12.726 582 H SER 101 HN SER 101 7.937 9.102 -10.657 583 HA SER 101 HA SER 101 9.058 7.540 -8.511 584 HB2 SER 101 HB2 SER 101 8.936 10.546 -8.939 585 HB3 SER 101 HB3 SER 101 9.848 9.748 -7.659 586 HG SER 101 HG SER 101 11.282 9.051 -9.087 587 H GLY 102 HN GLY 102 8.726 8.086 -6.223 588 HA2 GLY 102 HA2 GLY 102 6.089 7.704 -5.417 589 HA3 GLY 102 HA1 GLY 102 7.393 8.228 -4.365 590 H ALA 103 HN ALA 103 7.982 10.728 -5.477 591 HA ALA 103 HA ALA 103 6.199 12.424 -4.211 592 HB1 ALA 103 HB1 ALA 103 7.979 13.051 -6.568 593 HB2 ALA 103 HB2 ALA 103 8.442 13.108 -4.867 594 HB3 ALA 103 HB3 ALA 103 7.241 14.238 -5.492 595 H ALA 104 HN ALA 104 6.215 11.320 -7.577 596 HA ALA 104 HA ALA 104 4.049 12.985 -8.427 597 HB1 ALA 104 HB1 ALA 104 4.054 11.626 -10.444 598 HB2 ALA 104 HB2 ALA 104 5.097 10.436 -9.667 599 HB3 ALA 104 HB3 ALA 104 5.703 12.060 -9.995 600 H LEU 105 HN LEU 105 4.344 9.594 -7.414 601 HA LEU 105 HA LEU 105 1.715 8.760 -7.829 602 HB2 LEU 105 HB2 LEU 105 3.820 7.419 -7.180 603 HB3 LEU 105 HB3 LEU 105 3.400 7.821 -5.525 604 HG LEU 105 HG LEU 105 1.164 6.740 -5.925 605 HD11 LEU 105 HD11 LEU 105 1.146 6.859 -8.357 606 HD12 LEU 105 HD12 LEU 105 0.985 5.192 -7.810 607 HD13 LEU 105 HD13 LEU 105 2.530 5.769 -8.432 608 HD21 LEU 105 HD21 LEU 105 3.574 4.963 -6.281 609 HD22 LEU 105 HD22 LEU 105 2.010 4.495 -5.617 610 HD23 LEU 105 HD23 LEU 105 3.032 5.637 -4.745 611 H CYS 106 HN CYS 106 3.184 10.194 -4.908 612 HA CYS 106 HA CYS 106 0.848 10.102 -3.326 613 HB2 CYS 106 HB2 CYS 106 3.041 10.435 -2.319 614 HB3 CYS 106 HB3 CYS 106 3.232 11.965 -3.170 615 HG CYS 106 HG CYS 106 2.747 12.487 -0.466 616 H ALA 107 HN ALA 107 2.122 12.518 -5.557 617 HA ALA 107 HA ALA 107 0.252 14.569 -5.003 618 HB1 ALA 107 HB1 ALA 107 2.372 14.958 -6.175 619 HB2 ALA 107 HB2 ALA 107 0.991 15.572 -7.084 620 HB3 ALA 107 HB3 ALA 107 1.760 14.059 -7.564 621 H LEU 108 HN LEU 108 0.065 11.685 -6.963 622 HA LEU 108 HA LEU 108 -2.057 12.422 -8.657 623 HB2 LEU 108 HB2 LEU 108 -1.094 9.750 -7.674 624 HB3 LEU 108 HB3 LEU 108 -2.436 9.905 -8.786 625 HG LEU 108 HG LEU 108 0.384 10.843 -9.313 626 HD11 LEU 108 HD11 LEU 108 0.272 8.437 -9.302 627 HD12 LEU 108 HD12 LEU 108 0.397 9.007 -10.967 628 HD13 LEU 108 HD13 LEU 108 -1.157 8.464 -10.334 629 HD21 LEU 108 HD21 LEU 108 -2.060 10.806 -11.081 630 HD22 LEU 108 HD22 LEU 108 -0.421 11.176 -11.617 631 HD23 LEU 108 HD23 LEU 108 -1.231 12.235 -10.463 632 H GLY 109 HN GLY 109 -2.031 11.145 -5.366 633 HA2 GLY 109 HA2 GLY 109 -3.723 11.169 -3.794 634 HA3 GLY 109 HA1 GLY 109 -4.767 11.926 -4.987 635 H LYS 110 HN LYS 110 -6.017 10.194 -3.476 636 HA LYS 110 HA LYS 110 -5.907 7.475 -4.125 637 HB2 LYS 110 HB2 LYS 110 -7.130 8.302 -2.184 638 HB3 LYS 110 HB3 LYS 110 -8.281 9.120 -3.231 639 HG2 LYS 110 HG2 LYS 110 -9.061 6.992 -4.087 640 HG3 LYS 110 HG3 LYS 110 -7.863 6.138 -3.117 641 HD2 LYS 110 HD2 LYS 110 -9.919 5.987 -1.944 642 HD3 LYS 110 HD3 LYS 110 -8.935 7.172 -1.085 643 HE2 LYS 110 HE2 LYS 110 -11.184 8.000 -1.260 644 HE3 LYS 110 HE3 LYS 110 -10.134 8.974 -2.285 645 HZ1 LYS 110 HZ1 LYS 110 -11.849 6.748 -3.251 646 HZ2 LYS 110 HZ2 LYS 110 -10.913 7.783 -4.209 647 HZ3 LYS 110 HZ3 LYS 110 -12.245 8.390 -3.361 648 H GLU 111 HN GLU 111 -7.828 10.085 -5.579 649 HA GLU 111 HA GLU 111 -9.427 8.597 -7.305 650 HB2 GLU 111 HB2 GLU 111 -8.280 11.374 -7.492 651 HB3 GLU 111 HB3 GLU 111 -9.292 10.718 -8.770 652 HG2 GLU 111 HG2 GLU 111 -10.658 12.026 -7.332 653 HG3 GLU 111 HG3 GLU 111 -11.070 10.330 -7.087 654 H CYS 112 HN CYS 112 -6.468 10.331 -8.335 655 HA CYS 112 HA CYS 112 -6.294 9.084 -10.827 656 HB2 CYS 112 HB2 CYS 112 -4.137 10.355 -9.141 657 HB3 CYS 112 HB3 CYS 112 -3.912 9.862 -10.814 658 HG CYS 112 HG CYS 112 -6.568 11.710 -10.792 659 H PHE 113 HN PHE 113 -4.875 8.141 -7.707 660 HA PHE 113 HA PHE 113 -3.207 6.101 -8.703 661 HB2 PHE 113 HB2 PHE 113 -3.058 7.130 -6.421 662 HB3 PHE 113 HB3 PHE 113 -4.494 6.215 -5.969 663 HD1 PHE 113 HD1 PHE 113 -0.966 5.953 -6.971 664 HD2 PHE 113 HD2 PHE 113 -4.369 3.908 -5.448 665 HE1 PHE 113 HE1 PHE 113 0.453 4.031 -6.390 666 HE2 PHE 113 HE2 PHE 113 -2.954 1.983 -4.862 667 HZ PHE 113 HZ PHE 113 -0.537 2.047 -5.336 668 H LEU 114 HN LEU 114 -6.530 6.006 -7.416 669 HA LEU 114 HA LEU 114 -6.874 3.221 -7.636 670 HB2 LEU 114 HB2 LEU 114 -8.812 5.516 -7.548 671 HB3 LEU 114 HB3 LEU 114 -9.367 3.861 -7.723 672 HG LEU 114 HG LEU 114 -7.735 4.906 -5.405 673 HD11 LEU 114 HD11 LEU 114 -9.796 4.675 -4.116 674 HD12 LEU 114 HD12 LEU 114 -10.665 4.219 -5.581 675 HD13 LEU 114 HD13 LEU 114 -9.986 5.839 -5.426 676 HD21 LEU 114 HD21 LEU 114 -8.301 2.749 -4.366 677 HD22 LEU 114 HD22 LEU 114 -7.316 2.555 -5.816 678 HD23 LEU 114 HD23 LEU 114 -9.049 2.232 -5.878 679 H GLU 115 HN GLU 115 -7.046 5.767 -10.006 680 HA GLU 115 HA GLU 115 -8.435 4.236 -11.993 681 HB2 GLU 115 HB2 GLU 115 -6.754 6.740 -12.201 682 HB3 GLU 115 HB3 GLU 115 -7.642 6.037 -13.545 683 HG2 GLU 115 HG2 GLU 115 -8.852 7.065 -10.988 684 HG3 GLU 115 HG3 GLU 115 -8.838 7.907 -12.536 685 H LEU 116 HN LEU 116 -5.159 4.441 -10.906 686 HA LEU 116 HA LEU 116 -3.990 3.358 -13.317 687 HB2 LEU 116 HB2 LEU 116 -2.849 3.846 -10.567 688 HB3 LEU 116 HB3 LEU 116 -1.916 3.262 -11.929 689 HG LEU 116 HG LEU 116 -3.324 5.930 -11.815 690 HD11 LEU 116 HD11 LEU 116 -1.051 6.860 -11.653 691 HD12 LEU 116 HD12 LEU 116 -0.411 5.224 -11.492 692 HD13 LEU 116 HD13 LEU 116 -1.482 5.880 -10.253 693 HD21 LEU 116 HD21 LEU 116 -2.069 6.432 -13.844 694 HD22 LEU 116 HD22 LEU 116 -3.122 5.037 -14.083 695 HD23 LEU 116 HD23 LEU 116 -1.391 4.804 -13.839 696 H ALA 117 HN ALA 117 -4.985 2.169 -10.149 697 HA ALA 117 HA ALA 117 -4.152 -0.550 -10.933 698 HB1 ALA 117 HB1 ALA 117 -3.104 0.045 -8.891 699 HB2 ALA 117 HB2 ALA 117 -4.398 -1.083 -8.489 700 HB3 ALA 117 HB3 ALA 117 -4.615 0.645 -8.211 701 HA PRO 118 HA PRO 118 -8.195 -2.229 -11.412 702 HB2 PRO 118 HB2 PRO 118 -7.484 -4.125 -9.224 703 HB3 PRO 118 HB3 PRO 118 -8.137 -4.453 -10.832 704 HG2 PRO 118 HG2 PRO 118 -5.558 -4.861 -10.260 705 HG3 PRO 118 HG3 PRO 118 -6.080 -4.282 -11.850 706 HD2 PRO 118 HD2 PRO 118 -4.717 -2.820 -9.661 707 HD3 PRO 118 HD3 PRO 118 -4.681 -2.533 -11.408 708 H ASP 119 HN ASP 119 -10.180 -2.800 -10.260 709 HA ASP 119 HA ASP 119 -10.977 -0.831 -8.420 710 HB2 ASP 119 HB2 ASP 119 -12.544 -1.791 -9.977 711 HB3 ASP 119 HB3 ASP 119 -12.312 -3.388 -9.276 712 H PHE 120 HN PHE 120 -9.577 -3.950 -7.873 713 HA PHE 120 HA PHE 120 -10.484 -3.783 -5.103 714 HB2 PHE 120 HB2 PHE 120 -9.466 -6.264 -6.501 715 HB3 PHE 120 HB3 PHE 120 -10.105 -6.197 -4.861 716 HD1 PHE 120 HD1 PHE 120 -12.507 -5.748 -4.489 717 HD2 PHE 120 HD2 PHE 120 -10.902 -6.334 -8.387 718 HE1 PHE 120 HE1 PHE 120 -14.773 -6.150 -5.357 719 HE2 PHE 120 HE2 PHE 120 -13.165 -6.737 -9.263 720 HZ PHE 120 HZ PHE 120 -15.105 -6.644 -7.748 721 H VAL 121 HN VAL 121 -7.600 -4.891 -6.900 722 HA VAL 121 HA VAL 121 -5.860 -4.929 -4.699 723 HB VAL 121 HB VAL 121 -4.042 -5.052 -6.229 724 HG11 VAL 121 HG11 VAL 121 -6.436 -6.355 -7.518 725 HG12 VAL 121 HG12 VAL 121 -5.509 -7.012 -6.171 726 HG13 VAL 121 HG13 VAL 121 -4.750 -6.812 -7.751 727 HG21 VAL 121 HG21 VAL 121 -4.401 -4.624 -8.676 728 HG22 VAL 121 HG22 VAL 121 -4.404 -3.194 -7.643 729 HG23 VAL 121 HG23 VAL 121 -5.926 -3.856 -8.236 730 H GLY 122 HN GLY 122 -6.833 -2.284 -6.813 731 HA2 GLY 122 HA2 GLY 122 -4.867 -0.403 -6.259 732 HA3 GLY 122 HA1 GLY 122 -6.534 -0.018 -6.648 733 H ASP 123 HN ASP 123 -7.620 -1.355 -4.276 734 HA ASP 123 HA ASP 123 -7.589 0.814 -2.484 735 HB2 ASP 123 HB2 ASP 123 -9.451 -0.816 -2.669 736 HB3 ASP 123 HB3 ASP 123 -8.426 -2.039 -1.923 737 H ILE 124 HN ILE 124 -6.031 -2.387 -2.270 738 HA ILE 124 HA ILE 124 -4.882 -2.153 0.246 739 HB ILE 124 HB ILE 124 -3.687 -3.545 -2.153 740 HG12 ILE 124 HG12 ILE 124 -5.468 -4.663 0.021 741 HG13 ILE 124 HG13 ILE 124 -6.016 -4.245 -1.600 742 HG21 ILE 124 HG21 ILE 124 -2.553 -4.954 -0.482 743 HG22 ILE 124 HG22 ILE 124 -3.186 -3.915 0.796 744 HG23 ILE 124 HG23 ILE 124 -2.056 -3.264 -0.391 745 HD11 ILE 124 HD11 ILE 124 -4.426 -5.888 -2.514 746 HD12 ILE 124 HD12 ILE 124 -5.647 -6.607 -1.462 747 HD13 ILE 124 HD13 ILE 124 -4.005 -6.353 -0.866 748 H LEU 125 HN LEU 125 -3.361 -1.415 -2.890 749 HA LEU 125 HA LEU 125 -0.927 -0.462 -1.930 750 HB2 LEU 125 HB2 LEU 125 -2.516 0.065 -4.421 751 HB3 LEU 125 HB3 LEU 125 -1.087 1.023 -4.100 752 HG LEU 125 HG LEU 125 0.301 -0.971 -4.089 753 HD11 LEU 125 HD11 LEU 125 -2.265 -2.462 -4.612 754 HD12 LEU 125 HD12 LEU 125 -1.262 -2.569 -3.166 755 HD13 LEU 125 HD13 LEU 125 -0.646 -3.154 -4.711 756 HD21 LEU 125 HD21 LEU 125 -1.524 -0.815 -6.484 757 HD22 LEU 125 HD22 LEU 125 0.051 -1.604 -6.449 758 HD23 LEU 125 HD23 LEU 125 -0.066 0.139 -6.213 759 H TRP 126 HN TRP 126 -3.735 1.590 -2.899 760 HA TRP 126 HA TRP 126 -2.624 4.000 -1.897 761 HB2 TRP 126 HB2 TRP 126 -4.432 4.439 -3.285 762 HB3 TRP 126 HB3 TRP 126 -5.377 3.078 -2.691 763 HD1 TRP 126 HD1 TRP 126 -4.629 6.750 -1.956 764 HE1 TRP 126 HE1 TRP 126 -6.355 7.626 -0.259 765 HE3 TRP 126 HE3 TRP 126 -6.916 2.337 -0.781 766 HZ2 TRP 126 HZ2 TRP 126 -8.413 6.579 1.368 767 HZ3 TRP 126 HZ3 TRP 126 -8.749 2.356 0.857 768 HH2 TRP 126 HH2 TRP 126 -9.482 4.433 1.909 769 H GLU 127 HN GLU 127 -4.350 1.412 -0.231 770 HA GLU 127 HA GLU 127 -5.044 2.807 2.108 771 HB2 GLU 127 HB2 GLU 127 -5.745 0.463 1.491 772 HB3 GLU 127 HB3 GLU 127 -4.141 -0.083 1.955 773 HG2 GLU 127 HG2 GLU 127 -4.517 0.670 4.230 774 HG3 GLU 127 HG3 GLU 127 -6.105 1.290 3.775 775 H HIS 128 HN HIS 128 -2.146 0.776 1.509 776 HA HIS 128 HA HIS 128 -0.825 1.675 3.879 777 HB2 HIS 128 HB2 HIS 128 -0.417 -0.552 2.886 778 HB3 HIS 128 HB3 HIS 128 0.310 0.221 1.483 779 HD1 HIS 128 HD1 HIS 128 2.403 -1.320 2.225 780 HD2 HIS 128 HD2 HIS 128 1.484 1.875 4.719 781 HE1 HIS 128 HE1 HIS 128 4.454 -0.950 3.630 782 HE2 HIS 128 HE2 HIS 128 3.825 0.900 5.218 783 H LEU 129 HN LEU 129 -0.612 2.485 0.443 784 HA LEU 129 HA LEU 129 1.662 4.064 0.433 785 HB2 LEU 129 HB2 LEU 129 0.385 3.394 -1.577 786 HB3 LEU 129 HB3 LEU 129 -0.869 4.537 -1.141 787 HG LEU 129 HG LEU 129 0.788 6.382 -1.377 788 HD11 LEU 129 HD11 LEU 129 2.889 5.936 -2.538 789 HD12 LEU 129 HD12 LEU 129 2.557 4.205 -2.483 790 HD13 LEU 129 HD13 LEU 129 2.822 5.100 -0.987 791 HD21 LEU 129 HD21 LEU 129 0.809 6.370 -3.811 792 HD22 LEU 129 HD22 LEU 129 -0.744 5.808 -3.190 793 HD23 LEU 129 HD23 LEU 129 0.428 4.648 -3.816 794 H GLU 130 HN GLU 130 -1.690 5.030 1.157 795 HA GLU 130 HA GLU 130 -1.047 7.740 1.605 796 HB2 GLU 130 HB2 GLU 130 -3.338 6.842 1.055 797 HB3 GLU 130 HB3 GLU 130 -3.431 6.269 2.714 798 HG2 GLU 130 HG2 GLU 130 -3.229 8.556 3.524 799 HG3 GLU 130 HG3 GLU 130 -3.108 9.139 1.866 800 H ILE 131 HN ILE 131 -1.228 4.899 3.646 801 HA ILE 131 HA ILE 131 -1.038 6.141 6.162 802 HB ILE 131 HB ILE 131 -0.218 3.403 5.201 803 HG12 ILE 131 HG12 ILE 131 -2.411 4.225 7.109 804 HG13 ILE 131 HG13 ILE 131 -2.655 4.064 5.375 805 HG21 ILE 131 HG21 ILE 131 -0.132 4.433 8.034 806 HG22 ILE 131 HG22 ILE 131 1.256 3.988 7.043 807 HG23 ILE 131 HG23 ILE 131 0.099 2.756 7.539 808 HD11 ILE 131 HD11 ILE 131 -2.002 1.702 5.526 809 HD12 ILE 131 HD12 ILE 131 -3.408 2.082 6.519 810 HD13 ILE 131 HD13 ILE 131 -1.827 1.881 7.272 811 H LEU 132 HN LEU 132 1.452 4.998 3.900 812 HA LEU 132 HA LEU 132 3.746 5.389 5.396 813 HB2 LEU 132 HB2 LEU 132 3.241 5.789 2.454 814 HB3 LEU 132 HB3 LEU 132 4.840 5.898 3.164 815 HG LEU 132 HG LEU 132 3.115 3.432 3.369 816 HD11 LEU 132 HD11 LEU 132 5.281 4.066 1.369 817 HD12 LEU 132 HD12 LEU 132 3.562 3.879 1.022 818 HD13 LEU 132 HD13 LEU 132 4.504 2.496 1.581 819 HD21 LEU 132 HD21 LEU 132 5.234 2.348 3.927 820 HD22 LEU 132 HD22 LEU 132 4.856 3.639 5.063 821 HD23 LEU 132 HD23 LEU 132 6.063 3.899 3.805 822 H GLN 133 HN GLN 133 1.843 7.743 3.577 823 HA GLN 133 HA GLN 133 3.539 9.955 3.805 824 HB2 GLN 133 HB2 GLN 133 0.519 9.985 3.743 825 HB3 GLN 133 HB3 GLN 133 1.588 11.307 3.300 826 HG2 GLN 133 HG2 GLN 133 2.374 10.122 1.383 827 HG3 GLN 133 HG3 GLN 133 1.519 8.660 1.875 828 HE21 GLN 133 HE21 GLN 133 0.360 8.548 -0.037 829 HE22 GLN 133 HE22 GLN 133 -0.924 9.643 -0.406 830 H LYS 134 HN LYS 134 0.900 8.843 5.910 831 HA LYS 134 HA LYS 134 1.139 10.969 7.781 832 HB2 LYS 134 HB2 LYS 134 -0.093 8.228 8.115 833 HB3 LYS 134 HB3 LYS 134 -0.307 9.581 9.219 834 HG2 LYS 134 HG2 LYS 134 -1.407 10.857 7.456 835 HG3 LYS 134 HG3 LYS 134 -1.178 9.512 6.337 836 HD2 LYS 134 HD2 LYS 134 -2.581 8.089 7.711 837 HD3 LYS 134 HD3 LYS 134 -2.744 9.369 8.914 838 HE2 LYS 134 HE2 LYS 134 -4.735 9.322 7.579 839 HE3 LYS 134 HE3 LYS 134 -3.830 10.782 7.180 840 HZ1 LYS 134 HZ1 LYS 134 -4.715 9.617 5.220 841 HZ2 LYS 134 HZ2 LYS 134 -3.758 8.274 5.591 842 HZ3 LYS 134 HZ3 LYS 134 -3.029 9.746 5.187 843 H GLU 135 HN GLU 135 2.470 7.685 7.648 844 HA GLU 135 HA GLU 135 3.533 7.485 10.200 845 HB2 GLU 135 HB2 GLU 135 4.570 6.407 7.578 846 HB3 GLU 135 HB3 GLU 135 5.268 5.981 9.134 847 HG2 GLU 135 HG2 GLU 135 3.110 5.063 9.841 848 HG3 GLU 135 HG3 GLU 135 2.431 5.469 8.266 849 H ASP 136 HN ASP 136 4.908 9.038 7.335 850 HA ASP 136 HA ASP 136 6.631 10.630 9.048 851 HB2 ASP 136 HB2 ASP 136 7.762 8.404 8.071 852 HB3 ASP 136 HB3 ASP 136 7.998 9.453 6.678 853 H VAL 137 HN VAL 137 5.536 12.461 8.462 854 HA VAL 137 HA VAL 137 4.916 13.085 5.734 855 HB VAL 137 HB VAL 137 4.862 14.917 8.140 856 HG11 VAL 137 HG11 VAL 137 3.274 16.234 6.795 857 HG12 VAL 137 HG12 VAL 137 3.555 15.153 5.430 858 HG13 VAL 137 HG13 VAL 137 4.870 16.150 6.050 859 HG21 VAL 137 HG21 VAL 137 2.649 13.265 6.921 860 HG22 VAL 137 HG22 VAL 137 2.473 14.416 8.246 861 HG23 VAL 137 HG23 VAL 137 3.438 12.957 8.468 862 H LYS 138 HN LYS 138 6.811 13.117 4.558 863 HA LYS 138 HA LYS 138 8.264 15.569 4.579 864 HB2 LYS 138 HB2 LYS 138 9.376 14.297 6.441 865 HB3 LYS 138 HB3 LYS 138 9.863 13.094 5.255 866 HG2 LYS 138 HG2 LYS 138 11.300 14.597 4.160 867 HG3 LYS 138 HG3 LYS 138 10.596 15.991 4.981 868 HD2 LYS 138 HD2 LYS 138 12.707 15.545 6.001 869 HD3 LYS 138 HD3 LYS 138 11.453 15.044 7.136 870 HE2 LYS 138 HE2 LYS 138 11.727 12.713 6.326 871 HE3 LYS 138 HE3 LYS 138 13.066 13.260 5.318 872 HZ1 LYS 138 HZ1 LYS 138 13.856 12.314 7.390 873 HZ2 LYS 138 HZ2 LYS 138 12.949 13.428 8.282 874 HZ3 LYS 138 HZ3 LYS 138 14.233 13.962 7.319 Start of MODEL 4 1 H HIS 28 H1 HIS 28 -4.917 2.244 7.550 2 HA HIS 28 HA HIS 28 -5.698 4.108 8.847 3 HB2 HIS 28 HB2 HIS 28 -4.668 5.841 7.565 4 HB3 HIS 28 HB3 HIS 28 -3.850 4.343 7.137 5 HD1 HIS 28 HD1 HIS 28 -5.578 7.197 5.684 6 HD2 HIS 28 HD2 HIS 28 -4.729 3.294 4.540 7 HE1 HIS 28 HE1 HIS 28 -5.909 7.140 3.193 8 HE2 HIS 28 HE2 HIS 28 -5.276 4.801 2.509 9 H MET 29 HN MET 29 -6.751 6.315 8.609 10 HA MET 29 HA MET 29 -8.567 7.641 8.294 11 HB2 MET 29 HB2 MET 29 -8.227 7.184 5.878 12 HB3 MET 29 HB3 MET 29 -9.284 5.788 6.015 13 HG2 MET 29 HG2 MET 29 -11.142 7.227 6.624 14 HG3 MET 29 HG3 MET 29 -10.088 8.639 6.545 15 HE1 MET 29 HE1 MET 29 -11.936 9.747 4.902 16 HE2 MET 29 HE2 MET 29 -12.895 8.270 4.985 17 HE3 MET 29 HE3 MET 29 -12.489 8.971 3.419 18 H GLU 30 HN GLU 30 -10.506 7.781 9.286 19 HA GLU 30 HA GLU 30 -12.156 5.408 9.640 20 HB2 GLU 30 HB2 GLU 30 -12.274 5.745 12.103 21 HB3 GLU 30 HB3 GLU 30 -10.688 5.235 11.543 22 HG2 GLU 30 HG2 GLU 30 -9.997 7.647 11.612 23 HG3 GLU 30 HG3 GLU 30 -11.531 7.986 12.412 24 H CYS 31 HN CYS 31 -14.168 5.991 9.184 25 HA CYS 31 HA CYS 31 -14.941 8.799 9.397 26 HB2 CYS 31 HB2 CYS 31 -15.368 7.620 7.278 27 HB3 CYS 31 HB3 CYS 31 -16.395 6.470 8.126 28 HG CYS 31 HG CYS 31 -18.421 8.210 8.680 29 H ALA 32 HN ALA 32 -16.376 5.631 10.245 30 HA ALA 32 HA ALA 32 -18.427 6.696 11.861 31 HB1 ALA 32 HB1 ALA 32 -17.208 3.941 11.999 32 HB2 ALA 32 HB2 ALA 32 -18.487 4.436 10.890 33 HB3 ALA 32 HB3 ALA 32 -18.782 4.427 12.628 34 H ASP 33 HN ASP 33 -15.312 5.201 12.769 35 HA ASP 33 HA ASP 33 -15.680 5.979 15.540 36 HB2 ASP 33 HB2 ASP 33 -14.627 3.786 14.766 37 HB3 ASP 33 HB3 ASP 33 -13.213 4.736 14.323 38 H VAL 34 HN VAL 34 -14.424 7.453 16.668 39 HA VAL 34 HA VAL 34 -13.200 9.536 15.033 40 HB VAL 34 HB VAL 34 -14.859 10.179 16.752 41 HG11 VAL 34 HG11 VAL 34 -14.338 8.467 18.423 42 HG12 VAL 34 HG12 VAL 34 -14.294 10.087 19.118 43 HG13 VAL 34 HG13 VAL 34 -12.789 9.249 18.740 44 HG21 VAL 34 HG21 VAL 34 -12.078 11.220 17.284 45 HG22 VAL 34 HG22 VAL 34 -13.586 12.025 17.720 46 HG23 VAL 34 HG23 VAL 34 -13.173 11.784 16.022 47 HA PRO 35 HA PRO 35 -8.999 8.237 15.616 48 HB2 PRO 35 HB2 PRO 35 -8.558 11.177 15.932 49 HB3 PRO 35 HB3 PRO 35 -7.698 10.013 14.918 50 HG2 PRO 35 HG2 PRO 35 -9.481 11.666 13.847 51 HG3 PRO 35 HG3 PRO 35 -9.368 9.981 13.306 52 HD2 PRO 35 HD2 PRO 35 -11.409 11.285 15.041 53 HD3 PRO 35 HD3 PRO 35 -11.598 9.965 13.871 54 H LEU 36 HN LEU 36 -8.835 7.245 17.556 55 HA LEU 36 HA LEU 36 -7.652 8.617 19.732 56 HB2 LEU 36 HB2 LEU 36 -9.968 9.367 20.089 57 HB3 LEU 36 HB3 LEU 36 -10.506 7.699 20.126 58 HG LEU 36 HG LEU 36 -9.063 7.361 22.156 59 HD11 LEU 36 HD11 LEU 36 -8.841 10.364 22.013 60 HD12 LEU 36 HD12 LEU 36 -7.522 9.207 21.833 61 HD13 LEU 36 HD13 LEU 36 -8.353 9.363 23.381 62 HD21 LEU 36 HD21 LEU 36 -10.626 8.433 23.680 63 HD22 LEU 36 HD22 LEU 36 -11.481 7.726 22.309 64 HD23 LEU 36 HD23 LEU 36 -11.210 9.467 22.376 65 H LEU 37 HN LEU 37 -6.752 7.190 21.231 66 HA LEU 37 HA LEU 37 -6.413 4.510 20.351 67 HB2 LEU 37 HB2 LEU 37 -5.455 6.122 22.661 68 HB3 LEU 37 HB3 LEU 37 -5.374 4.377 22.801 69 HG LEU 37 HG LEU 37 -3.253 5.295 22.025 70 HD11 LEU 37 HD11 LEU 37 -2.939 3.878 20.076 71 HD12 LEU 37 HD12 LEU 37 -4.685 3.767 19.854 72 HD13 LEU 37 HD13 LEU 37 -3.931 3.060 21.283 73 HD21 LEU 37 HD21 LEU 37 -3.056 6.379 19.861 74 HD22 LEU 37 HD22 LEU 37 -4.141 7.294 20.908 75 HD23 LEU 37 HD23 LEU 37 -4.801 6.275 19.628 76 H TPO 38 HN TPO 38 -8.403 3.531 20.292 77 HA TPO 38 HA TPO 38 -9.330 2.435 22.791 78 HB TPO 38 HB TPO 38 -11.776 3.123 21.803 79 HG21 TPO 38 HG21 TPO 38 -12.060 4.444 23.650 80 HG22 TPO 38 HG22 TPO 38 -10.442 5.138 23.541 81 HG23 TPO 38 HG23 TPO 38 -10.658 3.495 24.142 82 HA PRO 39 HA PRO 39 -9.320 -1.082 20.011 83 HB2 PRO 39 HB2 PRO 39 -11.222 -1.949 22.159 84 HB3 PRO 39 HB3 PRO 39 -9.908 -2.850 21.391 85 HG2 PRO 39 HG2 PRO 39 -9.577 -1.776 23.800 86 HG3 PRO 39 HG3 PRO 39 -8.266 -1.754 22.606 87 HD2 PRO 39 HD2 PRO 39 -10.001 0.466 23.546 88 HD3 PRO 39 HD3 PRO 39 -8.337 0.510 22.933 89 H SER 40 HN SER 40 -10.444 -1.019 18.196 90 HA SER 40 HA SER 40 -13.258 -1.452 18.116 91 HB2 SER 40 HB2 SER 40 -13.837 0.670 16.920 92 HB3 SER 40 HB3 SER 40 -13.394 0.918 18.609 93 HG SER 40 HG SER 40 -11.473 1.764 17.991 94 H SEP 41 HN SEP 41 -14.030 -1.039 15.688 95 HA SEP 41 HA SEP 41 -12.617 -2.799 14.060 96 HB2 SEP 41 HB2 SEP 41 -15.054 -1.531 13.898 97 HB3 SEP 41 HB3 SEP 41 -14.159 -0.805 12.558 98 H LYS 42 HN LYS 42 -12.439 0.728 14.247 99 HA LYS 42 HA LYS 42 -10.703 1.015 11.997 100 HB2 LYS 42 HB2 LYS 42 -10.575 3.305 12.552 101 HB3 LYS 42 HB3 LYS 42 -12.200 2.814 13.000 102 HG2 LYS 42 HG2 LYS 42 -11.611 4.064 14.814 103 HG3 LYS 42 HG3 LYS 42 -11.127 2.461 15.359 104 HD2 LYS 42 HD2 LYS 42 -8.818 2.936 14.677 105 HD3 LYS 42 HD3 LYS 42 -9.311 4.536 14.130 106 HE2 LYS 42 HE2 LYS 42 -10.000 5.090 16.422 107 HE3 LYS 42 HE3 LYS 42 -9.468 3.496 16.957 108 HZ1 LYS 42 HZ1 LYS 42 -7.215 4.084 16.207 109 HZ2 LYS 42 HZ2 LYS 42 -7.777 5.109 17.428 110 HZ3 LYS 42 HZ3 LYS 42 -7.755 5.641 15.823 111 H GLU 43 HN GLU 43 -10.214 0.732 15.487 112 HA GLU 43 HA GLU 43 -7.472 1.290 15.570 113 HB2 GLU 43 HB2 GLU 43 -9.167 0.957 17.501 114 HB3 GLU 43 HB3 GLU 43 -8.763 -0.748 17.362 115 HG2 GLU 43 HG2 GLU 43 -7.445 0.231 19.100 116 HG3 GLU 43 HG3 GLU 43 -6.393 -0.186 17.748 117 H MET 44 HN MET 44 -9.213 -1.713 14.918 118 HA MET 44 HA MET 44 -6.823 -3.312 14.778 119 HB2 MET 44 HB2 MET 44 -9.658 -3.922 13.920 120 HB3 MET 44 HB3 MET 44 -8.347 -5.092 13.981 121 HG2 MET 44 HG2 MET 44 -8.185 -4.850 16.373 122 HG3 MET 44 HG3 MET 44 -9.397 -3.572 16.356 123 HE1 MET 44 HE1 MET 44 -12.617 -5.527 15.278 124 HE2 MET 44 HE2 MET 44 -11.476 -4.737 14.191 125 HE3 MET 44 HE3 MET 44 -11.937 -3.958 15.705 126 H MET 45 HN MET 45 -8.841 -1.531 12.532 127 HA MET 45 HA MET 45 -8.098 -2.695 10.118 128 HB2 MET 45 HB2 MET 45 -9.901 -1.061 10.293 129 HB3 MET 45 HB3 MET 45 -8.748 0.197 10.713 130 HG2 MET 45 HG2 MET 45 -7.708 -0.039 8.507 131 HG3 MET 45 HG3 MET 45 -8.902 -1.266 8.090 132 HE1 MET 45 HE1 MET 45 -8.258 1.411 6.412 133 HE2 MET 45 HE2 MET 45 -9.884 1.915 5.950 134 HE3 MET 45 HE3 MET 45 -9.435 0.211 5.877 135 H SER 46 HN SER 46 -6.568 0.025 11.859 136 HA SER 46 HA SER 46 -4.409 0.097 9.932 137 HB2 SER 46 HB2 SER 46 -4.831 1.663 12.500 138 HB3 SER 46 HB3 SER 46 -3.507 1.934 11.367 139 HG SER 46 HG SER 46 -6.225 2.518 11.113 140 H GLN 47 HN GLN 47 -5.032 -1.293 13.071 141 HA GLN 47 HA GLN 47 -2.471 -1.694 14.067 142 HB2 GLN 47 HB2 GLN 47 -4.533 -2.212 15.303 143 HB3 GLN 47 HB3 GLN 47 -4.832 -3.574 14.232 144 HG2 GLN 47 HG2 GLN 47 -2.841 -4.684 15.032 145 HG3 GLN 47 HG3 GLN 47 -2.434 -3.290 16.031 146 HE21 GLN 47 HE21 GLN 47 -3.615 -2.893 17.911 147 HE22 GLN 47 HE22 GLN 47 -4.637 -4.089 18.622 148 H ALA 48 HN ALA 48 -4.369 -3.863 11.961 149 HA ALA 48 HA ALA 48 -2.313 -5.767 11.599 150 HB1 ALA 48 HB1 ALA 48 -3.700 -6.702 9.859 151 HB2 ALA 48 HB2 ALA 48 -4.656 -5.221 9.787 152 HB3 ALA 48 HB3 ALA 48 -4.712 -6.236 11.229 153 H LEU 49 HN LEU 49 -3.320 -2.950 9.697 154 HA LEU 49 HA LEU 49 -1.625 -3.373 7.494 155 HB2 LEU 49 HB2 LEU 49 -2.764 -0.831 8.654 156 HB3 LEU 49 HB3 LEU 49 -1.894 -0.897 7.132 157 HG LEU 49 HG LEU 49 -4.418 -2.460 7.679 158 HD11 LEU 49 HD11 LEU 49 -4.770 0.002 7.774 159 HD12 LEU 49 HD12 LEU 49 -5.625 -0.798 6.457 160 HD13 LEU 49 HD13 LEU 49 -4.148 0.107 6.128 161 HD21 LEU 49 HD21 LEU 49 -2.998 -1.806 5.099 162 HD22 LEU 49 HD22 LEU 49 -4.465 -2.769 5.277 163 HD23 LEU 49 HD23 LEU 49 -2.936 -3.360 5.928 164 H LYS 50 HN LYS 50 -1.111 -1.679 10.565 165 HA LYS 50 HA LYS 50 1.489 -0.719 9.930 166 HB2 LYS 50 HB2 LYS 50 0.043 -1.111 12.547 167 HB3 LYS 50 HB3 LYS 50 1.673 -0.459 12.457 168 HG2 LYS 50 HG2 LYS 50 -0.723 0.747 11.090 169 HG3 LYS 50 HG3 LYS 50 -0.086 1.269 12.650 170 HD2 LYS 50 HD2 LYS 50 2.050 1.823 11.595 171 HD3 LYS 50 HD3 LYS 50 1.421 1.288 10.035 172 HE2 LYS 50 HE2 LYS 50 -0.258 3.033 10.078 173 HE3 LYS 50 HE3 LYS 50 0.263 3.531 11.687 174 HZ1 LYS 50 HZ1 LYS 50 1.138 4.944 9.886 175 HZ2 LYS 50 HZ2 LYS 50 1.988 3.617 9.271 176 HZ3 LYS 50 HZ3 LYS 50 2.362 4.222 10.804 177 H ALA 51 HN ALA 51 0.253 -3.664 11.418 178 HA ALA 51 HA ALA 51 2.750 -4.685 12.299 179 HB1 ALA 51 HB1 ALA 51 1.589 -6.828 12.496 180 HB2 ALA 51 HB2 ALA 51 0.231 -6.191 11.566 181 HB3 ALA 51 HB3 ALA 51 0.607 -5.518 13.153 182 H THR 52 HN THR 52 1.048 -4.750 9.237 183 HA THR 52 HA THR 52 2.409 -6.799 7.920 184 HB THR 52 HB THR 52 1.303 -4.240 6.740 185 HG1 THR 52 HG1 THR 52 -0.476 -5.195 7.443 186 HG21 THR 52 HG21 THR 52 1.114 -5.587 4.659 187 HG22 THR 52 HG22 THR 52 2.036 -6.867 5.446 188 HG23 THR 52 HG23 THR 52 2.780 -5.294 5.156 189 H PHE 53 HN PHE 53 3.404 -3.541 8.690 190 HA PHE 53 HA PHE 53 5.385 -3.026 6.857 191 HB2 PHE 53 HB2 PHE 53 5.037 -2.296 9.735 192 HB3 PHE 53 HB3 PHE 53 6.550 -1.896 8.931 193 HD1 PHE 53 HD2 PHE 53 2.866 -1.589 8.387 194 HD2 PHE 53 HD1 PHE 53 6.724 0.138 7.892 195 HE1 PHE 53 HE2 PHE 53 1.835 0.440 7.454 196 HE2 PHE 53 HE1 PHE 53 5.699 2.167 6.956 197 HZ PHE 53 HZ PHE 53 3.253 2.322 6.737 198 H SER 54 HN SER 54 5.492 -5.365 9.493 199 HA SER 54 HA SER 54 8.212 -5.710 9.804 200 HB2 SER 54 HB2 SER 54 7.685 -8.048 10.457 201 HB3 SER 54 HB3 SER 54 6.590 -6.882 11.198 202 HG SER 54 HG SER 54 4.973 -7.598 9.985 203 H GLY 55 HN GLY 55 6.116 -7.053 7.263 204 HA2 GLY 55 HA2 GLY 55 8.310 -8.502 6.041 205 HA3 GLY 55 HA1 GLY 55 6.665 -8.387 5.435 206 H PHE 56 HN PHE 56 6.885 -5.373 5.751 207 HA PHE 56 HA PHE 56 7.913 -4.893 3.081 208 HB2 PHE 56 HB2 PHE 56 5.804 -3.824 3.746 209 HB3 PHE 56 HB3 PHE 56 6.645 -2.955 5.028 210 HD1 PHE 56 HD1 PHE 56 7.385 -3.579 1.422 211 HD2 PHE 56 HD2 PHE 56 6.804 -0.717 4.518 212 HE1 PHE 56 HE1 PHE 56 7.925 -1.771 -0.154 213 HE2 PHE 56 HE2 PHE 56 7.340 1.097 2.945 214 HZ PHE 56 HZ PHE 56 7.905 0.569 0.605 215 H THR 57 HN THR 57 8.564 -3.627 6.348 216 HA THR 57 HA THR 57 10.704 -1.981 5.718 217 HB THR 57 HB THR 57 10.426 -3.558 8.275 218 HG1 THR 57 HG1 THR 57 9.304 -1.042 7.516 219 HG21 THR 57 HG21 THR 57 12.588 -2.483 8.057 220 HG22 THR 57 HG22 THR 57 11.619 -1.629 9.258 221 HG23 THR 57 HG23 THR 57 11.815 -0.954 7.639 222 H LYS 58 HN LYS 58 10.723 -5.452 6.417 223 HA LYS 58 HA LYS 58 13.536 -5.749 6.415 224 HB2 LYS 58 HB2 LYS 58 11.340 -7.732 5.803 225 HB3 LYS 58 HB3 LYS 58 13.036 -8.168 5.954 226 HG2 LYS 58 HG2 LYS 58 11.332 -6.947 8.116 227 HG3 LYS 58 HG3 LYS 58 11.798 -8.644 7.998 228 HD2 LYS 58 HD2 LYS 58 13.701 -6.323 8.296 229 HD3 LYS 58 HD3 LYS 58 13.188 -7.391 9.600 230 HE2 LYS 58 HE2 LYS 58 14.179 -9.297 8.428 231 HE3 LYS 58 HE3 LYS 58 14.683 -8.232 7.117 232 HZ1 LYS 58 HZ1 LYS 58 15.604 -8.072 9.937 233 HZ2 LYS 58 HZ2 LYS 58 16.076 -7.027 8.694 234 HZ3 LYS 58 HZ3 LYS 58 16.503 -8.661 8.630 235 H GLU 59 HN GLU 59 11.212 -5.420 3.875 236 HA GLU 59 HA GLU 59 13.011 -6.390 1.804 237 HB2 GLU 59 HB2 GLU 59 10.691 -6.914 1.513 238 HB3 GLU 59 HB3 GLU 59 10.210 -5.246 1.780 239 HG2 GLU 59 HG2 GLU 59 12.045 -5.660 -0.471 240 HG3 GLU 59 HG3 GLU 59 10.459 -6.410 -0.646 241 H GLN 60 HN GLN 60 11.465 -3.309 2.754 242 HA GLN 60 HA GLN 60 12.723 -1.748 0.772 243 HB2 GLN 60 HB2 GLN 60 11.998 0.186 2.104 244 HB3 GLN 60 HB3 GLN 60 10.708 -0.981 1.873 245 HG2 GLN 60 HG2 GLN 60 11.081 -1.836 4.119 246 HG3 GLN 60 HG3 GLN 60 12.365 -0.660 4.361 247 HE21 GLN 60 HE21 GLN 60 10.976 1.490 2.974 248 HE22 GLN 60 HE22 GLN 60 9.696 1.995 4.016 249 H GLN 61 HN GLN 61 13.871 -2.898 3.868 250 HA GLN 61 HA GLN 61 16.006 -0.939 4.019 251 HB2 GLN 61 HB2 GLN 61 16.745 -2.096 5.982 252 HB3 GLN 61 HB3 GLN 61 14.993 -1.999 6.055 253 HG2 GLN 61 HG2 GLN 61 14.797 -4.305 5.377 254 HG3 GLN 61 HG3 GLN 61 16.542 -4.418 5.160 255 HE21 GLN 61 HE21 GLN 61 13.958 -4.113 7.496 256 HE22 GLN 61 HE22 GLN 61 14.879 -4.619 8.867 257 H ARG 62 HN ARG 62 15.590 -4.178 2.766 258 HA ARG 62 HA ARG 62 18.333 -4.792 2.411 259 HB2 ARG 62 HB2 ARG 62 16.443 -6.442 2.352 260 HB3 ARG 62 HB3 ARG 62 15.986 -5.790 0.783 261 HG2 ARG 62 HG2 ARG 62 17.240 -7.810 0.473 262 HG3 ARG 62 HG3 ARG 62 18.197 -6.442 -0.095 263 HD2 ARG 62 HD2 ARG 62 19.473 -6.453 1.978 264 HD3 ARG 62 HD3 ARG 62 18.490 -7.781 2.593 265 HE ARG 62 HE ARG 62 19.634 -8.559 0.154 266 HH11 ARG 62 HH11 ARG 62 20.598 -7.855 3.445 267 HH12 ARG 62 HH12 ARG 62 21.971 -8.909 3.398 268 HH21 ARG 62 HH21 ARG 62 21.443 -9.947 0.097 269 HH22 ARG 62 HH22 ARG 62 22.451 -10.095 1.498 270 H LEU 63 HN LEU 63 16.010 -2.961 0.544 271 HA LEU 63 HA LEU 63 17.868 -2.656 -1.715 272 HB2 LEU 63 HB2 LEU 63 14.967 -1.906 -1.376 273 HB3 LEU 63 HB3 LEU 63 15.913 -1.614 -2.823 274 HG LEU 63 HG LEU 63 15.788 -4.411 -1.829 275 HD11 LEU 63 HD11 LEU 63 13.656 -4.741 -3.081 276 HD12 LEU 63 HD12 LEU 63 13.478 -2.987 -3.130 277 HD13 LEU 63 HD13 LEU 63 13.492 -3.830 -1.580 278 HD21 LEU 63 HD21 LEU 63 15.770 -4.883 -4.225 279 HD22 LEU 63 HD22 LEU 63 17.113 -3.825 -3.791 280 HD23 LEU 63 HD23 LEU 63 15.679 -3.155 -4.569 281 H GLY 64 HN GLY 64 16.364 -0.824 0.896 282 HA2 GLY 64 HA2 GLY 64 17.581 1.125 1.704 283 HA3 GLY 64 HA1 GLY 64 17.948 1.517 0.034 284 H ILE 65 HN ILE 65 14.829 0.506 -0.030 285 HA ILE 65 HA ILE 65 13.727 3.029 -0.553 286 HB ILE 65 HB ILE 65 12.238 0.531 0.282 287 HG12 ILE 65 HG12 ILE 65 12.772 1.466 -2.538 288 HG13 ILE 65 HG13 ILE 65 13.834 0.333 -1.708 289 HG21 ILE 65 HG21 ILE 65 11.323 2.974 -1.227 290 HG22 ILE 65 HG22 ILE 65 10.838 2.497 0.400 291 HG23 ILE 65 HG23 ILE 65 10.367 1.512 -0.984 292 HD11 ILE 65 HD11 ILE 65 10.908 -0.094 -2.272 293 HD12 ILE 65 HD12 ILE 65 11.991 -1.234 -1.472 294 HD13 ILE 65 HD13 ILE 65 12.254 -0.808 -3.162 295 HA PRO 66 HA PRO 66 13.090 4.390 3.663 296 HB2 PRO 66 HB2 PRO 66 12.010 6.792 3.122 297 HB3 PRO 66 HB3 PRO 66 13.723 6.455 2.847 298 HG2 PRO 66 HG2 PRO 66 11.468 6.527 0.888 299 HG3 PRO 66 HG3 PRO 66 13.117 7.153 0.719 300 HD2 PRO 66 HD2 PRO 66 12.265 4.758 -0.322 301 HD3 PRO 66 HD3 PRO 66 13.951 5.120 0.091 302 H LYS 67 HN LYS 67 11.197 5.394 4.940 303 HA LYS 67 HA LYS 67 8.761 3.929 4.223 304 HB2 LYS 67 HB2 LYS 67 8.090 4.285 6.572 305 HB3 LYS 67 HB3 LYS 67 9.633 3.459 6.435 306 HG2 LYS 67 HG2 LYS 67 10.812 5.515 6.955 307 HG3 LYS 67 HG3 LYS 67 9.285 6.396 7.013 308 HD2 LYS 67 HD2 LYS 67 9.594 5.986 9.243 309 HD3 LYS 67 HD3 LYS 67 8.674 4.550 8.794 310 HE2 LYS 67 HE2 LYS 67 11.681 4.719 8.999 311 HE3 LYS 67 HE3 LYS 67 10.612 4.016 10.211 312 HZ1 LYS 67 HZ1 LYS 67 9.857 2.470 8.382 313 HZ2 LYS 67 HZ2 LYS 67 11.428 2.231 8.957 314 HZ3 LYS 67 HZ3 LYS 67 11.182 3.018 7.482 315 H ASP 68 HN ASP 68 9.172 6.167 2.687 316 HA ASP 68 HA ASP 68 6.823 7.729 3.335 317 HB2 ASP 68 HB2 ASP 68 9.579 8.930 3.261 318 HB3 ASP 68 HB3 ASP 68 8.154 9.894 2.890 319 HA PRO 69 HA PRO 69 6.655 6.931 -1.118 320 HB2 PRO 69 HB2 PRO 69 4.194 8.565 -0.769 321 HB3 PRO 69 HB3 PRO 69 4.402 6.984 -1.528 322 HG2 PRO 69 HG2 PRO 69 3.252 7.191 0.856 323 HG3 PRO 69 HG3 PRO 69 4.361 5.859 0.501 324 HD2 PRO 69 HD2 PRO 69 4.847 8.359 2.071 325 HD3 PRO 69 HD3 PRO 69 5.389 6.700 2.398 326 H ARG 70 HN ARG 70 6.048 10.105 0.414 327 HA ARG 70 HA ARG 70 6.280 11.713 -1.841 328 HB2 ARG 70 HB2 ARG 70 6.939 13.516 -0.274 329 HB3 ARG 70 HB3 ARG 70 5.551 12.604 0.301 330 HG2 ARG 70 HG2 ARG 70 7.647 11.264 1.448 331 HG3 ARG 70 HG3 ARG 70 8.197 12.939 1.482 332 HD2 ARG 70 HD2 ARG 70 5.527 11.983 2.513 333 HD3 ARG 70 HD3 ARG 70 6.950 12.252 3.517 334 HE ARG 70 HE ARG 70 6.262 14.557 1.977 335 HH11 ARG 70 HH11 ARG 70 5.464 12.787 4.890 336 HH12 ARG 70 HH12 ARG 70 4.834 14.177 5.707 337 HH21 ARG 70 HH21 ARG 70 5.435 16.385 3.061 338 HH22 ARG 70 HH22 ARG 70 4.818 16.218 4.671 339 H GLN 71 HN GLN 71 8.830 10.314 0.168 340 HA GLN 71 HA GLN 71 10.871 11.486 -1.576 341 HB2 GLN 71 HB2 GLN 71 12.486 10.815 0.113 342 HB3 GLN 71 HB3 GLN 71 11.187 11.743 0.851 343 HG2 GLN 71 HG2 GLN 71 10.148 9.653 1.609 344 HG3 GLN 71 HG3 GLN 71 11.487 8.748 0.909 345 HE21 GLN 71 HE21 GLN 71 10.465 10.838 3.478 346 HE22 GLN 71 HE22 GLN 71 11.862 10.637 4.473 347 H TRP 72 HN TRP 72 9.346 9.574 -2.828 348 HA TRP 72 HA TRP 72 11.170 7.251 -2.967 349 HB2 TRP 72 HB2 TRP 72 8.198 7.499 -3.183 350 HB3 TRP 72 HB3 TRP 72 8.991 6.290 -4.176 351 HD1 TRP 72 HD1 TRP 72 10.667 6.727 -0.859 352 HE1 TRP 72 HE1 TRP 72 10.054 4.758 0.681 353 HE3 TRP 72 HE3 TRP 72 6.905 4.677 -3.634 354 HZ2 TRP 72 HZ2 TRP 72 8.213 2.617 0.711 355 HZ3 TRP 72 HZ3 TRP 72 5.767 2.671 -2.784 356 HH2 TRP 72 HH2 TRP 72 6.410 1.664 -0.659 357 H THR 73 HN THR 73 11.116 6.188 -5.195 358 HA THR 73 HA THR 73 10.760 8.129 -7.315 359 HB THR 73 HB THR 73 13.168 8.027 -6.784 360 HG1 THR 73 HG1 THR 73 13.559 8.230 -8.855 361 HG21 THR 73 HG21 THR 73 14.409 5.952 -7.305 362 HG22 THR 73 HG22 THR 73 12.874 5.119 -7.546 363 HG23 THR 73 HG23 THR 73 13.293 5.753 -5.953 364 H GLU 74 HN GLU 74 11.223 6.751 -9.564 365 HA GLU 74 HA GLU 74 8.959 5.219 -9.944 366 HB2 GLU 74 HB2 GLU 74 11.568 5.057 -11.458 367 HB3 GLU 74 HB3 GLU 74 10.034 4.401 -12.016 368 HG2 GLU 74 HG2 GLU 74 9.096 6.701 -11.936 369 HG3 GLU 74 HG3 GLU 74 10.711 7.295 -11.557 370 H THR 75 HN THR 75 12.237 4.071 -9.173 371 HA THR 75 HA THR 75 11.667 1.326 -9.349 372 HB THR 75 HB THR 75 13.744 2.630 -7.575 373 HG1 THR 75 HG1 THR 75 14.482 3.252 -9.475 374 HG21 THR 75 HG21 THR 75 13.603 -0.139 -8.777 375 HG22 THR 75 HG22 THR 75 13.391 0.265 -7.074 376 HG23 THR 75 HG23 THR 75 14.955 0.511 -7.850 377 H HIS 76 HN HIS 76 11.715 3.500 -6.518 378 HA HIS 76 HA HIS 76 11.049 1.571 -4.589 379 HB2 HIS 76 HB2 HIS 76 10.434 4.532 -4.562 380 HB3 HIS 76 HB3 HIS 76 10.359 3.466 -3.165 381 HD1 HIS 76 HD1 HIS 76 12.171 5.678 -2.691 382 HD2 HIS 76 HD2 HIS 76 13.450 2.322 -4.778 383 HE1 HIS 76 HE1 HIS 76 14.677 5.693 -2.514 384 HE2 HIS 76 HE2 HIS 76 15.421 3.592 -3.686 385 H VAL 77 HN VAL 77 8.990 3.668 -6.561 386 HA VAL 77 HA VAL 77 6.506 3.054 -5.385 387 HB VAL 77 HB VAL 77 7.206 3.893 -8.210 388 HG11 VAL 77 HG11 VAL 77 4.493 3.649 -6.906 389 HG12 VAL 77 HG12 VAL 77 5.080 2.740 -8.298 390 HG13 VAL 77 HG13 VAL 77 4.808 4.477 -8.430 391 HG21 VAL 77 HG21 VAL 77 7.742 5.530 -6.506 392 HG22 VAL 77 HG22 VAL 77 6.126 5.382 -5.818 393 HG23 VAL 77 HG23 VAL 77 6.338 6.069 -7.428 394 H ARG 78 HN ARG 78 8.107 1.667 -8.277 395 HA ARG 78 HA ARG 78 6.111 -0.310 -8.767 396 HB2 ARG 78 HB2 ARG 78 7.582 0.515 -10.538 397 HB3 ARG 78 HB3 ARG 78 8.987 -0.124 -9.699 398 HG2 ARG 78 HG2 ARG 78 7.319 -2.318 -9.973 399 HG3 ARG 78 HG3 ARG 78 7.140 -1.441 -11.494 400 HD2 ARG 78 HD2 ARG 78 8.948 -2.969 -11.760 401 HD3 ARG 78 HD3 ARG 78 9.631 -1.348 -11.638 402 HE ARG 78 HE ARG 78 9.500 -2.823 -9.151 403 HH11 ARG 78 HH11 ARG 78 11.454 -2.012 -11.945 404 HH12 ARG 78 HH12 ARG 78 12.950 -2.367 -11.150 405 HH21 ARG 78 HH21 ARG 78 11.472 -3.290 -8.116 406 HH22 ARG 78 HH22 ARG 78 12.962 -3.094 -8.978 407 H ASP 79 HN ASP 79 9.346 -0.483 -7.236 408 HA ASP 79 HA ASP 79 9.348 -3.231 -6.780 409 HB2 ASP 79 HB2 ASP 79 11.321 -1.738 -6.450 410 HB3 ASP 79 HB3 ASP 79 10.578 -1.107 -4.983 411 H TRP 80 HN TRP 80 8.061 -0.591 -4.779 412 HA TRP 80 HA TRP 80 7.260 -2.203 -2.616 413 HB2 TRP 80 HB2 TRP 80 7.260 0.066 -2.066 414 HB3 TRP 80 HB3 TRP 80 6.458 0.531 -3.563 415 HD1 TRP 80 HD1 TRP 80 5.580 -1.269 -0.237 416 HE1 TRP 80 HE1 TRP 80 3.114 -0.779 0.299 417 HE3 TRP 80 HE3 TRP 80 4.353 1.387 -4.425 418 HZ2 TRP 80 HZ2 TRP 80 0.932 0.554 -0.899 419 HZ3 TRP 80 HZ3 TRP 80 2.056 2.236 -4.654 420 HH2 TRP 80 HH2 TRP 80 0.383 1.826 -2.927 421 H VAL 81 HN VAL 81 5.159 -0.720 -5.107 422 HA VAL 81 HA VAL 81 2.830 -1.990 -4.806 423 HB VAL 81 HB VAL 81 4.276 -1.490 -7.409 424 HG11 VAL 81 HG11 VAL 81 2.057 -1.722 -8.504 425 HG12 VAL 81 HG12 VAL 81 1.426 -2.387 -6.998 426 HG13 VAL 81 HG13 VAL 81 2.696 -3.240 -7.876 427 HG21 VAL 81 HG21 VAL 81 3.679 0.472 -6.062 428 HG22 VAL 81 HG22 VAL 81 1.993 -0.043 -6.074 429 HG23 VAL 81 HG23 VAL 81 2.786 0.416 -7.580 430 H MET 82 HN MET 82 5.552 -3.402 -6.622 431 HA MET 82 HA MET 82 4.445 -5.845 -7.294 432 HB2 MET 82 HB2 MET 82 6.703 -4.828 -7.959 433 HB3 MET 82 HB3 MET 82 7.325 -5.522 -6.470 434 HG2 MET 82 HG2 MET 82 6.939 -7.720 -7.209 435 HG3 MET 82 HG3 MET 82 5.923 -7.175 -8.543 436 HE1 MET 82 HE1 MET 82 7.761 -4.648 -9.576 437 HE2 MET 82 HE2 MET 82 6.843 -5.767 -10.584 438 HE3 MET 82 HE3 MET 82 8.553 -5.485 -10.911 439 H TRP 83 HN TRP 83 6.328 -5.033 -4.379 440 HA TRP 83 HA TRP 83 6.183 -7.555 -3.156 441 HB2 TRP 83 HB2 TRP 83 7.795 -5.914 -2.410 442 HB3 TRP 83 HB3 TRP 83 6.513 -4.799 -1.957 443 HD1 TRP 83 HD1 TRP 83 8.381 -7.875 -0.723 444 HE1 TRP 83 HE1 TRP 83 7.746 -8.309 1.733 445 HE3 TRP 83 HE3 TRP 83 4.577 -4.489 -0.257 446 HZ2 TRP 83 HZ2 TRP 83 5.875 -7.344 3.616 447 HZ3 TRP 83 HZ3 TRP 83 3.418 -4.309 1.905 448 HH2 TRP 83 HH2 TRP 83 4.056 -5.707 3.800 449 H ALA 84 HN ALA 84 4.063 -4.718 -2.911 450 HA ALA 84 HA ALA 84 2.356 -5.786 -0.905 451 HB1 ALA 84 HB1 ALA 84 0.821 -3.962 -1.551 452 HB2 ALA 84 HB2 ALA 84 1.859 -3.603 -2.932 453 HB3 ALA 84 HB3 ALA 84 2.472 -3.401 -1.291 454 H VAL 85 HN VAL 85 2.618 -6.340 -4.286 455 HA VAL 85 HA VAL 85 -0.099 -7.258 -4.662 456 HB VAL 85 HB VAL 85 2.331 -7.308 -6.454 457 HG11 VAL 85 HG11 VAL 85 -0.451 -8.325 -7.018 458 HG12 VAL 85 HG12 VAL 85 1.040 -9.265 -6.998 459 HG13 VAL 85 HG13 VAL 85 0.782 -8.047 -8.247 460 HG21 VAL 85 HG21 VAL 85 1.284 -5.577 -7.662 461 HG22 VAL 85 HG22 VAL 85 1.087 -5.145 -5.964 462 HG23 VAL 85 HG23 VAL 85 -0.261 -5.842 -6.855 463 H ASN 86 HN ASN 86 3.072 -8.597 -3.986 464 HA ASN 86 HA ASN 86 2.294 -11.331 -4.411 465 HB2 ASN 86 HB2 ASN 86 4.625 -10.600 -4.721 466 HB3 ASN 86 HB3 ASN 86 4.722 -10.177 -3.016 467 HD21 ASN 86 HD21 ASN 86 4.861 -11.806 -1.474 468 HD22 ASN 86 HD22 ASN 86 5.244 -13.437 -1.894 469 H GLU 87 HN GLU 87 2.585 -9.151 -1.644 470 HA GLU 87 HA GLU 87 2.195 -11.152 0.349 471 HB2 GLU 87 HB2 GLU 87 1.796 -8.160 0.510 472 HB3 GLU 87 HB3 GLU 87 1.853 -9.254 1.884 473 HG2 GLU 87 HG2 GLU 87 4.111 -8.786 -0.048 474 HG3 GLU 87 HG3 GLU 87 3.953 -8.032 1.535 475 H PHE 88 HN PHE 88 0.048 -8.912 -1.356 476 HA PHE 88 HA PHE 88 -2.259 -10.027 0.075 477 HB2 PHE 88 HB2 PHE 88 -1.917 -7.546 -1.599 478 HB3 PHE 88 HB3 PHE 88 -3.496 -8.133 -1.090 479 HD1 PHE 88 HD1 PHE 88 -0.247 -6.866 0.134 480 HD2 PHE 88 HD2 PHE 88 -4.304 -7.734 1.080 481 HE1 PHE 88 HE1 PHE 88 0.001 -5.672 2.271 482 HE2 PHE 88 HE2 PHE 88 -4.064 -6.542 3.218 483 HZ PHE 88 HZ PHE 88 -1.911 -5.508 3.816 484 H SER 89 HN SER 89 -0.582 -10.912 -2.548 485 HA SER 89 HA SER 89 -1.020 -11.833 -4.594 486 HB2 SER 89 HB2 SER 89 -3.347 -12.917 -2.982 487 HB3 SER 89 HB3 SER 89 -2.776 -13.587 -4.510 488 HG SER 89 HG SER 89 -1.834 -14.739 -2.851 489 H LEU 90 HN LEU 90 -1.650 -9.346 -4.926 490 HA LEU 90 HA LEU 90 -4.385 -8.885 -5.563 491 HB2 LEU 90 HB2 LEU 90 -1.924 -7.268 -6.221 492 HB3 LEU 90 HB3 LEU 90 -3.569 -6.718 -6.451 493 HG LEU 90 HG LEU 90 -2.360 -7.424 -3.777 494 HD11 LEU 90 HD11 LEU 90 -2.300 -5.037 -3.351 495 HD12 LEU 90 HD12 LEU 90 -2.912 -4.712 -4.972 496 HD13 LEU 90 HD13 LEU 90 -1.318 -5.436 -4.760 497 HD21 LEU 90 HD21 LEU 90 -4.755 -7.751 -3.810 498 HD22 LEU 90 HD22 LEU 90 -4.993 -6.156 -4.523 499 HD23 LEU 90 HD23 LEU 90 -4.365 -6.304 -2.881 500 H LYS 91 HN LYS 91 -5.269 -8.471 -7.664 501 HA LYS 91 HA LYS 91 -3.727 -9.616 -9.891 502 HB2 LYS 91 HB2 LYS 91 -5.737 -10.765 -10.704 503 HB3 LYS 91 HB3 LYS 91 -5.263 -11.337 -9.113 504 HG2 LYS 91 HG2 LYS 91 -7.332 -9.198 -9.373 505 HG3 LYS 91 HG3 LYS 91 -7.761 -10.888 -9.634 506 HD2 LYS 91 HD2 LYS 91 -7.116 -11.482 -7.425 507 HD3 LYS 91 HD3 LYS 91 -6.349 -9.917 -7.155 508 HE2 LYS 91 HE2 LYS 91 -8.571 -8.842 -7.372 509 HE3 LYS 91 HE3 LYS 91 -9.296 -10.442 -7.515 510 HZ1 LYS 91 HZ1 LYS 91 -8.483 -10.977 -5.308 511 HZ2 LYS 91 HZ2 LYS 91 -9.443 -9.587 -5.257 512 HZ3 LYS 91 HZ3 LYS 91 -7.759 -9.453 -5.172 513 H GLY 92 HN GLY 92 -4.030 -8.721 -11.897 514 HA2 GLY 92 HA2 GLY 92 -4.947 -7.319 -13.517 515 HA3 GLY 92 HA1 GLY 92 -6.113 -6.750 -12.336 516 H VAL 93 HN VAL 93 -3.163 -6.521 -10.848 517 HA VAL 93 HA VAL 93 -3.125 -3.675 -11.097 518 HB VAL 93 HB VAL 93 -2.540 -4.836 -8.986 519 HG11 VAL 93 HG11 VAL 93 0.060 -5.537 -10.335 520 HG12 VAL 93 HG12 VAL 93 -1.258 -6.680 -10.080 521 HG13 VAL 93 HG13 VAL 93 -0.449 -5.946 -8.699 522 HG21 VAL 93 HG21 VAL 93 -1.845 -2.529 -9.350 523 HG22 VAL 93 HG22 VAL 93 -0.356 -3.085 -10.114 524 HG23 VAL 93 HG23 VAL 93 -0.643 -3.405 -8.402 525 H ASP 94 HN ASP 94 -1.898 -2.406 -12.365 526 HA ASP 94 HA ASP 94 0.053 -3.733 -14.125 527 HB2 ASP 94 HB2 ASP 94 -1.994 -2.567 -15.114 528 HB3 ASP 94 HB3 ASP 94 -1.250 -1.055 -14.609 529 H PHE 95 HN PHE 95 2.129 -3.035 -14.236 530 HA PHE 95 HA PHE 95 3.000 -1.149 -12.183 531 HB2 PHE 95 HB2 PHE 95 4.554 -2.978 -14.033 532 HB3 PHE 95 HB3 PHE 95 5.299 -1.898 -12.860 533 HD1 PHE 95 HD2 PHE 95 4.883 -2.258 -10.428 534 HD2 PHE 95 HD1 PHE 95 3.660 -5.064 -13.385 535 HE1 PHE 95 HE2 PHE 95 4.667 -3.988 -8.694 536 HE2 PHE 95 HE1 PHE 95 3.443 -6.798 -11.655 537 HZ PHE 95 HZ PHE 95 3.946 -6.261 -9.305 538 H GLN 96 HN GLN 96 2.729 -1.321 -15.682 539 HA GLN 96 HA GLN 96 4.416 0.817 -16.367 540 HB2 GLN 96 HB2 GLN 96 3.300 -0.803 -17.956 541 HB3 GLN 96 HB3 GLN 96 1.819 0.119 -17.743 542 HG2 GLN 96 HG2 GLN 96 2.985 2.121 -18.584 543 HG3 GLN 96 HG3 GLN 96 4.410 1.127 -18.881 544 HE21 GLN 96 HE21 GLN 96 1.139 1.826 -19.863 545 HE22 GLN 96 HE22 GLN 96 1.212 1.012 -21.386 546 H LYS 97 HN LYS 97 1.133 0.720 -15.123 547 HA LYS 97 HA LYS 97 0.434 3.440 -15.528 548 HB2 LYS 97 HB2 LYS 97 -0.531 1.466 -13.449 549 HB3 LYS 97 HB3 LYS 97 -1.293 3.003 -13.829 550 HG2 LYS 97 HG2 LYS 97 -0.985 0.677 -15.714 551 HG3 LYS 97 HG3 LYS 97 -2.464 1.149 -14.879 552 HD2 LYS 97 HD2 LYS 97 -2.479 3.273 -16.060 553 HD3 LYS 97 HD3 LYS 97 -0.956 2.864 -16.851 554 HE2 LYS 97 HE2 LYS 97 -3.500 1.273 -17.138 555 HE3 LYS 97 HE3 LYS 97 -2.976 2.517 -18.273 556 HZ1 LYS 97 HZ1 LYS 97 -1.518 0.009 -17.625 557 HZ2 LYS 97 HZ2 LYS 97 -0.951 1.219 -18.662 558 HZ3 LYS 97 HZ3 LYS 97 -2.342 0.346 -19.064 559 H PHE 98 HN PHE 98 2.120 1.728 -12.923 560 HA PHE 98 HA PHE 98 2.348 4.216 -11.393 561 HB2 PHE 98 HB2 PHE 98 3.137 1.391 -10.645 562 HB3 PHE 98 HB3 PHE 98 3.237 2.793 -9.586 563 HD1 PHE 98 HD1 PHE 98 0.804 4.169 -9.753 564 HD2 PHE 98 HD2 PHE 98 1.453 -0.028 -10.042 565 HE1 PHE 98 HE1 PHE 98 -1.501 3.764 -8.997 566 HE2 PHE 98 HE2 PHE 98 -0.852 -0.439 -9.290 567 HZ PHE 98 HZ PHE 98 -2.332 1.459 -8.765 568 H CYS 99 HN CYS 99 3.802 3.964 -13.877 569 HA CYS 99 HA CYS 99 6.568 3.497 -13.114 570 HB2 CYS 99 HB2 CYS 99 5.702 2.753 -15.330 571 HB3 CYS 99 HB3 CYS 99 5.439 4.439 -15.762 572 HG CYS 99 HG CYS 99 8.101 5.140 -15.805 573 H MET 100 HN MET 100 6.188 5.302 -11.473 574 HA MET 100 HA MET 100 7.473 7.689 -12.468 575 HB2 MET 100 HB2 MET 100 5.783 9.269 -11.859 576 HB3 MET 100 HB3 MET 100 5.006 8.070 -12.884 577 HG2 MET 100 HG2 MET 100 4.283 6.935 -10.716 578 HG3 MET 100 HG3 MET 100 4.764 8.430 -9.918 579 HE1 MET 100 HE1 MET 100 2.138 6.589 -12.035 580 HE2 MET 100 HE2 MET 100 2.906 7.535 -13.310 581 HE3 MET 100 HE3 MET 100 1.246 7.886 -12.828 582 H SER 101 HN SER 101 7.812 9.281 -10.605 583 HA SER 101 HA SER 101 8.929 7.817 -8.399 584 HB2 SER 101 HB2 SER 101 8.680 10.807 -8.877 585 HB3 SER 101 HB3 SER 101 9.607 10.067 -7.573 586 HG SER 101 HG SER 101 11.061 9.333 -8.996 587 H GLY 102 HN GLY 102 8.476 8.216 -6.154 588 HA2 GLY 102 HA2 GLY 102 5.806 7.853 -5.450 589 HA3 GLY 102 HA1 GLY 102 7.087 8.297 -4.338 590 H ALA 103 HN ALA 103 7.753 10.829 -5.412 591 HA ALA 103 HA ALA 103 5.990 12.527 -4.102 592 HB1 ALA 103 HB1 ALA 103 7.112 14.353 -5.255 593 HB2 ALA 103 HB2 ALA 103 7.788 13.222 -6.427 594 HB3 ALA 103 HB3 ALA 103 8.283 13.140 -4.737 595 H ALA 104 HN ALA 104 6.045 11.517 -7.495 596 HA ALA 104 HA ALA 104 3.925 13.245 -8.341 597 HB1 ALA 104 HB1 ALA 104 4.931 10.709 -9.639 598 HB2 ALA 104 HB2 ALA 104 5.610 12.318 -9.892 599 HB3 ALA 104 HB3 ALA 104 3.958 11.968 -10.399 600 H LEU 105 HN LEU 105 4.157 9.834 -7.392 601 HA LEU 105 HA LEU 105 1.545 9.008 -7.881 602 HB2 LEU 105 HB2 LEU 105 3.603 7.658 -7.151 603 HB3 LEU 105 HB3 LEU 105 3.168 8.107 -5.513 604 HG LEU 105 HG LEU 105 0.951 7.019 -5.865 605 HD11 LEU 105 HD11 LEU 105 2.232 6.076 -8.425 606 HD12 LEU 105 HD12 LEU 105 0.831 7.137 -8.282 607 HD13 LEU 105 HD13 LEU 105 0.725 5.460 -7.751 608 HD21 LEU 105 HD21 LEU 105 3.362 5.254 -6.274 609 HD22 LEU 105 HD22 LEU 105 1.797 4.745 -5.641 610 HD23 LEU 105 HD23 LEU 105 2.792 5.876 -4.725 611 H CYS 106 HN CYS 106 2.906 10.535 -4.963 612 HA CYS 106 HA CYS 106 0.523 10.461 -3.444 613 HB2 CYS 106 HB2 CYS 106 2.852 12.389 -3.248 614 HB3 CYS 106 HB3 CYS 106 1.608 12.167 -2.024 615 HG CYS 106 HG CYS 106 2.966 9.257 -2.730 616 H ALA 107 HN ALA 107 1.916 12.910 -5.591 617 HA ALA 107 HA ALA 107 0.001 14.931 -5.163 618 HB1 ALA 107 HB1 ALA 107 0.815 15.905 -7.248 619 HB2 ALA 107 HB2 ALA 107 1.648 14.399 -7.634 620 HB3 ALA 107 HB3 ALA 107 2.152 15.353 -6.238 621 H LEU 108 HN LEU 108 -0.037 12.074 -7.186 622 HA LEU 108 HA LEU 108 -2.113 12.768 -8.938 623 HB2 LEU 108 HB2 LEU 108 -1.033 10.156 -7.947 624 HB3 LEU 108 HB3 LEU 108 -2.443 10.195 -8.984 625 HG LEU 108 HG LEU 108 0.263 11.321 -9.704 626 HD11 LEU 108 HD11 LEU 108 0.373 9.420 -11.260 627 HD12 LEU 108 HD12 LEU 108 -1.119 8.784 -10.568 628 HD13 LEU 108 HD13 LEU 108 0.334 8.904 -9.574 629 HD21 LEU 108 HD21 LEU 108 -1.520 12.519 -10.815 630 HD22 LEU 108 HD22 LEU 108 -2.271 11.002 -11.310 631 HD23 LEU 108 HD23 LEU 108 -0.704 11.467 -11.972 632 H GLY 109 HN GLY 109 -2.189 11.357 -5.693 633 HA2 GLY 109 HA2 GLY 109 -3.948 11.456 -4.170 634 HA3 GLY 109 HA1 GLY 109 -4.987 12.075 -5.445 635 H LYS 110 HN LYS 110 -6.061 10.269 -3.787 636 HA LYS 110 HA LYS 110 -5.748 7.561 -4.404 637 HB2 LYS 110 HB2 LYS 110 -6.971 8.321 -2.437 638 HB3 LYS 110 HB3 LYS 110 -8.221 9.020 -3.458 639 HG2 LYS 110 HG2 LYS 110 -8.897 6.845 -4.218 640 HG3 LYS 110 HG3 LYS 110 -7.550 6.086 -3.368 641 HD2 LYS 110 HD2 LYS 110 -9.529 5.775 -2.057 642 HD3 LYS 110 HD3 LYS 110 -8.504 6.948 -1.233 643 HE2 LYS 110 HE2 LYS 110 -9.857 8.770 -2.164 644 HE3 LYS 110 HE3 LYS 110 -10.890 7.588 -2.964 645 HZ1 LYS 110 HZ1 LYS 110 -10.517 7.850 -0.028 646 HZ2 LYS 110 HZ2 LYS 110 -11.509 6.715 -0.796 647 HZ3 LYS 110 HZ3 LYS 110 -11.873 8.363 -0.902 648 H GLU 111 HN GLU 111 -8.036 9.932 -5.778 649 HA GLU 111 HA GLU 111 -9.457 8.246 -7.472 650 HB2 GLU 111 HB2 GLU 111 -9.902 10.262 -8.844 651 HB3 GLU 111 HB3 GLU 111 -10.149 10.536 -7.127 652 HG2 GLU 111 HG2 GLU 111 -7.942 11.631 -7.016 653 HG3 GLU 111 HG3 GLU 111 -7.775 11.412 -8.756 654 H CYS 112 HN CYS 112 -6.460 10.053 -8.273 655 HA CYS 112 HA CYS 112 -6.262 8.997 -10.892 656 HB2 CYS 112 HB2 CYS 112 -4.236 10.268 -9.059 657 HB3 CYS 112 HB3 CYS 112 -3.836 9.741 -10.688 658 HG CYS 112 HG CYS 112 -6.130 12.144 -9.868 659 H PHE 113 HN PHE 113 -4.929 7.952 -7.775 660 HA PHE 113 HA PHE 113 -3.247 5.924 -8.763 661 HB2 PHE 113 HB2 PHE 113 -3.212 6.895 -6.440 662 HB3 PHE 113 HB3 PHE 113 -4.657 5.951 -6.089 663 HD1 PHE 113 HD1 PHE 113 -1.071 5.795 -6.827 664 HD2 PHE 113 HD2 PHE 113 -4.540 3.589 -5.733 665 HE1 PHE 113 HE1 PHE 113 0.344 3.874 -6.232 666 HE2 PHE 113 HE2 PHE 113 -3.133 1.664 -5.136 667 HZ PHE 113 HZ PHE 113 -0.685 1.804 -5.384 668 H LEU 114 HN LEU 114 -6.645 5.898 -7.734 669 HA LEU 114 HA LEU 114 -7.027 3.110 -8.053 670 HB2 LEU 114 HB2 LEU 114 -8.748 5.466 -7.602 671 HB3 LEU 114 HB3 LEU 114 -9.526 4.103 -8.381 672 HG LEU 114 HG LEU 114 -8.920 2.658 -6.500 673 HD11 LEU 114 HD11 LEU 114 -7.941 3.588 -4.473 674 HD12 LEU 114 HD12 LEU 114 -7.763 5.153 -5.266 675 HD13 LEU 114 HD13 LEU 114 -6.843 3.762 -5.842 676 HD21 LEU 114 HD21 LEU 114 -10.289 5.212 -5.665 677 HD22 LEU 114 HD22 LEU 114 -10.385 3.667 -4.818 678 HD23 LEU 114 HD23 LEU 114 -11.053 3.824 -6.442 679 H GLU 115 HN GLU 115 -6.955 5.753 -10.291 680 HA GLU 115 HA GLU 115 -8.324 4.384 -12.413 681 HB2 GLU 115 HB2 GLU 115 -6.602 6.863 -12.335 682 HB3 GLU 115 HB3 GLU 115 -7.302 6.238 -13.822 683 HG2 GLU 115 HG2 GLU 115 -9.522 6.569 -12.990 684 HG3 GLU 115 HG3 GLU 115 -8.907 7.005 -11.398 685 H LEU 116 HN LEU 116 -5.111 4.410 -11.143 686 HA LEU 116 HA LEU 116 -3.864 3.358 -13.540 687 HB2 LEU 116 HB2 LEU 116 -2.796 3.721 -10.738 688 HB3 LEU 116 HB3 LEU 116 -1.839 3.236 -12.123 689 HG LEU 116 HG LEU 116 -3.275 5.882 -11.896 690 HD11 LEU 116 HD11 LEU 116 -1.514 5.705 -10.217 691 HD12 LEU 116 HD12 LEU 116 -1.072 6.847 -11.486 692 HD13 LEU 116 HD13 LEU 116 -0.362 5.232 -11.466 693 HD21 LEU 116 HD21 LEU 116 -1.189 4.909 -13.843 694 HD22 LEU 116 HD22 LEU 116 -1.905 6.519 -13.803 695 HD23 LEU 116 HD23 LEU 116 -2.905 5.120 -14.193 696 H ALA 117 HN ALA 117 -5.002 2.176 -10.420 697 HA ALA 117 HA ALA 117 -4.264 -0.572 -11.202 698 HB1 ALA 117 HB1 ALA 117 -4.586 0.714 -8.510 699 HB2 ALA 117 HB2 ALA 117 -3.187 -0.131 -9.173 700 HB3 ALA 117 HB3 ALA 117 -4.626 -1.036 -8.712 701 HA PRO 118 HA PRO 118 -8.444 -1.871 -11.659 702 HB2 PRO 118 HB2 PRO 118 -8.441 -4.165 -10.067 703 HB3 PRO 118 HB3 PRO 118 -7.993 -4.081 -11.771 704 HG2 PRO 118 HG2 PRO 118 -6.264 -4.109 -9.355 705 HG3 PRO 118 HG3 PRO 118 -5.983 -4.831 -10.946 706 HD2 PRO 118 HD2 PRO 118 -4.739 -2.576 -10.184 707 HD3 PRO 118 HD3 PRO 118 -5.251 -2.834 -11.864 708 H ASP 119 HN ASP 119 -10.397 -2.564 -10.432 709 HA ASP 119 HA ASP 119 -11.110 -0.683 -8.517 710 HB2 ASP 119 HB2 ASP 119 -12.730 -1.739 -9.958 711 HB3 ASP 119 HB3 ASP 119 -12.410 -3.303 -9.215 712 H PHE 120 HN PHE 120 -9.503 -3.709 -7.966 713 HA PHE 120 HA PHE 120 -10.314 -3.497 -5.169 714 HB2 PHE 120 HB2 PHE 120 -9.395 -5.971 -6.637 715 HB3 PHE 120 HB3 PHE 120 -9.676 -5.917 -4.900 716 HD1 PHE 120 HD2 PHE 120 -11.933 -5.693 -4.009 717 HD2 PHE 120 HD1 PHE 120 -11.224 -5.964 -8.198 718 HE1 PHE 120 HE2 PHE 120 -14.317 -6.178 -4.378 719 HE2 PHE 120 HE1 PHE 120 -13.607 -6.448 -8.573 720 HZ PHE 120 HZ PHE 120 -15.156 -6.557 -6.662 721 H VAL 121 HN VAL 121 -7.435 -4.425 -7.076 722 HA VAL 121 HA VAL 121 -5.644 -4.459 -4.918 723 HB VAL 121 HB VAL 121 -3.882 -4.562 -6.421 724 HG11 VAL 121 HG11 VAL 121 -6.227 -5.488 -8.065 725 HG12 VAL 121 HG12 VAL 121 -5.482 -6.396 -6.752 726 HG13 VAL 121 HG13 VAL 121 -4.557 -6.033 -8.209 727 HG21 VAL 121 HG21 VAL 121 -5.544 -2.867 -8.246 728 HG22 VAL 121 HG22 VAL 121 -4.127 -3.747 -8.819 729 HG23 VAL 121 HG23 VAL 121 -3.956 -2.527 -7.557 730 H GLY 122 HN GLY 122 -6.790 -1.769 -6.884 731 HA2 GLY 122 HA2 GLY 122 -4.945 0.196 -6.251 732 HA3 GLY 122 HA1 GLY 122 -6.648 0.499 -6.561 733 H ASP 123 HN ASP 123 -7.642 -0.990 -4.297 734 HA ASP 123 HA ASP 123 -7.502 1.036 -2.317 735 HB2 ASP 123 HB2 ASP 123 -9.485 -0.420 -2.666 736 HB3 ASP 123 HB3 ASP 123 -8.562 -1.781 -2.035 737 H ILE 124 HN ILE 124 -6.241 -2.296 -2.417 738 HA ILE 124 HA ILE 124 -5.056 -2.345 0.106 739 HB ILE 124 HB ILE 124 -4.352 -3.813 -2.427 740 HG12 ILE 124 HG12 ILE 124 -5.174 -5.742 -0.881 741 HG13 ILE 124 HG13 ILE 124 -5.889 -4.449 0.073 742 HG21 ILE 124 HG21 ILE 124 -3.119 -4.153 0.302 743 HG22 ILE 124 HG22 ILE 124 -2.300 -3.659 -1.181 744 HG23 ILE 124 HG23 ILE 124 -2.943 -5.294 -1.031 745 HD11 ILE 124 HD11 ILE 124 -7.272 -3.779 -1.742 746 HD12 ILE 124 HD12 ILE 124 -7.424 -5.526 -1.559 747 HD13 ILE 124 HD13 ILE 124 -6.428 -4.857 -2.852 748 H LEU 125 HN LEU 125 -3.655 -1.371 -3.015 749 HA LEU 125 HA LEU 125 -1.061 -0.862 -1.965 750 HB2 LEU 125 HB2 LEU 125 -2.346 0.240 -4.480 751 HB3 LEU 125 HB3 LEU 125 -0.635 0.280 -4.103 752 HG LEU 125 HG LEU 125 -2.274 -2.209 -4.580 753 HD11 LEU 125 HD11 LEU 125 -0.183 -0.860 -6.277 754 HD12 LEU 125 HD12 LEU 125 -1.912 -0.940 -6.617 755 HD13 LEU 125 HD13 LEU 125 -0.942 -2.414 -6.622 756 HD21 LEU 125 HD21 LEU 125 -0.509 -2.648 -2.987 757 HD22 LEU 125 HD22 LEU 125 0.671 -1.859 -4.035 758 HD23 LEU 125 HD23 LEU 125 -0.097 -3.363 -4.547 759 H TRP 126 HN TRP 126 -3.641 1.456 -2.979 760 HA TRP 126 HA TRP 126 -2.254 3.727 -1.986 761 HB2 TRP 126 HB2 TRP 126 -3.953 4.421 -3.395 762 HB3 TRP 126 HB3 TRP 126 -5.060 3.154 -2.881 763 HD1 TRP 126 HD1 TRP 126 -4.074 6.738 -2.134 764 HE1 TRP 126 HE1 TRP 126 -5.736 7.740 -0.444 765 HE3 TRP 126 HE3 TRP 126 -6.614 2.486 -0.889 766 HZ2 TRP 126 HZ2 TRP 126 -7.844 6.840 1.203 767 HZ3 TRP 126 HZ3 TRP 126 -8.439 2.639 0.753 768 HH2 TRP 126 HH2 TRP 126 -9.039 4.772 1.777 769 H GLU 127 HN GLU 127 -4.396 1.432 -0.343 770 HA GLU 127 HA GLU 127 -4.864 2.955 1.980 771 HB2 GLU 127 HB2 GLU 127 -5.987 0.788 1.416 772 HB3 GLU 127 HB3 GLU 127 -4.498 -0.055 1.818 773 HG2 GLU 127 HG2 GLU 127 -4.665 0.555 4.099 774 HG3 GLU 127 HG3 GLU 127 -5.959 1.705 3.764 775 H HIS 128 HN HIS 128 -2.322 0.506 1.348 776 HA HIS 128 HA HIS 128 -0.868 1.120 3.722 777 HB2 HIS 128 HB2 HIS 128 -0.761 -1.082 2.568 778 HB3 HIS 128 HB3 HIS 128 0.086 -0.311 1.233 779 HD1 HIS 128 HD1 HIS 128 2.061 -1.989 1.728 780 HD2 HIS 128 HD2 HIS 128 1.288 0.766 4.742 781 HE1 HIS 128 HE1 HIS 128 4.082 -2.043 3.223 782 HE2 HIS 128 HE2 HIS 128 3.642 -0.280 4.967 783 H LEU 129 HN LEU 129 -0.839 2.295 0.434 784 HA LEU 129 HA LEU 129 1.677 3.523 0.347 785 HB2 LEU 129 HB2 LEU 129 0.190 3.168 -1.603 786 HB3 LEU 129 HB3 LEU 129 -0.878 4.415 -0.994 787 HG LEU 129 HG LEU 129 0.906 6.084 -1.277 788 HD11 LEU 129 HD11 LEU 129 2.844 4.654 -0.966 789 HD12 LEU 129 HD12 LEU 129 2.939 5.494 -2.513 790 HD13 LEU 129 HD13 LEU 129 2.471 3.794 -2.459 791 HD21 LEU 129 HD21 LEU 129 -0.703 5.681 -3.075 792 HD22 LEU 129 HD22 LEU 129 0.368 4.457 -3.757 793 HD23 LEU 129 HD23 LEU 129 0.875 6.145 -3.710 794 H GLU 130 HN GLU 130 -1.501 4.902 1.252 795 HA GLU 130 HA GLU 130 -0.465 7.433 1.913 796 HB2 GLU 130 HB2 GLU 130 -2.995 6.150 2.940 797 HB3 GLU 130 HB3 GLU 130 -2.612 7.863 3.014 798 HG2 GLU 130 HG2 GLU 130 -3.284 6.200 0.618 799 HG3 GLU 130 HG3 GLU 130 -4.097 7.636 1.227 800 H ILE 131 HN ILE 131 -0.908 4.467 3.706 801 HA ILE 131 HA ILE 131 -0.495 5.443 6.300 802 HB ILE 131 HB ILE 131 -0.009 2.737 5.067 803 HG12 ILE 131 HG12 ILE 131 -2.016 3.615 7.147 804 HG13 ILE 131 HG13 ILE 131 -2.348 3.612 5.417 805 HG21 ILE 131 HG21 ILE 131 0.338 3.503 7.960 806 HG22 ILE 131 HG22 ILE 131 1.597 2.949 6.857 807 HG23 ILE 131 HG23 ILE 131 0.305 1.852 7.340 808 HD11 ILE 131 HD11 ILE 131 -3.254 1.636 6.456 809 HD12 ILE 131 HD12 ILE 131 -1.671 1.220 7.109 810 HD13 ILE 131 HD13 ILE 131 -1.940 1.195 5.366 811 H LEU 132 HN LEU 132 1.759 4.468 3.767 812 HA LEU 132 HA LEU 132 4.130 4.523 5.286 813 HB2 LEU 132 HB2 LEU 132 3.626 5.015 2.353 814 HB3 LEU 132 HB3 LEU 132 5.233 4.943 3.049 815 HG LEU 132 HG LEU 132 3.240 2.677 3.138 816 HD11 LEU 132 HD11 LEU 132 3.933 3.154 0.843 817 HD12 LEU 132 HD12 LEU 132 4.607 1.628 1.417 818 HD13 LEU 132 HD13 LEU 132 5.624 3.066 1.336 819 HD21 LEU 132 HD21 LEU 132 5.157 1.338 3.826 820 HD22 LEU 132 HD22 LEU 132 4.867 2.654 4.962 821 HD23 LEU 132 HD23 LEU 132 6.183 2.772 3.793 822 H GLN 133 HN GLN 133 2.398 7.049 3.498 823 HA GLN 133 HA GLN 133 4.263 9.118 3.773 824 HB2 GLN 133 HB2 GLN 133 1.253 9.378 3.699 825 HB3 GLN 133 HB3 GLN 133 2.420 10.635 3.309 826 HG2 GLN 133 HG2 GLN 133 3.201 9.313 1.407 827 HG3 GLN 133 HG3 GLN 133 2.018 8.065 1.799 828 HE21 GLN 133 HE21 GLN 133 1.026 8.261 -0.203 829 HE22 GLN 133 HE22 GLN 133 0.026 9.610 -0.603 830 H LYS 134 HN LYS 134 1.410 8.375 5.778 831 HA LYS 134 HA LYS 134 1.926 10.327 7.751 832 HB2 LYS 134 HB2 LYS 134 0.320 9.040 9.143 833 HB3 LYS 134 HB3 LYS 134 -0.288 9.409 7.535 834 HG2 LYS 134 HG2 LYS 134 0.282 7.131 6.816 835 HG3 LYS 134 HG3 LYS 134 0.835 6.768 8.451 836 HD2 LYS 134 HD2 LYS 134 -1.961 7.674 7.777 837 HD3 LYS 134 HD3 LYS 134 -1.485 5.983 7.935 838 HE2 LYS 134 HE2 LYS 134 -0.764 6.433 10.251 839 HE3 LYS 134 HE3 LYS 134 -1.319 8.098 10.082 840 HZ1 LYS 134 HZ1 LYS 134 -3.031 5.678 9.872 841 HZ2 LYS 134 HZ2 LYS 134 -3.562 7.278 9.720 842 HZ3 LYS 134 HZ3 LYS 134 -2.960 6.725 11.200 843 H GLU 135 HN GLU 135 3.004 7.016 7.340 844 HA GLU 135 HA GLU 135 4.014 6.557 9.926 845 HB2 GLU 135 HB2 GLU 135 3.662 4.772 8.252 846 HB3 GLU 135 HB3 GLU 135 4.974 5.428 7.284 847 HG2 GLU 135 HG2 GLU 135 5.864 3.585 8.438 848 HG3 GLU 135 HG3 GLU 135 6.482 5.017 9.259 849 H ASP 136 HN ASP 136 5.194 8.248 10.723 850 HA ASP 136 HA ASP 136 6.984 9.591 11.111 851 HB2 ASP 136 HB2 ASP 136 8.425 7.646 9.288 852 HB3 ASP 136 HB3 ASP 136 9.198 8.814 10.355 853 H VAL 137 HN VAL 137 5.508 10.984 9.701 854 HA VAL 137 HA VAL 137 5.862 11.570 7.054 855 HB VAL 137 HB VAL 137 5.211 13.941 7.615 856 HG11 VAL 137 HG11 VAL 137 3.542 12.257 7.117 857 HG12 VAL 137 HG12 VAL 137 2.962 13.325 8.395 858 HG13 VAL 137 HG13 VAL 137 3.555 11.713 8.795 859 HG21 VAL 137 HG21 VAL 137 5.218 12.859 10.434 860 HG22 VAL 137 HG22 VAL 137 4.513 14.396 9.935 861 HG23 VAL 137 HG23 VAL 137 6.251 14.139 9.798 862 H LYS 138 HN LYS 138 7.520 12.164 5.859 863 HA LYS 138 HA LYS 138 9.411 14.144 6.793 864 HB2 LYS 138 HB2 LYS 138 10.293 11.937 7.611 865 HB3 LYS 138 HB3 LYS 138 10.429 11.431 5.932 866 HG2 LYS 138 HG2 LYS 138 12.006 13.249 5.508 867 HG3 LYS 138 HG3 LYS 138 11.865 13.762 7.190 868 HD2 LYS 138 HD2 LYS 138 12.877 11.075 6.254 869 HD3 LYS 138 HD3 LYS 138 13.885 12.416 6.799 870 HE2 LYS 138 HE2 LYS 138 11.804 11.005 8.467 871 HE3 LYS 138 HE3 LYS 138 13.540 10.718 8.551 872 HZ1 LYS 138 HZ1 LYS 138 12.887 12.200 10.299 873 HZ2 LYS 138 HZ2 LYS 138 12.136 13.251 9.208 874 HZ3 LYS 138 HZ3 LYS 138 13.818 13.067 9.183 Start of MODEL 5 1 H HIS 28 H1 HIS 28 -3.825 14.358 12.686 2 HA HIS 28 HA HIS 28 -3.755 16.623 12.118 3 HB2 HIS 28 HB2 HIS 28 -2.781 17.421 10.015 4 HB3 HIS 28 HB3 HIS 28 -1.577 16.574 10.977 5 HD1 HIS 28 HD1 HIS 28 -3.015 16.692 7.652 6 HD2 HIS 28 HD2 HIS 28 -1.105 13.835 9.986 7 HE1 HIS 28 HE1 HIS 28 -2.265 14.908 6.049 8 HE2 HIS 28 HE2 HIS 28 -1.220 13.133 7.500 9 H MET 29 HN MET 29 -5.664 14.573 11.949 10 HA MET 29 HA MET 29 -7.684 14.058 11.053 11 HB2 MET 29 HB2 MET 29 -7.806 16.610 11.313 12 HB3 MET 29 HB3 MET 29 -7.549 16.683 9.576 13 HG2 MET 29 HG2 MET 29 -9.896 16.852 10.069 14 HG3 MET 29 HG3 MET 29 -9.570 15.335 9.233 15 HE1 MET 29 HE1 MET 29 -12.288 15.956 10.820 16 HE2 MET 29 HE2 MET 29 -12.534 14.406 11.626 17 HE3 MET 29 HE3 MET 29 -11.966 14.452 9.956 18 H GLU 30 HN GLU 30 -5.536 12.937 9.711 19 HA GLU 30 HA GLU 30 -6.011 13.262 6.853 20 HB2 GLU 30 HB2 GLU 30 -3.705 12.953 8.009 21 HB3 GLU 30 HB3 GLU 30 -4.138 11.252 8.074 22 HG2 GLU 30 HG2 GLU 30 -3.998 12.899 5.557 23 HG3 GLU 30 HG3 GLU 30 -2.723 11.835 6.143 24 H CYS 31 HN CYS 31 -6.037 10.616 9.249 25 HA CYS 31 HA CYS 31 -8.151 9.312 7.676 26 HB2 CYS 31 HB2 CYS 31 -6.013 8.176 7.209 27 HB3 CYS 31 HB3 CYS 31 -5.787 7.900 8.932 28 HG CYS 31 HG CYS 31 -8.574 6.684 7.416 29 H ALA 32 HN ALA 32 -9.757 8.330 8.841 30 HA ALA 32 HA ALA 32 -9.851 8.980 11.678 31 HB1 ALA 32 HB1 ALA 32 -11.782 9.556 10.332 32 HB2 ALA 32 HB2 ALA 32 -12.221 8.328 11.520 33 HB3 ALA 32 HB3 ALA 32 -11.967 7.874 9.834 34 H ASP 33 HN ASP 33 -8.937 7.554 13.015 35 HA ASP 33 HA ASP 33 -9.851 4.809 13.005 36 HB2 ASP 33 HB2 ASP 33 -7.869 4.850 11.454 37 HB3 ASP 33 HB3 ASP 33 -6.884 5.356 12.822 38 H VAL 34 HN VAL 34 -9.880 3.938 15.017 39 HA VAL 34 HA VAL 34 -8.457 5.359 17.165 40 HB VAL 34 HB VAL 34 -11.322 4.403 17.336 41 HG11 VAL 34 HG11 VAL 34 -10.165 4.188 19.459 42 HG12 VAL 34 HG12 VAL 34 -11.324 5.515 19.529 43 HG13 VAL 34 HG13 VAL 34 -9.604 5.856 19.346 44 HG21 VAL 34 HG21 VAL 34 -10.208 7.206 17.222 45 HG22 VAL 34 HG22 VAL 34 -11.895 6.786 17.518 46 HG23 VAL 34 HG23 VAL 34 -11.151 6.403 15.965 47 HA PRO 35 HA PRO 35 -7.226 1.170 18.109 48 HB2 PRO 35 HB2 PRO 35 -5.860 1.702 20.387 49 HB3 PRO 35 HB3 PRO 35 -5.221 2.080 18.783 50 HG2 PRO 35 HG2 PRO 35 -6.537 3.884 20.773 51 HG3 PRO 35 HG3 PRO 35 -5.123 4.188 19.749 52 HD2 PRO 35 HD2 PRO 35 -7.620 5.109 19.167 53 HD3 PRO 35 HD3 PRO 35 -6.407 4.735 17.927 54 H LEU 36 HN LEU 36 -8.628 -0.278 18.895 55 HA LEU 36 HA LEU 36 -9.565 -0.040 21.640 56 HB2 LEU 36 HB2 LEU 36 -11.265 1.128 20.283 57 HB3 LEU 36 HB3 LEU 36 -11.483 -0.323 19.324 58 HG LEU 36 HG LEU 36 -12.223 -1.501 21.421 59 HD11 LEU 36 HD11 LEU 36 -12.244 1.307 22.521 60 HD12 LEU 36 HD12 LEU 36 -11.204 -0.015 23.052 61 HD13 LEU 36 HD13 LEU 36 -12.947 -0.111 23.300 62 HD21 LEU 36 HD21 LEU 36 -13.851 -0.756 19.812 63 HD22 LEU 36 HD22 LEU 36 -13.805 0.882 20.465 64 HD23 LEU 36 HD23 LEU 36 -14.460 -0.438 21.436 65 H LEU 37 HN LEU 37 -9.878 -1.976 22.627 66 HA LEU 37 HA LEU 37 -9.153 -4.355 21.110 67 HB2 LEU 37 HB2 LEU 37 -9.376 -3.725 24.036 68 HB3 LEU 37 HB3 LEU 37 -9.308 -5.390 23.488 69 HG LEU 37 HG LEU 37 -7.192 -3.308 22.931 70 HD11 LEU 37 HD11 LEU 37 -5.841 -4.511 24.557 71 HD12 LEU 37 HD12 LEU 37 -7.188 -5.601 24.890 72 HD13 LEU 37 HD13 LEU 37 -7.314 -3.892 25.306 73 HD21 LEU 37 HD21 LEU 37 -7.276 -4.994 21.199 74 HD22 LEU 37 HD22 LEU 37 -7.289 -6.278 22.407 75 HD23 LEU 37 HD23 LEU 37 -5.860 -5.262 22.215 76 H TPO 38 HN TPO 38 -11.116 -4.461 19.894 77 HA TPO 38 HA TPO 38 -13.388 -5.526 21.437 78 HB TPO 38 HB TPO 38 -14.015 -3.416 20.428 79 HG21 TPO 38 HG21 TPO 38 -13.352 -2.686 18.444 80 HG22 TPO 38 HG22 TPO 38 -13.956 -4.138 17.645 81 HG23 TPO 38 HG23 TPO 38 -12.329 -4.117 18.322 82 HA PRO 39 HA PRO 39 -11.584 -9.184 19.247 83 HB2 PRO 39 HB2 PRO 39 -13.794 -10.231 20.978 84 HB3 PRO 39 HB3 PRO 39 -12.195 -10.915 20.662 85 HG2 PRO 39 HG2 PRO 39 -12.677 -9.617 22.929 86 HG3 PRO 39 HG3 PRO 39 -11.129 -9.429 22.085 87 HD2 PRO 39 HD2 PRO 39 -13.407 -7.532 22.299 88 HD3 PRO 39 HD3 PRO 39 -11.674 -7.204 22.121 89 H SER 40 HN SER 40 -12.289 -8.857 17.192 90 HA SER 40 HA SER 40 -14.562 -10.245 16.278 91 HB2 SER 40 HB2 SER 40 -15.908 -8.362 15.429 92 HB3 SER 40 HB3 SER 40 -15.787 -8.307 17.186 93 HG SER 40 HG SER 40 -14.539 -6.563 17.067 94 H SEP 41 HN SEP 41 -15.043 -9.239 13.839 95 HA SEP 41 HA SEP 41 -12.876 -9.945 12.289 96 HB2 SEP 41 HB2 SEP 41 -15.486 -9.167 11.785 97 HB3 SEP 41 HB3 SEP 41 -14.527 -7.924 10.976 98 H LYS 42 HN LYS 42 -13.675 -6.768 13.580 99 HA LYS 42 HA LYS 42 -11.938 -5.190 12.058 100 HB2 LYS 42 HB2 LYS 42 -12.843 -4.863 14.921 101 HB3 LYS 42 HB3 LYS 42 -11.980 -3.628 14.014 102 HG2 LYS 42 HG2 LYS 42 -13.818 -3.563 12.386 103 HG3 LYS 42 HG3 LYS 42 -14.688 -4.765 13.342 104 HD2 LYS 42 HD2 LYS 42 -14.761 -3.237 15.232 105 HD3 LYS 42 HD3 LYS 42 -13.827 -2.044 14.327 106 HE2 LYS 42 HE2 LYS 42 -15.641 -1.916 12.668 107 HE3 LYS 42 HE3 LYS 42 -16.575 -3.072 13.616 108 HZ1 LYS 42 HZ1 LYS 42 -17.263 -0.801 14.058 109 HZ2 LYS 42 HZ2 LYS 42 -15.695 -0.390 14.543 110 HZ3 LYS 42 HZ3 LYS 42 -16.596 -1.498 15.450 111 H GLU 43 HN GLU 43 -11.326 -7.044 15.016 112 HA GLU 43 HA GLU 43 -8.711 -6.128 15.494 113 HB2 GLU 43 HB2 GLU 43 -9.844 -8.855 16.152 114 HB3 GLU 43 HB3 GLU 43 -8.433 -8.111 16.889 115 HG2 GLU 43 HG2 GLU 43 -11.263 -7.104 17.089 116 HG3 GLU 43 HG3 GLU 43 -10.388 -7.986 18.337 117 H MET 44 HN MET 44 -9.925 -8.760 13.461 118 HA MET 44 HA MET 44 -7.284 -9.703 12.795 119 HB2 MET 44 HB2 MET 44 -10.056 -10.423 11.909 120 HB3 MET 44 HB3 MET 44 -8.664 -11.001 11.004 121 HG2 MET 44 HG2 MET 44 -9.188 -12.726 12.485 122 HG3 MET 44 HG3 MET 44 -7.797 -11.918 13.202 123 HE1 MET 44 HE1 MET 44 -11.604 -12.660 13.412 124 HE2 MET 44 HE2 MET 44 -11.630 -10.917 13.147 125 HE3 MET 44 HE3 MET 44 -12.145 -11.580 14.698 126 H MET 45 HN MET 45 -9.585 -7.441 11.435 127 HA MET 45 HA MET 45 -8.654 -7.331 8.800 128 HB2 MET 45 HB2 MET 45 -9.985 -5.294 10.570 129 HB3 MET 45 HB3 MET 45 -9.508 -4.902 8.924 130 HG2 MET 45 HG2 MET 45 -10.930 -6.660 8.060 131 HG3 MET 45 HG3 MET 45 -11.363 -7.142 9.698 132 HE1 MET 45 HE1 MET 45 -10.928 -3.489 8.251 133 HE2 MET 45 HE2 MET 45 -12.584 -3.135 7.758 134 HE3 MET 45 HE3 MET 45 -11.667 -4.394 6.930 135 H SER 46 HN SER 46 -7.641 -5.437 11.649 136 HA SER 46 HA SER 46 -5.555 -4.124 10.156 137 HB2 SER 46 HB2 SER 46 -6.106 -4.167 13.143 138 HB3 SER 46 HB3 SER 46 -4.925 -3.128 12.345 139 HG SER 46 HG SER 46 -7.236 -2.366 12.799 140 H GLN 47 HN GLN 47 -5.865 -6.966 12.144 141 HA GLN 47 HA GLN 47 -3.289 -7.476 12.989 142 HB2 GLN 47 HB2 GLN 47 -5.235 -8.860 13.565 143 HB3 GLN 47 HB3 GLN 47 -5.297 -9.461 11.914 144 HG2 GLN 47 HG2 GLN 47 -3.079 -10.468 12.213 145 HG3 GLN 47 HG3 GLN 47 -3.060 -9.896 13.881 146 HE21 GLN 47 HE21 GLN 47 -4.402 -10.880 15.404 147 HE22 GLN 47 HE22 GLN 47 -5.153 -12.408 15.112 148 H ALA 48 HN ALA 48 -4.756 -8.447 9.884 149 HA ALA 48 HA ALA 48 -2.408 -9.579 8.801 150 HB1 ALA 48 HB1 ALA 48 -3.595 -9.616 6.695 151 HB2 ALA 48 HB2 ALA 48 -4.786 -8.473 7.317 152 HB3 ALA 48 HB3 ALA 48 -4.679 -10.096 7.999 153 H LEU 49 HN LEU 49 -3.904 -6.377 8.327 154 HA LEU 49 HA LEU 49 -2.154 -5.353 6.436 155 HB2 LEU 49 HB2 LEU 49 -3.565 -3.923 8.687 156 HB3 LEU 49 HB3 LEU 49 -2.773 -3.114 7.349 157 HG LEU 49 HG LEU 49 -5.108 -5.008 7.067 158 HD11 LEU 49 HD11 LEU 49 -6.424 -3.004 6.594 159 HD12 LEU 49 HD12 LEU 49 -5.025 -1.997 6.965 160 HD13 LEU 49 HD13 LEU 49 -5.766 -2.976 8.230 161 HD21 LEU 49 HD21 LEU 49 -3.722 -3.208 5.083 162 HD22 LEU 49 HD22 LEU 49 -5.214 -4.098 4.779 163 HD23 LEU 49 HD23 LEU 49 -3.714 -4.972 5.089 164 H LYS 50 HN LYS 50 -1.890 -5.198 9.984 165 HA LYS 50 HA LYS 50 0.564 -3.764 9.982 166 HB2 LYS 50 HB2 LYS 50 -0.841 -5.362 12.115 167 HB3 LYS 50 HB3 LYS 50 0.648 -4.472 12.403 168 HG2 LYS 50 HG2 LYS 50 -0.424 -2.388 11.926 169 HG3 LYS 50 HG3 LYS 50 -1.891 -3.210 11.390 170 HD2 LYS 50 HD2 LYS 50 -2.246 -4.066 13.647 171 HD3 LYS 50 HD3 LYS 50 -0.759 -3.283 14.187 172 HE2 LYS 50 HE2 LYS 50 -1.694 -1.102 13.698 173 HE3 LYS 50 HE3 LYS 50 -3.151 -1.845 13.040 174 HZ1 LYS 50 HZ1 LYS 50 -2.240 -2.059 15.860 175 HZ2 LYS 50 HZ2 LYS 50 -3.657 -2.728 15.224 176 HZ3 LYS 50 HZ3 LYS 50 -3.478 -1.048 15.305 177 H ALA 51 HN ALA 51 -0.251 -7.201 10.258 178 HA ALA 51 HA ALA 51 2.327 -8.142 10.870 179 HB1 ALA 51 HB1 ALA 51 0.303 -9.507 11.123 180 HB2 ALA 51 HB2 ALA 51 1.521 -10.330 10.148 181 HB3 ALA 51 HB3 ALA 51 0.130 -9.576 9.368 182 H THR 52 HN THR 52 0.744 -7.504 7.763 183 HA THR 52 HA THR 52 2.733 -8.641 6.112 184 HB THR 52 HB THR 52 0.884 -6.354 5.397 185 HG1 THR 52 HG1 THR 52 -0.640 -7.802 5.610 186 HG21 THR 52 HG21 THR 52 2.648 -6.721 3.762 187 HG22 THR 52 HG22 THR 52 1.100 -7.260 3.115 188 HG23 THR 52 HG23 THR 52 2.266 -8.441 3.708 189 H PHE 53 HN PHE 53 2.259 -5.332 7.334 190 HA PHE 53 HA PHE 53 4.203 -3.966 5.977 191 HB2 PHE 53 HB2 PHE 53 3.484 -3.659 8.900 192 HB3 PHE 53 HB3 PHE 53 4.369 -2.473 7.948 193 HD1 PHE 53 HD1 PHE 53 2.563 -3.091 5.413 194 HD2 PHE 53 HD2 PHE 53 1.783 -2.018 9.458 195 HE1 PHE 53 HE1 PHE 53 0.438 -2.064 4.727 196 HE2 PHE 53 HE2 PHE 53 -0.346 -0.990 8.776 197 HZ PHE 53 HZ PHE 53 -1.021 -1.014 6.408 198 H SER 54 HN SER 54 4.691 -6.158 8.723 199 HA SER 54 HA SER 54 7.366 -5.556 9.285 200 HB2 SER 54 HB2 SER 54 5.953 -8.232 9.488 201 HB3 SER 54 HB3 SER 54 7.481 -7.823 10.265 202 HG SER 54 HG SER 54 6.445 -6.697 11.728 203 H GLY 55 HN GLY 55 5.953 -7.590 6.765 204 HA2 GLY 55 HA2 GLY 55 8.471 -8.710 5.930 205 HA3 GLY 55 HA1 GLY 55 6.938 -8.830 5.078 206 H PHE 56 HN PHE 56 7.108 -5.670 5.570 207 HA PHE 56 HA PHE 56 8.130 -5.141 2.907 208 HB2 PHE 56 HB2 PHE 56 6.028 -4.057 3.820 209 HB3 PHE 56 HB3 PHE 56 7.062 -3.123 4.892 210 HD1 PHE 56 HD1 PHE 56 7.702 -4.023 1.347 211 HD2 PHE 56 HD2 PHE 56 6.740 -0.943 4.124 212 HE1 PHE 56 HE1 PHE 56 8.014 -2.340 -0.418 213 HE2 PHE 56 HE2 PHE 56 7.052 0.745 2.362 214 HZ PHE 56 HZ PHE 56 7.691 0.047 0.087 215 H THR 57 HN THR 57 8.795 -4.047 6.230 216 HA THR 57 HA THR 57 11.034 -2.476 5.699 217 HB THR 57 HB THR 57 10.481 -4.135 8.169 218 HG1 THR 57 HG1 THR 57 8.863 -2.725 8.199 219 HG21 THR 57 HG21 THR 57 11.931 -2.546 9.333 220 HG22 THR 57 HG22 THR 57 12.279 -1.735 7.805 221 HG23 THR 57 HG23 THR 57 12.812 -3.397 8.063 222 H LYS 58 HN LYS 58 10.773 -5.964 6.152 223 HA LYS 58 HA LYS 58 13.519 -6.545 6.311 224 HB2 LYS 58 HB2 LYS 58 11.239 -8.211 5.228 225 HB3 LYS 58 HB3 LYS 58 12.858 -8.828 5.532 226 HG2 LYS 58 HG2 LYS 58 12.631 -8.393 7.890 227 HG3 LYS 58 HG3 LYS 58 11.065 -7.624 7.629 228 HD2 LYS 58 HD2 LYS 58 10.151 -9.743 6.826 229 HD3 LYS 58 HD3 LYS 58 11.722 -10.514 7.047 230 HE2 LYS 58 HE2 LYS 58 10.364 -11.082 8.926 231 HE3 LYS 58 HE3 LYS 58 11.579 -9.929 9.474 232 HZ1 LYS 58 HZ1 LYS 58 9.928 -8.175 9.351 233 HZ2 LYS 58 HZ2 LYS 58 9.384 -9.420 10.358 234 HZ3 LYS 58 HZ3 LYS 58 8.763 -9.267 8.793 235 H GLU 59 HN GLU 59 11.417 -5.855 3.623 236 HA GLU 59 HA GLU 59 13.362 -6.613 1.608 237 HB2 GLU 59 HB2 GLU 59 11.020 -6.944 1.110 238 HB3 GLU 59 HB3 GLU 59 10.652 -5.267 1.480 239 HG2 GLU 59 HG2 GLU 59 12.581 -5.888 -0.702 240 HG3 GLU 59 HG3 GLU 59 10.854 -6.081 -0.990 241 H GLN 60 HN GLN 60 11.973 -3.657 2.985 242 HA GLN 60 HA GLN 60 13.194 -1.751 1.378 243 HB2 GLN 60 HB2 GLN 60 12.556 -1.531 4.322 244 HB3 GLN 60 HB3 GLN 60 12.796 -0.186 3.215 245 HG2 GLN 60 HG2 GLN 60 10.685 -2.210 2.653 246 HG3 GLN 60 HG3 GLN 60 10.398 -0.951 3.848 247 HE21 GLN 60 HE21 GLN 60 10.356 1.223 3.164 248 HE22 GLN 60 HE22 GLN 60 10.083 1.636 1.511 249 H GLN 61 HN GLN 61 14.519 -3.583 4.060 250 HA GLN 61 HA GLN 61 16.885 -1.926 4.283 251 HB2 GLN 61 HB2 GLN 61 17.603 -3.446 5.976 252 HB3 GLN 61 HB3 GLN 61 15.876 -3.213 6.200 253 HG2 GLN 61 HG2 GLN 61 15.462 -5.339 5.044 254 HG3 GLN 61 HG3 GLN 61 17.200 -5.578 4.891 255 HE21 GLN 61 HE21 GLN 61 15.277 -7.268 6.215 256 HE22 GLN 61 HE22 GLN 61 15.757 -7.368 7.872 257 H ARG 62 HN ARG 62 16.037 -4.977 2.730 258 HA ARG 62 HA ARG 62 18.678 -5.729 2.029 259 HB2 ARG 62 HB2 ARG 62 16.016 -6.483 0.815 260 HB3 ARG 62 HB3 ARG 62 17.546 -7.235 0.380 261 HG2 ARG 62 HG2 ARG 62 17.799 -8.197 2.514 262 HG3 ARG 62 HG3 ARG 62 16.527 -7.188 3.204 263 HD2 ARG 62 HD2 ARG 62 14.918 -8.329 1.655 264 HD3 ARG 62 HD3 ARG 62 16.218 -9.441 1.229 265 HE ARG 62 HE ARG 62 16.211 -9.742 3.847 266 HH11 ARG 62 HH11 ARG 62 13.468 -9.544 1.672 267 HH12 ARG 62 HH12 ARG 62 12.449 -10.518 2.677 268 HH21 ARG 62 HH21 ARG 62 14.860 -11.019 5.162 269 HH22 ARG 62 HH22 ARG 62 13.239 -11.355 4.657 270 H LEU 63 HN LEU 63 16.197 -3.828 0.356 271 HA LEU 63 HA LEU 63 17.945 -3.435 -1.956 272 HB2 LEU 63 HB2 LEU 63 15.082 -2.716 -1.376 273 HB3 LEU 63 HB3 LEU 63 15.931 -2.144 -2.799 274 HG LEU 63 HG LEU 63 16.366 -4.588 -3.358 275 HD11 LEU 63 HD11 LEU 63 14.756 -6.192 -2.395 276 HD12 LEU 63 HD12 LEU 63 14.265 -4.961 -1.232 277 HD13 LEU 63 HD13 LEU 63 15.915 -5.584 -1.214 278 HD21 LEU 63 HD21 LEU 63 13.539 -3.545 -3.325 279 HD22 LEU 63 HD22 LEU 63 14.117 -4.888 -4.312 280 HD23 LEU 63 HD23 LEU 63 14.753 -3.264 -4.574 281 H GLY 64 HN GLY 64 16.668 -1.645 0.804 282 HA2 GLY 64 HA2 GLY 64 17.917 0.217 1.670 283 HA3 GLY 64 HA1 GLY 64 18.416 0.597 0.031 284 H ILE 65 HN ILE 65 15.218 -0.146 -0.204 285 HA ILE 65 HA ILE 65 14.349 2.414 -0.835 286 HB ILE 65 HB ILE 65 12.599 0.173 0.187 287 HG12 ILE 65 HG12 ILE 65 13.486 0.804 -2.639 288 HG13 ILE 65 HG13 ILE 65 14.009 -0.577 -1.681 289 HG21 ILE 65 HG21 ILE 65 10.835 1.249 -1.121 290 HG22 ILE 65 HG22 ILE 65 11.953 2.536 -1.572 291 HG23 ILE 65 HG23 ILE 65 11.473 2.336 0.112 292 HD11 ILE 65 HD11 ILE 65 11.223 -0.034 -2.676 293 HD12 ILE 65 HD12 ILE 65 11.681 -1.378 -1.631 294 HD13 ILE 65 HD13 ILE 65 12.340 -1.266 -3.262 295 HA PRO 66 HA PRO 66 13.901 4.173 3.239 296 HB2 PRO 66 HB2 PRO 66 13.033 6.606 2.513 297 HB3 PRO 66 HB3 PRO 66 14.696 6.087 2.217 298 HG2 PRO 66 HG2 PRO 66 12.377 6.177 0.328 299 HG3 PRO 66 HG3 PRO 66 14.060 6.661 0.055 300 HD2 PRO 66 HD2 PRO 66 13.011 4.258 -0.748 301 HD3 PRO 66 HD3 PRO 66 14.730 4.519 -0.392 302 H LYS 67 HN LYS 67 12.172 5.379 4.495 303 HA LYS 67 HA LYS 67 9.549 4.216 3.885 304 HB2 LYS 67 HB2 LYS 67 10.703 5.315 6.455 305 HB3 LYS 67 HB3 LYS 67 9.044 4.762 6.282 306 HG2 LYS 67 HG2 LYS 67 11.448 3.025 5.776 307 HG3 LYS 67 HG3 LYS 67 10.593 3.110 7.317 308 HD2 LYS 67 HD2 LYS 67 8.521 2.410 6.172 309 HD3 LYS 67 HD3 LYS 67 9.430 2.254 4.668 310 HE2 LYS 67 HE2 LYS 67 10.844 0.548 5.688 311 HE3 LYS 67 HE3 LYS 67 9.969 0.721 7.209 312 HZ1 LYS 67 HZ1 LYS 67 7.967 -0.052 6.121 313 HZ2 LYS 67 HZ2 LYS 67 9.203 -1.189 5.926 314 HZ3 LYS 67 HZ3 LYS 67 8.777 -0.175 4.642 315 H ASP 68 HN ASP 68 10.096 6.315 2.278 316 HA ASP 68 HA ASP 68 8.237 8.357 3.257 317 HB2 ASP 68 HB2 ASP 68 10.926 8.972 2.014 318 HB3 ASP 68 HB3 ASP 68 9.681 10.162 2.374 319 HA PRO 69 HA PRO 69 6.752 7.167 -0.866 320 HB2 PRO 69 HB2 PRO 69 4.411 8.584 -0.631 321 HB3 PRO 69 HB3 PRO 69 4.640 6.942 -0.023 322 HG2 PRO 69 HG2 PRO 69 4.757 9.542 1.446 323 HG3 PRO 69 HG3 PRO 69 4.038 8.000 1.947 324 HD2 PRO 69 HD2 PRO 69 6.431 8.822 2.866 325 HD3 PRO 69 HD3 PRO 69 6.077 7.108 2.572 326 H ARG 70 HN ARG 70 6.715 10.472 0.500 327 HA ARG 70 HA ARG 70 6.525 11.747 -2.049 328 HB2 ARG 70 HB2 ARG 70 7.526 12.839 0.593 329 HB3 ARG 70 HB3 ARG 70 7.170 13.806 -0.831 330 HG2 ARG 70 HG2 ARG 70 5.186 14.098 0.169 331 HG3 ARG 70 HG3 ARG 70 4.818 12.511 -0.509 332 HD2 ARG 70 HD2 ARG 70 5.384 11.429 1.553 333 HD3 ARG 70 HD3 ARG 70 6.006 12.934 2.228 334 HE ARG 70 HE ARG 70 3.208 12.952 1.465 335 HH11 ARG 70 HH11 ARG 70 5.531 12.495 4.047 336 HH12 ARG 70 HH12 ARG 70 4.376 12.789 5.301 337 HH21 ARG 70 HH21 ARG 70 1.693 13.341 3.127 338 HH22 ARG 70 HH22 ARG 70 2.200 13.267 4.782 339 H GLN 71 HN GLN 71 9.164 10.627 -0.036 340 HA GLN 71 HA GLN 71 11.145 11.687 -1.908 341 HB2 GLN 71 HB2 GLN 71 11.392 10.407 0.812 342 HB3 GLN 71 HB3 GLN 71 12.781 10.780 -0.195 343 HG2 GLN 71 HG2 GLN 71 12.597 12.552 1.326 344 HG3 GLN 71 HG3 GLN 71 11.980 13.168 -0.205 345 HE21 GLN 71 HE21 GLN 71 11.081 12.002 2.981 346 HE22 GLN 71 HE22 GLN 71 9.522 12.745 3.017 347 H TRP 72 HN TRP 72 9.509 9.715 -2.963 348 HA TRP 72 HA TRP 72 11.295 7.362 -3.093 349 HB2 TRP 72 HB2 TRP 72 8.364 7.660 -2.957 350 HB3 TRP 72 HB3 TRP 72 8.907 6.547 -4.203 351 HD1 TRP 72 HD1 TRP 72 11.157 6.539 -1.209 352 HE1 TRP 72 HE1 TRP 72 10.719 4.427 0.194 353 HE3 TRP 72 HE3 TRP 72 6.859 4.948 -3.465 354 HZ2 TRP 72 HZ2 TRP 72 8.798 2.360 0.325 355 HZ3 TRP 72 HZ3 TRP 72 5.784 2.895 -2.642 356 HH2 TRP 72 HH2 TRP 72 6.735 1.631 -0.787 357 H THR 73 HN THR 73 11.162 6.210 -5.280 358 HA THR 73 HA THR 73 10.679 8.052 -7.466 359 HB THR 73 HB THR 73 13.113 8.036 -7.006 360 HG1 THR 73 HG1 THR 73 12.952 8.441 -9.097 361 HG21 THR 73 HG21 THR 73 14.402 6.006 -7.517 362 HG22 THR 73 HG22 THR 73 12.897 5.117 -7.749 363 HG23 THR 73 HG23 THR 73 13.303 5.759 -6.159 364 H GLU 74 HN GLU 74 11.143 6.603 -9.662 365 HA GLU 74 HA GLU 74 8.919 5.011 -9.979 366 HB2 GLU 74 HB2 GLU 74 11.548 4.821 -11.462 367 HB3 GLU 74 HB3 GLU 74 10.044 4.081 -11.990 368 HG2 GLU 74 HG2 GLU 74 9.970 5.975 -13.224 369 HG3 GLU 74 HG3 GLU 74 9.164 6.557 -11.770 370 H THR 75 HN THR 75 12.220 3.922 -9.209 371 HA THR 75 HA THR 75 11.656 1.173 -9.244 372 HB THR 75 HB THR 75 13.774 2.521 -7.558 373 HG1 THR 75 HG1 THR 75 14.859 2.848 -9.357 374 HG21 THR 75 HG21 THR 75 14.988 0.385 -7.934 375 HG22 THR 75 HG22 THR 75 13.544 -0.259 -8.718 376 HG23 THR 75 HG23 THR 75 13.499 0.181 -7.011 377 H HIS 76 HN HIS 76 11.799 3.454 -6.497 378 HA HIS 76 HA HIS 76 11.161 1.583 -4.497 379 HB2 HIS 76 HB2 HIS 76 10.643 4.561 -4.534 380 HB3 HIS 76 HB3 HIS 76 10.564 3.539 -3.105 381 HD1 HIS 76 HD1 HIS 76 12.522 5.943 -3.335 382 HD2 HIS 76 HD2 HIS 76 13.511 1.991 -4.150 383 HE1 HIS 76 HE1 HIS 76 15.014 5.800 -3.042 384 HE2 HIS 76 HE2 HIS 76 15.572 3.374 -3.428 385 H VAL 77 HN VAL 77 9.102 3.716 -6.426 386 HA VAL 77 HA VAL 77 6.636 3.188 -5.175 387 HB VAL 77 HB VAL 77 7.290 4.002 -8.017 388 HG11 VAL 77 HG11 VAL 77 5.133 2.876 -8.034 389 HG12 VAL 77 HG12 VAL 77 4.912 4.616 -8.221 390 HG13 VAL 77 HG13 VAL 77 4.594 3.849 -6.666 391 HG21 VAL 77 HG21 VAL 77 7.880 5.608 -6.267 392 HG22 VAL 77 HG22 VAL 77 6.232 5.537 -5.642 393 HG23 VAL 77 HG23 VAL 77 6.539 6.199 -7.248 394 H ARG 78 HN ARG 78 8.099 1.739 -8.112 395 HA ARG 78 HA ARG 78 6.006 -0.163 -8.523 396 HB2 ARG 78 HB2 ARG 78 7.483 0.646 -10.338 397 HB3 ARG 78 HB3 ARG 78 8.847 -0.165 -9.582 398 HG2 ARG 78 HG2 ARG 78 7.681 -2.323 -9.876 399 HG3 ARG 78 HG3 ARG 78 6.389 -1.473 -10.725 400 HD2 ARG 78 HD2 ARG 78 8.028 -0.693 -12.386 401 HD3 ARG 78 HD3 ARG 78 9.286 -1.603 -11.550 402 HE ARG 78 HE ARG 78 7.458 -3.503 -12.070 403 HH11 ARG 78 HH11 ARG 78 8.948 -1.082 -14.117 404 HH12 ARG 78 HH12 ARG 78 8.821 -2.043 -15.550 405 HH21 ARG 78 HH21 ARG 78 7.295 -4.762 -13.961 406 HH22 ARG 78 HH22 ARG 78 7.883 -4.132 -15.463 407 H ASP 79 HN ASP 79 9.283 -0.455 -7.094 408 HA ASP 79 HA ASP 79 9.208 -3.206 -6.691 409 HB2 ASP 79 HB2 ASP 79 11.216 -1.727 -6.345 410 HB3 ASP 79 HB3 ASP 79 10.520 -1.218 -4.809 411 H TRP 80 HN TRP 80 7.908 -0.580 -4.717 412 HA TRP 80 HA TRP 80 7.111 -2.208 -2.546 413 HB2 TRP 80 HB2 TRP 80 7.145 0.055 -1.969 414 HB3 TRP 80 HB3 TRP 80 6.365 0.551 -3.466 415 HD1 TRP 80 HD1 TRP 80 5.413 -1.289 -0.177 416 HE1 TRP 80 HE1 TRP 80 2.959 -0.732 0.352 417 HE3 TRP 80 HE3 TRP 80 4.301 1.493 -4.317 418 HZ2 TRP 80 HZ2 TRP 80 0.831 0.694 -0.831 419 HZ3 TRP 80 HZ3 TRP 80 2.034 2.417 -4.542 420 HH2 TRP 80 HH2 TRP 80 0.336 2.023 -2.835 421 H VAL 81 HN VAL 81 5.079 -0.672 -5.061 422 HA VAL 81 HA VAL 81 2.725 -1.925 -4.799 423 HB VAL 81 HB VAL 81 4.199 -1.394 -7.384 424 HG11 VAL 81 HG11 VAL 81 1.979 -1.550 -8.489 425 HG12 VAL 81 HG12 VAL 81 1.325 -2.227 -6.997 426 HG13 VAL 81 HG13 VAL 81 2.578 -3.095 -7.886 427 HG21 VAL 81 HG21 VAL 81 1.973 0.087 -5.989 428 HG22 VAL 81 HG22 VAL 81 2.716 0.540 -7.522 429 HG23 VAL 81 HG23 VAL 81 3.668 0.570 -6.040 430 H MET 82 HN MET 82 5.425 -3.318 -6.676 431 HA MET 82 HA MET 82 4.266 -5.770 -7.306 432 HB2 MET 82 HB2 MET 82 6.435 -4.781 -8.181 433 HB3 MET 82 HB3 MET 82 7.194 -5.359 -6.706 434 HG2 MET 82 HG2 MET 82 6.735 -7.630 -7.273 435 HG3 MET 82 HG3 MET 82 5.737 -7.139 -8.642 436 HE1 MET 82 HE1 MET 82 7.427 -4.740 -9.823 437 HE2 MET 82 HE2 MET 82 6.732 -5.986 -10.860 438 HE3 MET 82 HE3 MET 82 8.432 -5.548 -11.027 439 H TRP 83 HN TRP 83 6.261 -4.868 -4.505 440 HA TRP 83 HA TRP 83 6.359 -7.357 -3.244 441 HB2 TRP 83 HB2 TRP 83 7.805 -5.609 -2.487 442 HB3 TRP 83 HB3 TRP 83 6.449 -4.543 -2.143 443 HD1 TRP 83 HD1 TRP 83 8.474 -7.392 -0.654 444 HE1 TRP 83 HE1 TRP 83 7.783 -7.713 1.804 445 HE3 TRP 83 HE3 TRP 83 4.416 -4.282 -0.537 446 HZ2 TRP 83 HZ2 TRP 83 5.780 -6.774 3.556 447 HZ3 TRP 83 HZ3 TRP 83 3.168 -4.051 1.570 448 HH2 TRP 83 HH2 TRP 83 3.839 -5.271 3.575 449 H ALA 84 HN ALA 84 3.869 -4.857 -3.209 450 HA ALA 84 HA ALA 84 2.304 -6.048 -1.126 451 HB1 ALA 84 HB1 ALA 84 1.515 -4.016 -3.220 452 HB2 ALA 84 HB2 ALA 84 2.156 -3.659 -1.616 453 HB3 ALA 84 HB3 ALA 84 0.581 -4.434 -1.784 454 H VAL 85 HN VAL 85 2.682 -6.623 -4.501 455 HA VAL 85 HA VAL 85 0.114 -7.853 -4.937 456 HB VAL 85 HB VAL 85 2.635 -7.963 -6.608 457 HG11 VAL 85 HG11 VAL 85 1.117 -8.700 -8.424 458 HG12 VAL 85 HG12 VAL 85 -0.177 -8.852 -7.235 459 HG13 VAL 85 HG13 VAL 85 1.257 -9.869 -7.112 460 HG21 VAL 85 HG21 VAL 85 1.420 -6.364 -8.060 461 HG22 VAL 85 HG22 VAL 85 1.791 -5.714 -6.466 462 HG23 VAL 85 HG23 VAL 85 0.156 -6.261 -6.833 463 H ASN 86 HN ASN 86 3.351 -8.870 -4.033 464 HA ASN 86 HA ASN 86 2.777 -11.686 -4.281 465 HB2 ASN 86 HB2 ASN 86 5.047 -10.880 -4.671 466 HB3 ASN 86 HB3 ASN 86 5.121 -10.228 -3.038 467 HD21 ASN 86 HD21 ASN 86 5.400 -11.617 -1.301 468 HD22 ASN 86 HD22 ASN 86 5.885 -13.262 -1.504 469 H GLU 87 HN GLU 87 2.907 -9.288 -1.688 470 HA GLU 87 HA GLU 87 2.676 -11.151 0.454 471 HB2 GLU 87 HB2 GLU 87 2.107 -8.185 0.324 472 HB3 GLU 87 HB3 GLU 87 2.097 -9.130 1.806 473 HG2 GLU 87 HG2 GLU 87 4.497 -8.961 0.013 474 HG3 GLU 87 HG3 GLU 87 4.188 -7.809 1.308 475 H PHE 88 HN PHE 88 0.348 -9.224 -1.395 476 HA PHE 88 HA PHE 88 -1.851 -10.465 0.105 477 HB2 PHE 88 HB2 PHE 88 -1.771 -8.014 -1.650 478 HB3 PHE 88 HB3 PHE 88 -3.258 -8.695 -1.005 479 HD1 PHE 88 HD1 PHE 88 -0.189 -6.876 -0.217 480 HD2 PHE 88 HD2 PHE 88 -3.797 -8.508 1.343 481 HE1 PHE 88 HE1 PHE 88 0.108 -5.559 1.840 482 HE2 PHE 88 HE2 PHE 88 -3.505 -7.195 3.402 483 HZ PHE 88 HZ PHE 88 -1.552 -5.717 3.650 484 H SER 89 HN SER 89 -0.142 -11.284 -2.509 485 HA SER 89 HA SER 89 -0.531 -12.269 -4.538 486 HB2 SER 89 HB2 SER 89 -2.794 -13.445 -2.902 487 HB3 SER 89 HB3 SER 89 -2.193 -14.109 -4.422 488 HG SER 89 HG SER 89 -1.173 -15.191 -2.776 489 H LEU 90 HN LEU 90 -1.281 -9.838 -4.952 490 HA LEU 90 HA LEU 90 -4.061 -9.601 -5.616 491 HB2 LEU 90 HB2 LEU 90 -1.777 -7.711 -6.168 492 HB3 LEU 90 HB3 LEU 90 -3.478 -7.331 -6.352 493 HG LEU 90 HG LEU 90 -2.045 -7.930 -3.762 494 HD11 LEU 90 HD11 LEU 90 -1.603 -5.705 -4.700 495 HD12 LEU 90 HD12 LEU 90 -2.539 -5.624 -3.206 496 HD13 LEU 90 HD13 LEU 90 -3.338 -5.397 -4.762 497 HD21 LEU 90 HD21 LEU 90 -4.949 -7.254 -4.226 498 HD22 LEU 90 HD22 LEU 90 -4.161 -7.464 -2.662 499 HD23 LEU 90 HD23 LEU 90 -4.325 -8.836 -3.758 500 H LYS 91 HN LYS 91 -4.624 -8.641 -7.844 501 HA LYS 91 HA LYS 91 -2.992 -9.637 -10.027 502 HB2 LYS 91 HB2 LYS 91 -4.715 -11.033 -11.000 503 HB3 LYS 91 HB3 LYS 91 -4.354 -11.595 -9.375 504 HG2 LYS 91 HG2 LYS 91 -6.657 -9.753 -9.920 505 HG3 LYS 91 HG3 LYS 91 -6.801 -11.500 -10.103 506 HD2 LYS 91 HD2 LYS 91 -6.282 -11.857 -7.796 507 HD3 LYS 91 HD3 LYS 91 -5.854 -10.161 -7.574 508 HE2 LYS 91 HE2 LYS 91 -8.604 -11.131 -8.333 509 HE3 LYS 91 HE3 LYS 91 -8.098 -10.783 -6.681 510 HZ1 LYS 91 HZ1 LYS 91 -7.605 -8.492 -7.403 511 HZ2 LYS 91 HZ2 LYS 91 -9.239 -8.894 -7.576 512 HZ3 LYS 91 HZ3 LYS 91 -8.233 -8.851 -8.934 513 H GLY 92 HN GLY 92 -3.473 -8.730 -12.031 514 HA2 GLY 92 HA2 GLY 92 -4.625 -7.369 -13.550 515 HA3 GLY 92 HA1 GLY 92 -5.740 -6.920 -12.274 516 H VAL 93 HN VAL 93 -2.895 -6.443 -10.797 517 HA VAL 93 HA VAL 93 -3.004 -3.607 -11.207 518 HB VAL 93 HB VAL 93 -2.530 -4.565 -8.979 519 HG11 VAL 93 HG11 VAL 93 0.145 -5.327 -10.142 520 HG12 VAL 93 HG12 VAL 93 -1.143 -6.456 -9.720 521 HG13 VAL 93 HG13 VAL 93 -0.361 -5.499 -8.463 522 HG21 VAL 93 HG21 VAL 93 -1.870 -2.268 -9.513 523 HG22 VAL 93 HG22 VAL 93 -0.297 -2.849 -10.062 524 HG23 VAL 93 HG23 VAL 93 -0.756 -3.014 -8.367 525 H ASP 94 HN ASP 94 -1.668 -2.327 -12.357 526 HA ASP 94 HA ASP 94 0.386 -3.678 -13.972 527 HB2 ASP 94 HB2 ASP 94 -1.181 -1.153 -14.527 528 HB3 ASP 94 HB3 ASP 94 0.080 -1.804 -15.566 529 H PHE 95 HN PHE 95 2.442 -2.922 -14.051 530 HA PHE 95 HA PHE 95 3.205 -0.976 -12.009 531 HB2 PHE 95 HB2 PHE 95 4.963 -2.669 -13.813 532 HB3 PHE 95 HB3 PHE 95 5.499 -1.718 -12.433 533 HD1 PHE 95 HD1 PHE 95 4.369 -2.321 -10.150 534 HD2 PHE 95 HD2 PHE 95 4.506 -4.908 -13.527 535 HE1 PHE 95 HE1 PHE 95 4.006 -4.257 -8.678 536 HE2 PHE 95 HE2 PHE 95 4.141 -6.848 -12.060 537 HZ PHE 95 HZ PHE 95 3.891 -6.524 -9.632 538 H GLN 96 HN GLN 96 2.896 -1.209 -15.468 539 HA GLN 96 HA GLN 96 4.572 0.919 -16.245 540 HB2 GLN 96 HB2 GLN 96 1.978 -0.000 -17.506 541 HB3 GLN 96 HB3 GLN 96 3.180 1.025 -18.274 542 HG2 GLN 96 HG2 GLN 96 3.543 -1.842 -17.429 543 HG3 GLN 96 HG3 GLN 96 3.367 -1.244 -19.076 544 HE21 GLN 96 HE21 GLN 96 5.068 1.067 -18.724 545 HE22 GLN 96 HE22 GLN 96 6.687 0.479 -18.607 546 H LYS 97 HN LYS 97 1.306 0.803 -14.967 547 HA LYS 97 HA LYS 97 0.571 3.514 -15.411 548 HB2 LYS 97 HB2 LYS 97 -0.393 1.285 -13.667 549 HB3 LYS 97 HB3 LYS 97 -0.955 2.919 -13.354 550 HG2 LYS 97 HG2 LYS 97 -2.528 1.735 -14.756 551 HG3 LYS 97 HG3 LYS 97 -1.796 3.069 -15.647 552 HD2 LYS 97 HD2 LYS 97 -0.313 1.545 -16.793 553 HD3 LYS 97 HD3 LYS 97 -0.900 0.194 -15.824 554 HE2 LYS 97 HE2 LYS 97 -2.586 1.832 -17.712 555 HE3 LYS 97 HE3 LYS 97 -1.880 0.263 -18.094 556 HZ1 LYS 97 HZ1 LYS 97 -4.141 -0.043 -17.437 557 HZ2 LYS 97 HZ2 LYS 97 -3.918 0.839 -16.012 558 HZ3 LYS 97 HZ3 LYS 97 -3.159 -0.660 -16.205 559 H PHE 98 HN PHE 98 2.303 1.850 -12.812 560 HA PHE 98 HA PHE 98 2.488 4.359 -11.306 561 HB2 PHE 98 HB2 PHE 98 3.238 1.544 -10.487 562 HB3 PHE 98 HB3 PHE 98 3.312 2.964 -9.450 563 HD1 PHE 98 HD1 PHE 98 0.908 4.357 -9.710 564 HD2 PHE 98 HD2 PHE 98 1.512 0.150 -9.936 565 HE1 PHE 98 HE1 PHE 98 -1.428 3.990 -9.039 566 HE2 PHE 98 HE2 PHE 98 -0.825 -0.224 -9.266 567 HZ PHE 98 HZ PHE 98 -2.298 1.700 -8.816 568 H CYS 99 HN CYS 99 3.982 4.057 -13.750 569 HA CYS 99 HA CYS 99 6.737 3.608 -12.929 570 HB2 CYS 99 HB2 CYS 99 5.923 2.800 -15.136 571 HB3 CYS 99 HB3 CYS 99 5.646 4.470 -15.617 572 HG CYS 99 HG CYS 99 8.751 3.438 -14.666 573 H MET 100 HN MET 100 6.399 5.442 -11.342 574 HA MET 100 HA MET 100 7.657 7.809 -12.386 575 HB2 MET 100 HB2 MET 100 5.956 9.402 -11.869 576 HB3 MET 100 HB3 MET 100 5.188 8.160 -12.846 577 HG2 MET 100 HG2 MET 100 4.445 7.115 -10.649 578 HG3 MET 100 HG3 MET 100 4.936 8.630 -9.895 579 HE1 MET 100 HE1 MET 100 3.010 7.512 -13.175 580 HE2 MET 100 HE2 MET 100 1.369 7.959 -12.705 581 HE3 MET 100 HE3 MET 100 2.238 6.716 -11.803 582 H SER 101 HN SER 101 7.847 9.495 -10.531 583 HA SER 101 HA SER 101 9.020 8.129 -8.290 584 HB2 SER 101 HB2 SER 101 8.590 11.081 -8.865 585 HB3 SER 101 HB3 SER 101 9.454 10.467 -7.457 586 HG SER 101 HG SER 101 11.065 9.776 -8.721 587 H GLY 102 HN GLY 102 8.500 8.514 -6.067 588 HA2 GLY 102 HA2 GLY 102 5.841 8.003 -5.401 589 HA3 GLY 102 HA1 GLY 102 7.083 8.517 -4.273 590 H ALA 103 HN ALA 103 7.627 11.068 -5.429 591 HA ALA 103 HA ALA 103 5.768 12.699 -4.139 592 HB1 ALA 103 HB1 ALA 103 8.023 13.438 -4.722 593 HB2 ALA 103 HB2 ALA 103 6.809 14.559 -5.340 594 HB3 ALA 103 HB3 ALA 103 7.597 13.422 -6.433 595 H ALA 104 HN ALA 104 5.935 11.644 -7.517 596 HA ALA 104 HA ALA 104 3.767 13.253 -8.446 597 HB1 ALA 104 HB1 ALA 104 3.874 11.916 -10.458 598 HB2 ALA 104 HB2 ALA 104 4.855 10.700 -9.641 599 HB3 ALA 104 HB3 ALA 104 5.511 12.313 -9.932 600 H LEU 105 HN LEU 105 4.086 9.869 -7.415 601 HA LEU 105 HA LEU 105 1.482 8.992 -7.885 602 HB2 LEU 105 HB2 LEU 105 3.561 7.668 -7.176 603 HB3 LEU 105 HB3 LEU 105 3.147 8.124 -5.534 604 HG LEU 105 HG LEU 105 0.919 7.026 -5.868 605 HD11 LEU 105 HD11 LEU 105 0.720 5.422 -7.721 606 HD12 LEU 105 HD12 LEU 105 2.224 6.042 -8.401 607 HD13 LEU 105 HD13 LEU 105 0.810 7.089 -8.285 608 HD21 LEU 105 HD21 LEU 105 3.351 5.275 -6.215 609 HD22 LEU 105 HD22 LEU 105 1.783 4.759 -5.595 610 HD23 LEU 105 HD23 LEU 105 2.751 5.919 -4.687 611 H CYS 106 HN CYS 106 2.850 10.549 -4.989 612 HA CYS 106 HA CYS 106 0.499 10.431 -3.433 613 HB2 CYS 106 HB2 CYS 106 2.824 12.369 -3.314 614 HB3 CYS 106 HB3 CYS 106 1.567 12.247 -2.088 615 HG CYS 106 HG CYS 106 3.849 9.826 -2.889 616 H ALA 107 HN ALA 107 1.751 12.852 -5.684 617 HA ALA 107 HA ALA 107 -0.200 14.844 -5.228 618 HB1 ALA 107 HB1 ALA 107 0.535 15.806 -7.340 619 HB2 ALA 107 HB2 ALA 107 1.380 14.311 -7.743 620 HB3 ALA 107 HB3 ALA 107 1.918 15.287 -6.376 621 H LEU 108 HN LEU 108 -0.177 11.974 -7.252 622 HA LEU 108 HA LEU 108 -2.335 12.560 -8.932 623 HB2 LEU 108 HB2 LEU 108 -1.199 9.971 -7.925 624 HB3 LEU 108 HB3 LEU 108 -2.563 10.011 -9.022 625 HG LEU 108 HG LEU 108 0.158 11.181 -9.609 626 HD11 LEU 108 HD11 LEU 108 -1.140 8.621 -10.525 627 HD12 LEU 108 HD12 LEU 108 0.296 8.779 -9.514 628 HD13 LEU 108 HD13 LEU 108 0.343 9.298 -11.197 629 HD21 LEU 108 HD21 LEU 108 -0.699 11.360 -11.906 630 HD22 LEU 108 HD22 LEU 108 -1.617 12.355 -10.777 631 HD23 LEU 108 HD23 LEU 108 -2.283 10.824 -11.346 632 H GLY 109 HN GLY 109 -2.257 11.265 -5.649 633 HA2 GLY 109 HA2 GLY 109 -3.954 11.215 -4.080 634 HA3 GLY 109 HA1 GLY 109 -5.042 11.887 -5.284 635 H LYS 110 HN LYS 110 -6.183 10.096 -3.768 636 HA LYS 110 HA LYS 110 -5.883 7.383 -4.419 637 HB2 LYS 110 HB2 LYS 110 -7.122 8.151 -2.450 638 HB3 LYS 110 HB3 LYS 110 -8.362 8.841 -3.488 639 HG2 LYS 110 HG2 LYS 110 -8.922 6.615 -4.314 640 HG3 LYS 110 HG3 LYS 110 -7.669 5.916 -3.290 641 HD2 LYS 110 HD2 LYS 110 -9.739 5.628 -2.157 642 HD3 LYS 110 HD3 LYS 110 -8.860 6.908 -1.320 643 HE2 LYS 110 HE2 LYS 110 -11.187 7.525 -1.565 644 HE3 LYS 110 HE3 LYS 110 -10.175 8.588 -2.539 645 HZ1 LYS 110 HZ1 LYS 110 -11.645 6.234 -3.600 646 HZ2 LYS 110 HZ2 LYS 110 -10.783 7.376 -4.502 647 HZ3 LYS 110 HZ3 LYS 110 -12.197 7.831 -3.695 648 H GLU 111 HN GLU 111 -8.092 9.837 -5.767 649 HA GLU 111 HA GLU 111 -9.591 8.278 -7.488 650 HB2 GLU 111 HB2 GLU 111 -10.125 10.592 -7.180 651 HB3 GLU 111 HB3 GLU 111 -8.564 11.103 -7.800 652 HG2 GLU 111 HG2 GLU 111 -10.296 11.501 -9.431 653 HG3 GLU 111 HG3 GLU 111 -9.170 10.278 -10.016 654 H CYS 112 HN CYS 112 -6.642 10.079 -8.458 655 HA CYS 112 HA CYS 112 -6.444 8.889 -10.991 656 HB2 CYS 112 HB2 CYS 112 -4.349 10.186 -9.252 657 HB3 CYS 112 HB3 CYS 112 -4.057 9.684 -10.913 658 HG CYS 112 HG CYS 112 -4.423 12.290 -11.307 659 H PHE 113 HN PHE 113 -5.059 7.933 -7.865 660 HA PHE 113 HA PHE 113 -3.369 5.899 -8.832 661 HB2 PHE 113 HB2 PHE 113 -3.313 6.913 -6.529 662 HB3 PHE 113 HB3 PHE 113 -4.748 5.969 -6.141 663 HD1 PHE 113 HD2 PHE 113 -4.623 3.571 -5.869 664 HD2 PHE 113 HD1 PHE 113 -1.162 5.864 -6.794 665 HE1 PHE 113 HE2 PHE 113 -3.200 1.662 -5.254 666 HE2 PHE 113 HE1 PHE 113 0.269 3.959 -6.179 667 HZ PHE 113 HZ PHE 113 -0.750 1.854 -5.409 668 H LEU 114 HN LEU 114 -6.746 5.836 -7.711 669 HA LEU 114 HA LEU 114 -7.102 3.044 -7.986 670 HB2 LEU 114 HB2 LEU 114 -8.830 5.385 -7.523 671 HB3 LEU 114 HB3 LEU 114 -9.619 4.027 -8.302 672 HG LEU 114 HG LEU 114 -9.062 2.573 -6.445 673 HD11 LEU 114 HD11 LEU 114 -7.972 3.451 -4.428 674 HD12 LEU 114 HD12 LEU 114 -7.672 4.973 -5.265 675 HD13 LEU 114 HD13 LEU 114 -6.905 3.490 -5.831 676 HD21 LEU 114 HD21 LEU 114 -10.411 3.615 -4.704 677 HD22 LEU 114 HD22 LEU 114 -11.113 3.895 -6.298 678 HD23 LEU 114 HD23 LEU 114 -10.226 5.184 -5.487 679 H GLU 115 HN GLU 115 -7.196 5.676 -10.263 680 HA GLU 115 HA GLU 115 -8.538 4.215 -12.337 681 HB2 GLU 115 HB2 GLU 115 -6.896 6.751 -12.365 682 HB3 GLU 115 HB3 GLU 115 -7.667 6.086 -13.797 683 HG2 GLU 115 HG2 GLU 115 -9.841 6.375 -12.834 684 HG3 GLU 115 HG3 GLU 115 -9.140 6.863 -11.293 685 H LEU 116 HN LEU 116 -5.309 4.392 -11.135 686 HA LEU 116 HA LEU 116 -4.056 3.360 -13.537 687 HB2 LEU 116 HB2 LEU 116 -2.996 3.880 -10.758 688 HB3 LEU 116 HB3 LEU 116 -2.016 3.314 -12.093 689 HG LEU 116 HG LEU 116 -3.517 5.928 -12.130 690 HD11 LEU 116 HD11 LEU 116 -0.631 5.398 -11.435 691 HD12 LEU 116 HD12 LEU 116 -1.883 5.972 -10.333 692 HD13 LEU 116 HD13 LEU 116 -1.355 6.988 -11.675 693 HD21 LEU 116 HD21 LEU 116 -1.276 4.868 -13.846 694 HD22 LEU 116 HD22 LEU 116 -2.036 6.453 -13.988 695 HD23 LEU 116 HD23 LEU 116 -2.968 4.993 -14.324 696 H ALA 117 HN ALA 117 -5.083 2.172 -10.375 697 HA ALA 117 HA ALA 117 -4.282 -0.551 -11.190 698 HB1 ALA 117 HB1 ALA 117 -2.989 0.058 -9.298 699 HB2 ALA 117 HB2 ALA 117 -4.225 -1.065 -8.737 700 HB3 ALA 117 HB3 ALA 117 -4.405 0.665 -8.441 701 HA PRO 118 HA PRO 118 -8.358 -2.213 -11.276 702 HB2 PRO 118 HB2 PRO 118 -7.414 -4.020 -9.097 703 HB3 PRO 118 HB3 PRO 118 -8.261 -4.411 -10.597 704 HG2 PRO 118 HG2 PRO 118 -5.612 -4.785 -10.297 705 HG3 PRO 118 HG3 PRO 118 -6.344 -4.356 -11.852 706 HD2 PRO 118 HD2 PRO 118 -4.653 -2.741 -10.072 707 HD3 PRO 118 HD3 PRO 118 -5.009 -2.522 -11.792 708 H ASP 119 HN ASP 119 -10.254 -2.594 -10.023 709 HA ASP 119 HA ASP 119 -10.858 -0.612 -8.146 710 HB2 ASP 119 HB2 ASP 119 -12.319 -3.150 -8.821 711 HB3 ASP 119 HB3 ASP 119 -12.987 -1.844 -7.846 712 H PHE 120 HN PHE 120 -9.416 -3.701 -7.618 713 HA PHE 120 HA PHE 120 -10.150 -3.478 -4.802 714 HB2 PHE 120 HB2 PHE 120 -9.262 -5.969 -6.273 715 HB3 PHE 120 HB3 PHE 120 -9.614 -5.904 -4.548 716 HD1 PHE 120 HD2 PHE 120 -11.899 -5.656 -3.753 717 HD2 PHE 120 HD1 PHE 120 -11.023 -5.927 -7.909 718 HE1 PHE 120 HE2 PHE 120 -14.271 -6.113 -4.219 719 HE2 PHE 120 HE1 PHE 120 -13.394 -6.383 -8.383 720 HZ PHE 120 HZ PHE 120 -15.021 -6.478 -6.537 721 H VAL 121 HN VAL 121 -7.378 -4.458 -6.826 722 HA VAL 121 HA VAL 121 -5.483 -4.481 -4.745 723 HB VAL 121 HB VAL 121 -3.775 -4.540 -6.395 724 HG11 VAL 121 HG11 VAL 121 -5.253 -6.518 -6.278 725 HG12 VAL 121 HG12 VAL 121 -4.497 -6.309 -7.858 726 HG13 VAL 121 HG13 VAL 121 -6.186 -5.863 -7.624 727 HG21 VAL 121 HG21 VAL 121 -4.218 -2.686 -7.766 728 HG22 VAL 121 HG22 VAL 121 -5.803 -3.303 -8.227 729 HG23 VAL 121 HG23 VAL 121 -4.342 -4.091 -8.823 730 H GLY 122 HN GLY 122 -6.612 -1.867 -6.846 731 HA2 GLY 122 HA2 GLY 122 -4.690 0.070 -6.238 732 HA3 GLY 122 HA1 GLY 122 -6.345 0.408 -6.720 733 H ASP 123 HN ASP 123 -7.610 -0.862 -4.473 734 HA ASP 123 HA ASP 123 -7.614 1.274 -2.633 735 HB2 ASP 123 HB2 ASP 123 -9.539 -0.260 -3.028 736 HB3 ASP 123 HB3 ASP 123 -8.650 -1.531 -2.190 737 H ILE 124 HN ILE 124 -6.254 -2.007 -2.424 738 HA ILE 124 HA ILE 124 -5.248 -1.857 0.180 739 HB ILE 124 HB ILE 124 -4.085 -3.394 -2.143 740 HG12 ILE 124 HG12 ILE 124 -6.127 -4.226 -0.071 741 HG13 ILE 124 HG13 ILE 124 -6.457 -3.907 -1.772 742 HG21 ILE 124 HG21 ILE 124 -3.757 -3.750 0.833 743 HG22 ILE 124 HG22 ILE 124 -2.514 -3.256 -0.317 744 HG23 ILE 124 HG23 ILE 124 -3.185 -4.885 -0.390 745 HD11 ILE 124 HD11 ILE 124 -4.698 -6.094 -0.697 746 HD12 ILE 124 HD12 ILE 124 -5.025 -5.770 -2.401 747 HD13 ILE 124 HD13 ILE 124 -6.332 -6.285 -1.334 748 H LEU 125 HN LEU 125 -3.558 -1.311 -2.900 749 HA LEU 125 HA LEU 125 -1.082 -0.591 -1.847 750 HB2 LEU 125 HB2 LEU 125 -2.422 0.326 -4.403 751 HB3 LEU 125 HB3 LEU 125 -0.733 0.600 -4.027 752 HG LEU 125 HG LEU 125 -1.977 -2.138 -4.238 753 HD11 LEU 125 HD11 LEU 125 -0.426 -0.571 -6.291 754 HD12 LEU 125 HD12 LEU 125 -2.120 -1.051 -6.392 755 HD13 LEU 125 HD13 LEU 125 -0.853 -2.278 -6.420 756 HD21 LEU 125 HD21 LEU 125 0.364 -2.870 -4.407 757 HD22 LEU 125 HD22 LEU 125 0.019 -2.078 -2.870 758 HD23 LEU 125 HD23 LEU 125 0.888 -1.208 -4.135 759 H TRP 126 HN TRP 126 -3.708 1.662 -2.892 760 HA TRP 126 HA TRP 126 -2.344 3.971 -1.944 761 HB2 TRP 126 HB2 TRP 126 -4.033 4.662 -3.352 762 HB3 TRP 126 HB3 TRP 126 -5.115 3.353 -2.888 763 HD1 TRP 126 HD1 TRP 126 -4.208 6.941 -1.998 764 HE1 TRP 126 HE1 TRP 126 -5.950 7.868 -0.349 765 HE3 TRP 126 HE3 TRP 126 -6.771 2.634 -1.034 766 HZ2 TRP 126 HZ2 TRP 126 -8.126 6.894 1.169 767 HZ3 TRP 126 HZ3 TRP 126 -8.666 2.710 0.530 768 HH2 TRP 126 HH2 TRP 126 -9.329 4.797 1.608 769 H GLU 127 HN GLU 127 -4.332 1.610 -0.262 770 HA GLU 127 HA GLU 127 -4.926 3.147 2.034 771 HB2 GLU 127 HB2 GLU 127 -5.901 0.897 1.492 772 HB3 GLU 127 HB3 GLU 127 -4.363 0.164 1.925 773 HG2 GLU 127 HG2 GLU 127 -4.589 0.994 4.197 774 HG3 GLU 127 HG3 GLU 127 -6.111 1.775 3.771 775 H HIS 128 HN HIS 128 -2.267 0.789 1.509 776 HA HIS 128 HA HIS 128 -0.851 1.566 3.856 777 HB2 HIS 128 HB2 HIS 128 -0.634 -0.676 2.808 778 HB3 HIS 128 HB3 HIS 128 0.170 0.070 1.432 779 HD1 HIS 128 HD1 HIS 128 2.158 -1.603 2.097 780 HD2 HIS 128 HD2 HIS 128 1.402 1.480 4.780 781 HE1 HIS 128 HE1 HIS 128 4.202 -1.464 3.554 782 HE2 HIS 128 HE2 HIS 128 3.756 0.463 5.116 783 H LEU 129 HN LEU 129 -0.792 2.544 0.494 784 HA LEU 129 HA LEU 129 1.641 3.903 0.371 785 HB2 LEU 129 HB2 LEU 129 0.175 3.414 -1.563 786 HB3 LEU 129 HB3 LEU 129 -0.960 4.617 -0.990 787 HG LEU 129 HG LEU 129 0.757 6.366 -1.316 788 HD11 LEU 129 HD11 LEU 129 2.369 4.105 -2.487 789 HD12 LEU 129 HD12 LEU 129 2.757 5.034 -1.039 790 HD13 LEU 129 HD13 LEU 129 2.769 5.817 -2.620 791 HD21 LEU 129 HD21 LEU 129 0.658 6.382 -3.752 792 HD22 LEU 129 HD22 LEU 129 -0.885 5.887 -3.059 793 HD23 LEU 129 HD23 LEU 129 0.198 4.680 -3.752 794 H GLU 130 HN GLU 130 -1.579 5.073 1.348 795 HA GLU 130 HA GLU 130 -0.735 7.708 1.872 796 HB2 GLU 130 HB2 GLU 130 -3.074 7.236 1.452 797 HB3 GLU 130 HB3 GLU 130 -3.144 6.187 2.859 798 HG2 GLU 130 HG2 GLU 130 -4.203 8.327 3.291 799 HG3 GLU 130 HG3 GLU 130 -2.794 8.091 4.322 800 H ILE 131 HN ILE 131 -0.877 4.782 3.786 801 HA ILE 131 HA ILE 131 -0.479 5.892 6.330 802 HB ILE 131 HB ILE 131 0.291 3.200 5.197 803 HG12 ILE 131 HG12 ILE 131 -1.862 3.950 7.182 804 HG13 ILE 131 HG13 ILE 131 -2.135 3.775 5.452 805 HG21 ILE 131 HG21 ILE 131 0.646 2.454 7.519 806 HG22 ILE 131 HG22 ILE 131 0.504 4.129 8.054 807 HG23 ILE 131 HG23 ILE 131 1.829 3.651 6.992 808 HD11 ILE 131 HD11 ILE 131 -1.217 1.614 7.332 809 HD12 ILE 131 HD12 ILE 131 -1.453 1.430 5.594 810 HD13 ILE 131 HD13 ILE 131 -2.828 1.787 6.637 811 H LEU 132 HN LEU 132 1.816 4.839 3.846 812 HA LEU 132 HA LEU 132 4.199 5.258 5.243 813 HB2 LEU 132 HB2 LEU 132 3.621 5.584 2.298 814 HB3 LEU 132 HB3 LEU 132 5.228 5.539 2.991 815 HG LEU 132 HG LEU 132 3.262 3.261 3.210 816 HD11 LEU 132 HD11 LEU 132 4.544 2.178 1.439 817 HD12 LEU 132 HD12 LEU 132 5.523 3.634 1.250 818 HD13 LEU 132 HD13 LEU 132 3.802 3.672 0.865 819 HD21 LEU 132 HD21 LEU 132 5.274 1.967 3.775 820 HD22 LEU 132 HD22 LEU 132 4.973 3.263 4.933 821 HD23 LEU 132 HD23 LEU 132 6.231 3.447 3.711 822 H GLN 133 HN GLN 133 2.096 7.499 3.516 823 HA GLN 133 HA GLN 133 3.843 9.732 3.563 824 HB2 GLN 133 HB2 GLN 133 0.824 9.745 3.437 825 HB3 GLN 133 HB3 GLN 133 1.897 11.049 2.957 826 HG2 GLN 133 HG2 GLN 133 2.705 9.810 1.098 827 HG3 GLN 133 HG3 GLN 133 1.896 8.345 1.649 828 HE21 GLN 133 HE21 GLN 133 0.734 8.092 -0.240 829 HE22 GLN 133 HE22 GLN 133 -0.571 9.134 -0.678 830 H LYS 134 HN LYS 134 0.768 9.408 5.352 831 HA LYS 134 HA LYS 134 1.826 9.792 7.905 832 HB2 LYS 134 HB2 LYS 134 2.319 12.055 6.777 833 HB3 LYS 134 HB3 LYS 134 0.589 12.339 6.892 834 HG2 LYS 134 HG2 LYS 134 0.705 12.095 9.317 835 HG3 LYS 134 HG3 LYS 134 2.440 11.799 9.204 836 HD2 LYS 134 HD2 LYS 134 2.726 14.032 8.195 837 HD3 LYS 134 HD3 LYS 134 0.998 14.323 8.391 838 HE2 LYS 134 HE2 LYS 134 2.129 15.380 10.208 839 HE3 LYS 134 HE3 LYS 134 1.290 13.967 10.843 840 HZ1 LYS 134 HZ1 LYS 134 3.543 14.176 11.726 841 HZ2 LYS 134 HZ2 LYS 134 4.182 14.077 10.163 842 HZ3 LYS 134 HZ3 LYS 134 3.367 12.753 10.829 843 H GLU 135 HN GLU 135 -0.002 8.043 7.234 844 HA GLU 135 HA GLU 135 -2.693 9.047 7.483 845 HB2 GLU 135 HB2 GLU 135 -2.017 7.020 6.119 846 HB3 GLU 135 HB3 GLU 135 -1.803 6.167 7.641 847 HG2 GLU 135 HG2 GLU 135 -4.120 6.403 8.174 848 HG3 GLU 135 HG3 GLU 135 -4.380 7.457 6.786 849 H ASP 136 HN ASP 136 -3.902 9.188 9.266 850 HA ASP 136 HA ASP 136 -2.639 8.674 11.825 851 HB2 ASP 136 HB2 ASP 136 -5.268 9.988 11.109 852 HB3 ASP 136 HB3 ASP 136 -4.666 9.815 12.754 853 H VAL 137 HN VAL 137 -2.641 6.359 11.632 854 HA VAL 137 HA VAL 137 -5.222 5.190 12.424 855 HB VAL 137 HB VAL 137 -4.455 3.054 11.285 856 HG11 VAL 137 HG11 VAL 137 -5.060 5.442 9.544 857 HG12 VAL 137 HG12 VAL 137 -6.245 4.457 10.401 858 HG13 VAL 137 HG13 VAL 137 -5.291 3.751 9.098 859 HG21 VAL 137 HG21 VAL 137 -2.886 3.307 9.411 860 HG22 VAL 137 HG22 VAL 137 -2.112 3.627 10.962 861 HG23 VAL 137 HG23 VAL 137 -2.566 4.967 9.911 862 H LYS 138 HN LYS 138 -5.142 4.352 14.383 863 HA LYS 138 HA LYS 138 -2.561 3.352 15.398 864 HB2 LYS 138 HB2 LYS 138 -4.842 4.612 16.934 865 HB3 LYS 138 HB3 LYS 138 -3.403 3.918 17.667 866 HG2 LYS 138 HG2 LYS 138 -3.414 6.246 15.755 867 HG3 LYS 138 HG3 LYS 138 -3.320 6.371 17.513 868 HD2 LYS 138 HD2 LYS 138 -1.226 5.100 17.490 869 HD3 LYS 138 HD3 LYS 138 -1.322 4.968 15.733 870 HE2 LYS 138 HE2 LYS 138 0.192 6.738 16.246 871 HE3 LYS 138 HE3 LYS 138 -1.287 7.464 15.624 872 HZ1 LYS 138 HZ1 LYS 138 -0.479 8.659 17.551 873 HZ2 LYS 138 HZ2 LYS 138 -0.527 7.253 18.489 874 HZ3 LYS 138 HZ3 LYS 138 -1.964 7.929 17.907 Start of MODEL 6 1 H HIS 28 H1 HIS 28 -15.559 14.387 3.927 2 HA HIS 28 HA HIS 28 -12.930 15.735 4.106 3 HB2 HIS 28 HB2 HIS 28 -12.910 15.067 6.409 4 HB3 HIS 28 HB3 HIS 28 -14.447 15.864 6.101 5 HD1 HIS 28 HD1 HIS 28 -12.961 12.619 7.107 6 HD2 HIS 28 HD2 HIS 28 -16.705 14.139 6.144 7 HE1 HIS 28 HE1 HIS 28 -14.607 10.877 7.863 8 HE2 HIS 28 HE2 HIS 28 -16.858 11.770 7.172 9 H MET 29 HN MET 29 -14.639 12.706 3.665 10 HA MET 29 HA MET 29 -13.951 10.685 2.904 11 HB2 MET 29 HB2 MET 29 -12.371 11.984 1.466 12 HB3 MET 29 HB3 MET 29 -11.164 11.850 2.736 13 HG2 MET 29 HG2 MET 29 -11.224 9.413 2.528 14 HG3 MET 29 HG3 MET 29 -12.416 9.559 1.238 15 HE1 MET 29 HE1 MET 29 -8.672 10.005 2.288 16 HE2 MET 29 HE2 MET 29 -9.186 11.675 2.047 17 HE3 MET 29 HE3 MET 29 -8.022 10.943 0.943 18 H GLU 30 HN GLU 30 -11.026 11.708 4.691 19 HA GLU 30 HA GLU 30 -11.720 10.140 6.991 20 HB2 GLU 30 HB2 GLU 30 -9.829 8.559 6.820 21 HB3 GLU 30 HB3 GLU 30 -11.016 8.330 5.545 22 HG2 GLU 30 HG2 GLU 30 -9.509 9.741 4.078 23 HG3 GLU 30 HG3 GLU 30 -8.290 9.571 5.341 24 H CYS 31 HN CYS 31 -10.952 12.880 6.456 25 HA CYS 31 HA CYS 31 -8.345 13.047 7.804 26 HB2 CYS 31 HB2 CYS 31 -8.254 15.371 7.025 27 HB3 CYS 31 HB3 CYS 31 -8.471 14.259 5.680 28 HG CYS 31 HG CYS 31 -10.597 16.592 6.893 29 H ALA 32 HN ALA 32 -11.678 14.263 7.933 30 HA ALA 32 HA ALA 32 -11.173 15.235 10.667 31 HB1 ALA 32 HB1 ALA 32 -13.165 16.621 10.393 32 HB2 ALA 32 HB2 ALA 32 -13.410 15.962 8.775 33 HB3 ALA 32 HB3 ALA 32 -11.987 16.946 9.122 34 H ASP 33 HN ASP 33 -11.482 13.426 11.890 35 HA ASP 33 HA ASP 33 -14.176 12.238 11.802 36 HB2 ASP 33 HB2 ASP 33 -11.581 10.755 12.284 37 HB3 ASP 33 HB3 ASP 33 -13.193 10.050 12.360 38 H VAL 34 HN VAL 34 -15.168 11.882 13.732 39 HA VAL 34 HA VAL 34 -14.072 13.217 16.037 40 HB VAL 34 HB VAL 34 -16.468 13.404 15.489 41 HG11 VAL 34 HG11 VAL 34 -17.995 11.549 15.876 42 HG12 VAL 34 HG12 VAL 34 -16.635 10.491 16.252 43 HG13 VAL 34 HG13 VAL 34 -16.823 11.140 14.623 44 HG21 VAL 34 HG21 VAL 34 -15.922 12.068 18.138 45 HG22 VAL 34 HG22 VAL 34 -17.342 13.039 17.750 46 HG23 VAL 34 HG23 VAL 34 -15.745 13.786 17.778 47 HA PRO 35 HA PRO 35 -12.247 9.562 17.811 48 HB2 PRO 35 HB2 PRO 35 -11.746 10.544 20.288 49 HB3 PRO 35 HB3 PRO 35 -10.787 10.990 18.871 50 HG2 PRO 35 HG2 PRO 35 -13.011 12.489 20.201 51 HG3 PRO 35 HG3 PRO 35 -11.466 13.098 19.580 52 HD2 PRO 35 HD2 PRO 35 -13.797 13.335 18.213 53 HD3 PRO 35 HD3 PRO 35 -12.225 13.169 17.407 54 H LEU 36 HN LEU 36 -13.803 8.018 18.003 55 HA LEU 36 HA LEU 36 -14.920 7.472 20.530 56 HB2 LEU 36 HB2 LEU 36 -16.439 9.325 19.836 57 HB3 LEU 36 HB3 LEU 36 -16.927 8.363 18.456 58 HG LEU 36 HG LEU 36 -17.825 6.645 20.001 59 HD11 LEU 36 HD11 LEU 36 -18.106 7.203 22.367 60 HD12 LEU 36 HD12 LEU 36 -17.155 8.670 22.133 61 HD13 LEU 36 HD13 LEU 36 -16.403 7.089 21.925 62 HD21 LEU 36 HD21 LEU 36 -18.909 9.428 20.432 63 HD22 LEU 36 HD22 LEU 36 -19.785 7.921 20.696 64 HD23 LEU 36 HD23 LEU 36 -19.281 8.373 19.069 65 H LEU 37 HN LEU 37 -14.452 5.357 20.427 66 HA LEU 37 HA LEU 37 -15.923 3.647 18.662 67 HB2 LEU 37 HB2 LEU 37 -13.686 4.604 17.503 68 HB3 LEU 37 HB3 LEU 37 -13.008 3.219 18.334 69 HG LEU 37 HG LEU 37 -15.305 3.082 16.378 70 HD11 LEU 37 HD11 LEU 37 -13.687 2.119 14.828 71 HD12 LEU 37 HD12 LEU 37 -12.395 2.397 15.995 72 HD13 LEU 37 HD13 LEU 37 -13.241 3.765 15.274 73 HD21 LEU 37 HD21 LEU 37 -14.747 0.646 16.409 74 HD22 LEU 37 HD22 LEU 37 -15.420 1.259 17.917 75 HD23 LEU 37 HD23 LEU 37 -13.687 0.962 17.783 76 H TPO 38 HN TPO 38 -16.257 1.732 19.637 77 HA TPO 38 HA TPO 38 -15.035 1.216 22.186 78 HB TPO 38 HB TPO 38 -17.038 -0.392 20.583 79 HG21 TPO 38 HG21 TPO 38 -17.580 -1.526 22.672 80 HG22 TPO 38 HG22 TPO 38 -16.262 -0.679 23.481 81 HG23 TPO 38 HG23 TPO 38 -15.910 -1.836 22.197 82 HA PRO 39 HA PRO 39 -11.501 -1.129 20.908 83 HB2 PRO 39 HB2 PRO 39 -12.287 -2.730 23.313 84 HB3 PRO 39 HB3 PRO 39 -10.698 -2.106 22.847 85 HG2 PRO 39 HG2 PRO 39 -12.103 -0.868 24.718 86 HG3 PRO 39 HG3 PRO 39 -11.218 0.068 23.498 87 HD2 PRO 39 HD2 PRO 39 -14.146 -0.465 23.721 88 HD3 PRO 39 HD3 PRO 39 -13.302 0.983 23.136 89 H SER 40 HN SER 40 -12.167 -2.125 19.043 90 HA SER 40 HA SER 40 -12.534 -4.922 19.104 91 HB2 SER 40 HB2 SER 40 -14.831 -4.403 19.727 92 HB3 SER 40 HB3 SER 40 -14.983 -3.296 18.364 93 HG SER 40 HG SER 40 -15.803 -5.086 17.525 94 H SEP 41 HN SEP 41 -14.045 -2.675 16.798 95 HA SEP 41 HA SEP 41 -12.815 -3.783 14.543 96 HB2 SEP 41 HB2 SEP 41 -14.618 -1.606 15.091 97 HB3 SEP 41 HB3 SEP 41 -13.398 -1.087 13.925 98 H LYS 42 HN LYS 42 -11.872 -1.072 16.578 99 HA LYS 42 HA LYS 42 -9.653 -0.289 14.947 100 HB2 LYS 42 HB2 LYS 42 -9.024 1.127 16.874 101 HB3 LYS 42 HB3 LYS 42 -10.705 1.339 16.405 102 HG2 LYS 42 HG2 LYS 42 -11.420 -0.066 18.259 103 HG3 LYS 42 HG3 LYS 42 -9.736 -0.338 18.714 104 HD2 LYS 42 HD2 LYS 42 -9.460 2.056 19.137 105 HD3 LYS 42 HD3 LYS 42 -11.138 2.336 18.669 106 HE2 LYS 42 HE2 LYS 42 -11.898 0.938 20.515 107 HE3 LYS 42 HE3 LYS 42 -10.226 0.614 20.972 108 HZ1 LYS 42 HZ1 LYS 42 -9.933 2.972 21.425 109 HZ2 LYS 42 HZ2 LYS 42 -11.197 2.336 22.352 110 HZ3 LYS 42 HZ3 LYS 42 -11.541 3.279 20.990 111 H GLU 43 HN GLU 43 -10.096 -2.376 17.749 112 HA GLU 43 HA GLU 43 -7.402 -2.794 18.411 113 HB2 GLU 43 HB2 GLU 43 -9.310 -3.413 19.853 114 HB3 GLU 43 HB3 GLU 43 -9.730 -4.698 18.730 115 HG2 GLU 43 HG2 GLU 43 -7.575 -5.779 19.179 116 HG3 GLU 43 HG3 GLU 43 -7.188 -4.501 20.331 117 H MET 44 HN MET 44 -9.517 -4.471 16.104 118 HA MET 44 HA MET 44 -7.436 -6.364 15.406 119 HB2 MET 44 HB2 MET 44 -9.068 -7.297 13.845 120 HB3 MET 44 HB3 MET 44 -9.764 -7.110 15.447 121 HG2 MET 44 HG2 MET 44 -10.959 -5.139 14.743 122 HG3 MET 44 HG3 MET 44 -10.180 -5.191 13.164 123 HE1 MET 44 HE1 MET 44 -13.554 -5.222 13.794 124 HE2 MET 44 HE2 MET 44 -13.863 -6.104 12.299 125 HE3 MET 44 HE3 MET 44 -12.629 -4.844 12.341 126 H MET 45 HN MET 45 -8.687 -3.337 14.199 127 HA MET 45 HA MET 45 -7.846 -3.438 11.546 128 HB2 MET 45 HB2 MET 45 -9.268 -1.654 12.574 129 HB3 MET 45 HB3 MET 45 -7.822 -0.995 13.324 130 HG2 MET 45 HG2 MET 45 -6.857 -0.575 11.139 131 HG3 MET 45 HG3 MET 45 -8.272 -1.285 10.365 132 HE1 MET 45 HE1 MET 45 -8.601 0.841 8.867 133 HE2 MET 45 HE2 MET 45 -7.189 1.609 9.593 134 HE3 MET 45 HE3 MET 45 -8.714 2.487 9.490 135 H SER 46 HN SER 46 -6.051 -2.407 14.447 136 HA SER 46 HA SER 46 -3.671 -1.910 12.881 137 HB2 SER 46 HB2 SER 46 -2.613 -1.361 15.060 138 HB3 SER 46 HB3 SER 46 -4.123 -0.482 14.824 139 HG SER 46 HG SER 46 -3.482 -2.459 16.656 140 H GLN 47 HN GLN 47 -5.017 -4.498 14.787 141 HA GLN 47 HA GLN 47 -2.792 -6.025 15.411 142 HB2 GLN 47 HB2 GLN 47 -5.121 -6.515 16.115 143 HB3 GLN 47 HB3 GLN 47 -5.477 -7.052 14.479 144 HG2 GLN 47 HG2 GLN 47 -3.803 -8.825 14.705 145 HG3 GLN 47 HG3 GLN 47 -3.476 -8.295 16.354 146 HE21 GLN 47 HE21 GLN 47 -5.729 -9.894 14.244 147 HE22 GLN 47 HE22 GLN 47 -6.735 -10.550 15.486 148 H ALA 48 HN ALA 48 -4.758 -6.122 12.442 149 HA ALA 48 HA ALA 48 -3.021 -7.982 11.124 150 HB1 ALA 48 HB1 ALA 48 -4.454 -7.637 9.182 151 HB2 ALA 48 HB2 ALA 48 -5.240 -6.284 9.996 152 HB3 ALA 48 HB3 ALA 48 -5.412 -7.919 10.636 153 H LEU 49 HN LEU 49 -3.351 -4.478 11.193 154 HA LEU 49 HA LEU 49 -1.854 -3.863 8.897 155 HB2 LEU 49 HB2 LEU 49 -3.283 -2.281 10.208 156 HB3 LEU 49 HB3 LEU 49 -2.038 -2.248 11.441 157 HG LEU 49 HG LEU 49 -0.455 -1.299 9.792 158 HD11 LEU 49 HD11 LEU 49 -1.403 -2.195 7.753 159 HD12 LEU 49 HD12 LEU 49 -1.344 -0.434 7.666 160 HD13 LEU 49 HD13 LEU 49 -2.874 -1.250 7.990 161 HD21 LEU 49 HD21 LEU 49 -1.487 0.926 9.681 162 HD22 LEU 49 HD22 LEU 49 -1.695 0.180 11.265 163 HD23 LEU 49 HD23 LEU 49 -3.041 0.219 10.125 164 H LYS 50 HN LYS 50 -0.868 -4.288 12.283 165 HA LYS 50 HA LYS 50 1.867 -3.702 11.906 166 HB2 LYS 50 HB2 LYS 50 0.487 -5.371 14.011 167 HB3 LYS 50 HB3 LYS 50 2.175 -4.885 14.083 168 HG2 LYS 50 HG2 LYS 50 1.604 -2.599 14.304 169 HG3 LYS 50 HG3 LYS 50 -0.084 -2.912 13.899 170 HD2 LYS 50 HD2 LYS 50 -0.298 -4.255 15.958 171 HD3 LYS 50 HD3 LYS 50 1.371 -3.854 16.369 172 HE2 LYS 50 HE2 LYS 50 0.802 -1.496 16.474 173 HE3 LYS 50 HE3 LYS 50 -0.851 -1.851 15.977 174 HZ1 LYS 50 HZ1 LYS 50 -0.673 -1.528 18.370 175 HZ2 LYS 50 HZ2 LYS 50 0.431 -2.805 18.482 176 HZ3 LYS 50 HZ3 LYS 50 -1.165 -3.107 18.008 177 H ALA 51 HN ALA 51 -0.016 -6.577 11.361 178 HA ALA 51 HA ALA 51 2.160 -8.427 11.316 179 HB1 ALA 51 HB1 ALA 51 -0.177 -9.109 11.716 180 HB2 ALA 51 HB2 ALA 51 0.569 -10.001 10.390 181 HB3 ALA 51 HB3 ALA 51 -0.568 -8.698 10.046 182 H THR 52 HN THR 52 0.694 -6.307 8.924 183 HA THR 52 HA THR 52 1.989 -7.588 6.685 184 HB THR 52 HB THR 52 1.130 -5.705 5.346 185 HG1 THR 52 HG1 THR 52 0.888 -3.908 6.453 186 HG21 THR 52 HG21 THR 52 -1.261 -6.137 5.662 187 HG22 THR 52 HG22 THR 52 -0.922 -6.874 7.228 188 HG23 THR 52 HG23 THR 52 -0.321 -7.628 5.750 189 H PHE 53 HN PHE 53 2.407 -4.546 8.490 190 HA PHE 53 HA PHE 53 4.439 -3.356 7.128 191 HB2 PHE 53 HB2 PHE 53 3.716 -3.436 10.021 192 HB3 PHE 53 HB3 PHE 53 5.237 -2.677 9.561 193 HD1 PHE 53 HD2 PHE 53 1.841 -2.694 7.998 194 HD2 PHE 53 HD1 PHE 53 5.017 -0.398 9.662 195 HE1 PHE 53 HE2 PHE 53 0.640 -0.625 7.429 196 HE2 PHE 53 HE1 PHE 53 3.820 1.675 9.095 197 HZ PHE 53 HZ PHE 53 1.629 1.562 7.978 198 H SER 54 HN SER 54 4.811 -6.033 9.455 199 HA SER 54 HA SER 54 7.601 -6.035 9.589 200 HB2 SER 54 HB2 SER 54 7.392 -8.400 10.291 201 HB3 SER 54 HB3 SER 54 6.226 -7.366 11.115 202 HG SER 54 HG SER 54 4.643 -8.379 10.150 203 H GLY 55 HN GLY 55 5.435 -7.401 7.159 204 HA2 GLY 55 HA2 GLY 55 7.532 -8.822 5.780 205 HA3 GLY 55 HA1 GLY 55 5.880 -8.597 5.225 206 H PHE 56 HN PHE 56 6.724 -5.570 5.940 207 HA PHE 56 HA PHE 56 7.587 -5.022 3.190 208 HB2 PHE 56 HB2 PHE 56 5.525 -3.890 3.984 209 HB3 PHE 56 HB3 PHE 56 6.467 -3.099 5.243 210 HD1 PHE 56 HD1 PHE 56 7.346 -3.673 1.675 211 HD2 PHE 56 HD2 PHE 56 6.372 -0.839 4.700 212 HE1 PHE 56 HE1 PHE 56 7.883 -1.841 0.126 213 HE2 PHE 56 HE2 PHE 56 6.906 0.999 3.152 214 HZ PHE 56 HZ PHE 56 7.664 0.497 0.862 215 H THR 57 HN THR 57 8.290 -4.013 6.533 216 HA THR 57 HA THR 57 10.514 -2.426 6.021 217 HB THR 57 HB THR 57 10.027 -4.149 8.459 218 HG1 THR 57 HG1 THR 57 9.298 -1.450 7.879 219 HG21 THR 57 HG21 THR 57 11.792 -1.728 8.065 220 HG22 THR 57 HG22 THR 57 12.325 -3.377 8.397 221 HG23 THR 57 HG23 THR 57 11.433 -2.475 9.622 222 H LYS 58 HN LYS 58 10.272 -5.923 6.186 223 HA LYS 58 HA LYS 58 13.009 -6.511 6.417 224 HB2 LYS 58 HB2 LYS 58 12.458 -8.709 5.489 225 HB3 LYS 58 HB3 LYS 58 11.285 -8.226 6.705 226 HG2 LYS 58 HG2 LYS 58 9.701 -7.618 4.968 227 HG3 LYS 58 HG3 LYS 58 10.886 -8.027 3.725 228 HD2 LYS 58 HD2 LYS 58 10.924 -10.356 4.664 229 HD3 LYS 58 HD3 LYS 58 9.566 -9.892 5.691 230 HE2 LYS 58 HE2 LYS 58 8.181 -9.476 3.785 231 HE3 LYS 58 HE3 LYS 58 9.543 -9.678 2.685 232 HZ1 LYS 58 HZ1 LYS 58 8.383 -11.809 4.401 233 HZ2 LYS 58 HZ2 LYS 58 9.671 -12.001 3.320 234 HZ3 LYS 58 HZ3 LYS 58 8.126 -11.638 2.736 235 H GLU 59 HN GLU 59 11.023 -5.636 3.668 236 HA GLU 59 HA GLU 59 13.105 -6.155 1.731 237 HB2 GLU 59 HB2 GLU 59 10.807 -6.435 1.034 238 HB3 GLU 59 HB3 GLU 59 10.406 -4.797 1.531 239 HG2 GLU 59 HG2 GLU 59 11.921 -3.931 -0.204 240 HG3 GLU 59 HG3 GLU 59 12.229 -5.584 -0.728 241 H GLN 60 HN GLN 60 11.677 -3.371 3.381 242 HA GLN 60 HA GLN 60 12.923 -1.308 1.992 243 HB2 GLN 60 HB2 GLN 60 12.287 -1.322 4.942 244 HB3 GLN 60 HB3 GLN 60 12.454 0.088 3.906 245 HG2 GLN 60 HG2 GLN 60 10.497 -0.827 2.585 246 HG3 GLN 60 HG3 GLN 60 10.272 -1.964 3.910 247 HE21 GLN 60 HE21 GLN 60 10.101 1.370 2.936 248 HE22 GLN 60 HE22 GLN 60 9.198 1.927 4.299 249 H GLN 61 HN GLN 61 14.176 -3.378 4.541 250 HA GLN 61 HA GLN 61 16.565 -1.779 4.907 251 HB2 GLN 61 HB2 GLN 61 17.238 -3.433 6.499 252 HB3 GLN 61 HB3 GLN 61 15.522 -3.144 6.733 253 HG2 GLN 61 HG2 GLN 61 15.017 -5.180 5.469 254 HG3 GLN 61 HG3 GLN 61 16.742 -5.477 5.272 255 HE21 GLN 61 HE21 GLN 61 14.763 -7.163 6.524 256 HE22 GLN 61 HE22 GLN 61 15.265 -7.389 8.162 257 H ARG 62 HN ARG 62 15.691 -4.718 3.166 258 HA ARG 62 HA ARG 62 18.349 -5.433 2.441 259 HB2 ARG 62 HB2 ARG 62 15.687 -6.187 1.227 260 HB3 ARG 62 HB3 ARG 62 17.223 -6.913 0.772 261 HG2 ARG 62 HG2 ARG 62 17.482 -7.936 2.871 262 HG3 ARG 62 HG3 ARG 62 16.219 -6.944 3.600 263 HD2 ARG 62 HD2 ARG 62 14.593 -8.039 2.034 264 HD3 ARG 62 HD3 ARG 62 15.887 -9.140 1.563 265 HE ARG 62 HE ARG 62 15.861 -9.437 4.224 266 HH11 ARG 62 HH11 ARG 62 13.253 -9.467 1.884 267 HH12 ARG 62 HH12 ARG 62 12.273 -10.552 2.810 268 HH21 ARG 62 HH21 ARG 62 14.564 -10.866 5.437 269 HH22 ARG 62 HH22 ARG 62 13.015 -11.345 4.827 270 H LEU 63 HN LEU 63 15.816 -3.531 0.847 271 HA LEU 63 HA LEU 63 17.566 -3.033 -1.456 272 HB2 LEU 63 HB2 LEU 63 14.693 -2.235 -1.012 273 HB3 LEU 63 HB3 LEU 63 15.594 -2.100 -2.510 274 HG LEU 63 HG LEU 63 14.870 -4.698 -1.147 275 HD11 LEU 63 HD11 LEU 63 13.325 -4.992 -3.028 276 HD12 LEU 63 HD12 LEU 63 13.713 -3.365 -3.590 277 HD13 LEU 63 HD13 LEU 63 12.906 -3.593 -2.039 278 HD21 LEU 63 HD21 LEU 63 16.172 -4.140 -3.808 279 HD22 LEU 63 HD22 LEU 63 15.640 -5.723 -3.240 280 HD23 LEU 63 HD23 LEU 63 16.938 -4.876 -2.400 281 H GLY 64 HN GLY 64 16.265 -1.428 1.371 282 HA2 GLY 64 HA2 GLY 64 17.210 0.550 2.260 283 HA3 GLY 64 HA1 GLY 64 17.810 0.959 0.660 284 H ILE 65 HN ILE 65 14.643 -0.077 0.399 285 HA ILE 65 HA ILE 65 13.598 2.324 -0.500 286 HB ILE 65 HB ILE 65 12.023 0.066 0.748 287 HG12 ILE 65 HG12 ILE 65 12.656 0.488 -2.177 288 HG13 ILE 65 HG13 ILE 65 13.602 -0.569 -1.135 289 HG21 ILE 65 HG21 ILE 65 10.716 2.102 0.488 290 HG22 ILE 65 HG22 ILE 65 10.182 0.869 -0.654 291 HG23 ILE 65 HG23 ILE 65 11.190 2.207 -1.207 292 HD11 ILE 65 HD11 ILE 65 12.014 -1.848 -2.416 293 HD12 ILE 65 HD12 ILE 65 10.684 -0.867 -1.799 294 HD13 ILE 65 HD13 ILE 65 11.594 -1.909 -0.705 295 HA PRO 66 HA PRO 66 13.178 4.611 3.327 296 HB2 PRO 66 HB2 PRO 66 11.517 6.408 1.678 297 HB3 PRO 66 HB3 PRO 66 12.989 6.755 2.587 298 HG2 PRO 66 HG2 PRO 66 12.977 6.643 -0.094 299 HG3 PRO 66 HG3 PRO 66 14.371 6.104 0.861 300 HD2 PRO 66 HD2 PRO 66 12.256 4.483 -0.494 301 HD3 PRO 66 HD3 PRO 66 13.996 4.168 -0.340 302 H LYS 67 HN LYS 67 11.358 5.568 4.604 303 HA LYS 67 HA LYS 67 8.972 3.881 4.347 304 HB2 LYS 67 HB2 LYS 67 10.027 5.501 6.672 305 HB3 LYS 67 HB3 LYS 67 8.515 4.608 6.700 306 HG2 LYS 67 HG2 LYS 67 10.043 3.218 7.774 307 HG3 LYS 67 HG3 LYS 67 9.914 2.550 6.147 308 HD2 LYS 67 HD2 LYS 67 11.991 3.526 5.499 309 HD3 LYS 67 HD3 LYS 67 12.074 4.478 6.981 310 HE2 LYS 67 HE2 LYS 67 13.578 2.587 7.126 311 HE3 LYS 67 HE3 LYS 67 12.261 2.401 8.282 312 HZ1 LYS 67 HZ1 LYS 67 11.186 0.860 6.788 313 HZ2 LYS 67 HZ2 LYS 67 12.764 0.337 7.096 314 HZ3 LYS 67 HZ3 LYS 67 12.394 1.081 5.625 315 H ASP 68 HN ASP 68 9.305 6.156 2.605 316 HA ASP 68 HA ASP 68 6.812 7.508 3.188 317 HB2 ASP 68 HB2 ASP 68 8.503 8.888 4.363 318 HB3 ASP 68 HB3 ASP 68 9.344 9.122 2.833 319 HA PRO 69 HA PRO 69 6.732 6.766 -1.256 320 HB2 PRO 69 HB2 PRO 69 4.262 7.918 -1.605 321 HB3 PRO 69 HB3 PRO 69 4.513 6.255 -1.069 322 HG2 PRO 69 HG2 PRO 69 3.927 8.699 0.553 323 HG3 PRO 69 HG3 PRO 69 3.255 7.065 0.707 324 HD2 PRO 69 HD2 PRO 69 5.180 7.941 2.347 325 HD3 PRO 69 HD3 PRO 69 5.144 6.259 1.782 326 H ARG 70 HN ARG 70 5.771 9.915 0.190 327 HA ARG 70 HA ARG 70 6.017 11.481 -2.087 328 HB2 ARG 70 HB2 ARG 70 6.737 12.251 0.749 329 HB3 ARG 70 HB3 ARG 70 6.418 13.373 -0.564 330 HG2 ARG 70 HG2 ARG 70 4.174 13.070 -0.469 331 HG3 ARG 70 HG3 ARG 70 4.309 11.391 0.054 332 HD2 ARG 70 HD2 ARG 70 4.924 12.103 2.286 333 HD3 ARG 70 HD3 ARG 70 4.898 13.793 1.779 334 HE ARG 70 HE ARG 70 2.401 12.494 1.309 335 HH11 ARG 70 HH11 ARG 70 4.335 14.026 3.794 336 HH12 ARG 70 HH12 ARG 70 2.968 14.444 4.770 337 HH21 ARG 70 HH21 ARG 70 0.607 13.046 2.602 338 HH22 ARG 70 HH22 ARG 70 0.853 13.889 4.095 339 H GLN 71 HN GLN 71 8.514 10.295 0.099 340 HA GLN 71 HA GLN 71 10.598 11.563 -1.520 341 HB2 GLN 71 HB2 GLN 71 10.754 10.144 1.142 342 HB3 GLN 71 HB3 GLN 71 12.125 10.862 0.306 343 HG2 GLN 71 HG2 GLN 71 11.230 13.055 0.562 344 HG3 GLN 71 HG3 GLN 71 9.703 12.420 1.171 345 HE21 GLN 71 HE21 GLN 71 9.613 11.581 3.273 346 HE22 GLN 71 HE22 GLN 71 10.825 11.950 4.447 347 H TRP 72 HN TRP 72 9.301 9.599 -2.877 348 HA TRP 72 HA TRP 72 11.248 7.370 -2.904 349 HB2 TRP 72 HB2 TRP 72 8.275 7.415 -3.165 350 HB3 TRP 72 HB3 TRP 72 9.147 6.285 -4.180 351 HD1 TRP 72 HD1 TRP 72 10.900 6.593 -0.927 352 HE1 TRP 72 HE1 TRP 72 10.311 4.590 0.579 353 HE3 TRP 72 HE3 TRP 72 6.958 4.715 -3.578 354 HZ2 TRP 72 HZ2 TRP 72 8.421 2.489 0.633 355 HZ3 TRP 72 HZ3 TRP 72 5.814 2.708 -2.737 356 HH2 TRP 72 HH2 TRP 72 6.534 1.620 -0.676 357 H THR 73 HN THR 73 11.190 6.265 -5.179 358 HA THR 73 HA THR 73 10.800 8.223 -7.274 359 HB THR 73 HB THR 73 13.215 8.162 -6.746 360 HG1 THR 73 HG1 THR 73 13.376 8.557 -8.812 361 HG21 THR 73 HG21 THR 73 13.296 5.819 -5.986 362 HG22 THR 73 HG22 THR 73 14.515 6.158 -7.214 363 HG23 THR 73 HG23 THR 73 13.046 5.284 -7.647 364 H GLU 74 HN GLU 74 11.260 6.899 -9.544 365 HA GLU 74 HA GLU 74 9.038 5.315 -9.930 366 HB2 GLU 74 HB2 GLU 74 11.650 5.240 -11.451 367 HB3 GLU 74 HB3 GLU 74 10.143 4.526 -12.009 368 HG2 GLU 74 HG2 GLU 74 9.125 6.806 -11.893 369 HG3 GLU 74 HG3 GLU 74 10.736 7.439 -11.568 370 H THR 75 HN THR 75 12.332 4.238 -9.132 371 HA THR 75 HA THR 75 11.824 1.484 -9.344 372 HB THR 75 HB THR 75 13.847 2.766 -7.499 373 HG1 THR 75 HG1 THR 75 14.044 2.108 -10.271 374 HG21 THR 75 HG21 THR 75 15.118 0.682 -7.941 375 HG22 THR 75 HG22 THR 75 13.732 0.061 -8.840 376 HG23 THR 75 HG23 THR 75 13.588 0.389 -7.113 377 H HIS 76 HN HIS 76 11.830 3.608 -6.467 378 HA HIS 76 HA HIS 76 11.139 1.632 -4.595 379 HB2 HIS 76 HB2 HIS 76 10.631 4.608 -4.543 380 HB3 HIS 76 HB3 HIS 76 10.340 3.542 -3.174 381 HD1 HIS 76 HD1 HIS 76 12.543 5.951 -3.583 382 HD2 HIS 76 HD2 HIS 76 13.190 1.852 -3.382 383 HE1 HIS 76 HE1 HIS 76 14.935 5.684 -2.860 384 HE2 HIS 76 HE2 HIS 76 15.327 3.195 -2.821 385 H VAL 77 HN VAL 77 9.117 3.745 -6.576 386 HA VAL 77 HA VAL 77 6.604 3.102 -5.449 387 HB VAL 77 HB VAL 77 7.355 4.026 -8.236 388 HG11 VAL 77 HG11 VAL 77 5.222 2.864 -8.357 389 HG12 VAL 77 HG12 VAL 77 4.974 4.605 -8.503 390 HG13 VAL 77 HG13 VAL 77 4.618 3.788 -6.981 391 HG21 VAL 77 HG21 VAL 77 6.423 6.175 -7.386 392 HG22 VAL 77 HG22 VAL 77 7.876 5.642 -6.539 393 HG23 VAL 77 HG23 VAL 77 6.293 5.435 -5.790 394 H ARG 78 HN ARG 78 8.199 1.875 -8.414 395 HA ARG 78 HA ARG 78 6.252 -0.103 -9.011 396 HB2 ARG 78 HB2 ARG 78 7.780 0.824 -10.689 397 HB3 ARG 78 HB3 ARG 78 9.155 0.114 -9.854 398 HG2 ARG 78 HG2 ARG 78 8.320 -2.116 -10.330 399 HG3 ARG 78 HG3 ARG 78 6.900 -1.428 -11.123 400 HD2 ARG 78 HD2 ARG 78 9.731 -0.882 -11.985 401 HD3 ARG 78 HD3 ARG 78 8.736 -2.165 -12.669 402 HE ARG 78 HE ARG 78 8.275 0.724 -12.948 403 HH11 ARG 78 HH11 ARG 78 7.512 -2.561 -13.922 404 HH12 ARG 78 HH12 ARG 78 6.610 -2.062 -15.311 405 HH21 ARG 78 HH21 ARG 78 7.083 1.360 -14.776 406 HH22 ARG 78 HH22 ARG 78 6.364 0.159 -15.795 407 H ASP 79 HN ASP 79 9.470 -0.372 -7.444 408 HA ASP 79 HA ASP 79 9.434 -3.131 -7.101 409 HB2 ASP 79 HB2 ASP 79 11.418 -1.688 -6.669 410 HB3 ASP 79 HB3 ASP 79 10.652 -1.099 -5.197 411 H TRP 80 HN TRP 80 8.053 -0.573 -5.081 412 HA TRP 80 HA TRP 80 7.246 -2.270 -2.972 413 HB2 TRP 80 HB2 TRP 80 7.295 0.030 -2.420 414 HB3 TRP 80 HB3 TRP 80 6.352 0.478 -3.838 415 HD1 TRP 80 HD1 TRP 80 5.790 -1.523 -0.551 416 HE1 TRP 80 HE1 TRP 80 3.383 -1.083 0.236 417 HE3 TRP 80 HE3 TRP 80 4.206 1.431 -4.409 418 HZ2 TRP 80 HZ2 TRP 80 1.106 0.335 -0.660 419 HZ3 TRP 80 HZ3 TRP 80 1.901 2.289 -4.369 420 HH2 TRP 80 HH2 TRP 80 0.385 1.750 -2.533 421 H VAL 81 HN VAL 81 5.213 -0.707 -5.474 422 HA VAL 81 HA VAL 81 2.874 -1.991 -5.255 423 HB VAL 81 HB VAL 81 4.357 -1.424 -7.828 424 HG11 VAL 81 HG11 VAL 81 2.177 -1.577 -8.959 425 HG12 VAL 81 HG12 VAL 81 1.457 -2.174 -7.464 426 HG13 VAL 81 HG13 VAL 81 2.692 -3.125 -8.291 427 HG21 VAL 81 HG21 VAL 81 2.080 0.065 -6.538 428 HG22 VAL 81 HG22 VAL 81 3.038 0.566 -7.931 429 HG23 VAL 81 HG23 VAL 81 3.778 0.487 -6.332 430 H MET 82 HN MET 82 5.570 -3.327 -7.187 431 HA MET 82 HA MET 82 4.432 -5.786 -7.820 432 HB2 MET 82 HB2 MET 82 7.313 -4.981 -7.408 433 HB3 MET 82 HB3 MET 82 6.843 -6.575 -7.986 434 HG2 MET 82 HG2 MET 82 5.791 -5.610 -9.924 435 HG3 MET 82 HG3 MET 82 6.121 -3.984 -9.329 436 HE1 MET 82 HE1 MET 82 8.462 -4.243 -12.416 437 HE2 MET 82 HE2 MET 82 7.006 -3.532 -11.717 438 HE3 MET 82 HE3 MET 82 6.982 -5.194 -12.307 439 H TRP 83 HN TRP 83 6.471 -4.909 -5.042 440 HA TRP 83 HA TRP 83 6.596 -7.407 -3.809 441 HB2 TRP 83 HB2 TRP 83 8.069 -5.800 -2.975 442 HB3 TRP 83 HB3 TRP 83 6.817 -4.581 -2.814 443 HD1 TRP 83 HD1 TRP 83 8.498 -7.403 -0.933 444 HE1 TRP 83 HE1 TRP 83 7.635 -7.434 1.488 445 HE3 TRP 83 HE3 TRP 83 4.670 -4.048 -1.397 446 HZ2 TRP 83 HZ2 TRP 83 5.584 -6.203 3.001 447 HZ3 TRP 83 HZ3 TRP 83 3.305 -3.532 0.581 448 HH2 TRP 83 HH2 TRP 83 3.754 -4.589 2.736 449 H ALA 84 HN ALA 84 4.095 -4.924 -3.696 450 HA ALA 84 HA ALA 84 2.587 -6.160 -1.596 451 HB1 ALA 84 HB1 ALA 84 0.868 -4.513 -2.132 452 HB2 ALA 84 HB2 ALA 84 1.740 -4.068 -3.599 453 HB3 ALA 84 HB3 ALA 84 2.456 -3.756 -2.018 454 H VAL 85 HN VAL 85 2.902 -6.730 -4.959 455 HA VAL 85 HA VAL 85 0.282 -7.889 -5.340 456 HB VAL 85 HB VAL 85 2.729 -7.946 -7.116 457 HG11 VAL 85 HG11 VAL 85 1.170 -8.672 -8.886 458 HG12 VAL 85 HG12 VAL 85 -0.101 -8.828 -7.673 459 HG13 VAL 85 HG13 VAL 85 1.328 -9.859 -7.591 460 HG21 VAL 85 HG21 VAL 85 1.837 -5.713 -6.845 461 HG22 VAL 85 HG22 VAL 85 0.215 -6.285 -7.225 462 HG23 VAL 85 HG23 VAL 85 1.472 -6.308 -8.463 463 H ASN 86 HN ASN 86 3.558 -8.973 -4.646 464 HA ASN 86 HA ASN 86 2.884 -11.775 -4.899 465 HB2 ASN 86 HB2 ASN 86 5.385 -10.389 -3.913 466 HB3 ASN 86 HB3 ASN 86 5.216 -12.134 -4.073 467 HD21 ASN 86 HD21 ASN 86 5.085 -13.049 -6.139 468 HD22 ASN 86 HD22 ASN 86 5.595 -12.187 -7.546 469 H GLU 87 HN GLU 87 3.223 -9.398 -2.328 470 HA GLU 87 HA GLU 87 3.170 -11.307 -0.188 471 HB2 GLU 87 HB2 GLU 87 2.728 -8.316 -0.217 472 HB3 GLU 87 HB3 GLU 87 2.808 -9.289 1.245 473 HG2 GLU 87 HG2 GLU 87 5.058 -9.317 -0.723 474 HG3 GLU 87 HG3 GLU 87 4.903 -8.015 0.452 475 H PHE 88 HN PHE 88 0.779 -9.234 -1.784 476 HA PHE 88 HA PHE 88 -1.337 -10.401 -0.118 477 HB2 PHE 88 HB2 PHE 88 -1.302 -7.964 -1.894 478 HB3 PHE 88 HB3 PHE 88 -2.765 -8.591 -1.145 479 HD1 PHE 88 HD1 PHE 88 -3.070 -8.473 1.275 480 HD2 PHE 88 HD2 PHE 88 0.350 -6.787 -0.617 481 HE1 PHE 88 HE1 PHE 88 -2.594 -7.169 3.305 482 HE2 PHE 88 HE2 PHE 88 0.833 -5.482 1.412 483 HZ PHE 88 HZ PHE 88 -0.642 -5.673 3.375 484 H SER 89 HN SER 89 0.128 -11.301 -2.845 485 HA SER 89 HA SER 89 -0.441 -12.302 -4.816 486 HB2 SER 89 HB2 SER 89 -1.063 -13.992 -3.088 487 HB3 SER 89 HB3 SER 89 -2.711 -13.367 -3.116 488 HG SER 89 HG SER 89 -3.063 -14.455 -4.877 489 H LEU 90 HN LEU 90 -1.152 -9.809 -5.143 490 HA LEU 90 HA LEU 90 -3.952 -9.524 -5.704 491 HB2 LEU 90 HB2 LEU 90 -1.667 -7.660 -6.336 492 HB3 LEU 90 HB3 LEU 90 -3.369 -7.257 -6.437 493 HG LEU 90 HG LEU 90 -1.816 -7.881 -3.923 494 HD11 LEU 90 HD11 LEU 90 -2.216 -5.593 -3.332 495 HD12 LEU 90 HD12 LEU 90 -3.196 -5.343 -4.775 496 HD13 LEU 90 HD13 LEU 90 -1.464 -5.638 -4.927 497 HD21 LEU 90 HD21 LEU 90 -3.873 -7.424 -2.713 498 HD22 LEU 90 HD22 LEU 90 -4.092 -8.789 -3.805 499 HD23 LEU 90 HD23 LEU 90 -4.741 -7.206 -4.232 500 H LYS 91 HN LYS 91 -4.588 -8.557 -7.914 501 HA LYS 91 HA LYS 91 -3.024 -9.530 -10.148 502 HB2 LYS 91 HB2 LYS 91 -4.879 -10.879 -11.085 503 HB3 LYS 91 HB3 LYS 91 -4.228 -11.544 -9.595 504 HG2 LYS 91 HG2 LYS 91 -6.662 -9.796 -9.570 505 HG3 LYS 91 HG3 LYS 91 -6.773 -11.519 -9.932 506 HD2 LYS 91 HD2 LYS 91 -5.646 -12.002 -7.779 507 HD3 LYS 91 HD3 LYS 91 -5.660 -10.276 -7.416 508 HE2 LYS 91 HE2 LYS 91 -8.126 -10.299 -7.584 509 HE3 LYS 91 HE3 LYS 91 -8.067 -12.042 -7.842 510 HZ1 LYS 91 HZ1 LYS 91 -7.067 -10.639 -5.422 511 HZ2 LYS 91 HZ2 LYS 91 -7.083 -12.313 -5.668 512 HZ3 LYS 91 HZ3 LYS 91 -8.539 -11.464 -5.532 513 H GLY 92 HN GLY 92 -3.611 -8.667 -12.150 514 HA2 GLY 92 HA2 GLY 92 -4.825 -7.328 -13.635 515 HA3 GLY 92 HA1 GLY 92 -5.908 -6.892 -12.327 516 H VAL 93 HN VAL 93 -3.004 -6.354 -10.965 517 HA VAL 93 HA VAL 93 -3.196 -3.523 -11.367 518 HB VAL 93 HB VAL 93 -2.609 -4.471 -9.165 519 HG11 VAL 93 HG11 VAL 93 0.052 -5.149 -10.407 520 HG12 VAL 93 HG12 VAL 93 -1.200 -6.323 -9.999 521 HG13 VAL 93 HG13 VAL 93 -0.428 -5.379 -8.726 522 HG21 VAL 93 HG21 VAL 93 -0.493 -2.682 -10.356 523 HG22 VAL 93 HG22 VAL 93 -0.817 -2.891 -8.634 524 HG23 VAL 93 HG23 VAL 93 -2.037 -2.163 -9.678 525 H ASP 94 HN ASP 94 -1.978 -2.214 -12.596 526 HA ASP 94 HA ASP 94 -0.028 -3.497 -14.373 527 HB2 ASP 94 HB2 ASP 94 -1.532 -0.885 -14.617 528 HB3 ASP 94 HB3 ASP 94 -0.342 -1.460 -15.777 529 H PHE 95 HN PHE 95 2.073 -2.986 -14.339 530 HA PHE 95 HA PHE 95 3.021 -1.128 -12.306 531 HB2 PHE 95 HB2 PHE 95 4.647 -2.833 -14.217 532 HB3 PHE 95 HB3 PHE 95 5.231 -2.025 -12.764 533 HD1 PHE 95 HD2 PHE 95 3.742 -2.672 -10.594 534 HD2 PHE 95 HD1 PHE 95 4.330 -5.095 -14.045 535 HE1 PHE 95 HE2 PHE 95 3.210 -4.677 -9.273 536 HE2 PHE 95 HE1 PHE 95 3.796 -7.104 -12.729 537 HZ PHE 95 HZ PHE 95 3.235 -6.896 -10.339 538 H GLN 96 HN GLN 96 2.701 -1.307 -15.780 539 HA GLN 96 HA GLN 96 4.392 0.811 -16.531 540 HB2 GLN 96 HB2 GLN 96 2.899 1.004 -18.523 541 HB3 GLN 96 HB3 GLN 96 3.459 -0.633 -18.219 542 HG2 GLN 96 HG2 GLN 96 1.301 -1.158 -17.166 543 HG3 GLN 96 HG3 GLN 96 0.745 0.474 -17.528 544 HE21 GLN 96 HE21 GLN 96 -0.957 -0.309 -18.789 545 HE22 GLN 96 HE22 GLN 96 -0.699 -0.974 -20.362 546 H LYS 97 HN LYS 97 1.156 0.727 -15.192 547 HA LYS 97 HA LYS 97 0.441 3.449 -15.582 548 HB2 LYS 97 HB2 LYS 97 -0.545 1.146 -14.004 549 HB3 LYS 97 HB3 LYS 97 -0.958 2.736 -13.384 550 HG2 LYS 97 HG2 LYS 97 -2.714 1.879 -14.817 551 HG3 LYS 97 HG3 LYS 97 -1.976 3.316 -15.524 552 HD2 LYS 97 HD2 LYS 97 -0.606 1.866 -16.975 553 HD3 LYS 97 HD3 LYS 97 -1.411 0.452 -16.294 554 HE2 LYS 97 HE2 LYS 97 -2.820 2.696 -17.735 555 HE3 LYS 97 HE3 LYS 97 -2.333 1.180 -18.487 556 HZ1 LYS 97 HZ1 LYS 97 -4.647 1.114 -17.833 557 HZ2 LYS 97 HZ2 LYS 97 -4.243 1.465 -16.229 558 HZ3 LYS 97 HZ3 LYS 97 -3.761 -0.001 -16.920 559 H PHE 98 HN PHE 98 2.247 1.743 -13.065 560 HA PHE 98 HA PHE 98 2.455 4.217 -11.508 561 HB2 PHE 98 HB2 PHE 98 3.213 1.373 -10.812 562 HB3 PHE 98 HB3 PHE 98 3.439 2.755 -9.746 563 HD1 PHE 98 HD1 PHE 98 1.150 4.244 -9.604 564 HD2 PHE 98 HD2 PHE 98 1.414 0.055 -10.309 565 HE1 PHE 98 HE1 PHE 98 -1.134 3.959 -8.737 566 HE2 PHE 98 HE2 PHE 98 -0.870 -0.236 -9.447 567 HZ PHE 98 HZ PHE 98 -2.147 1.718 -8.658 568 H CYS 99 HN CYS 99 3.863 4.030 -14.006 569 HA CYS 99 HA CYS 99 6.652 3.602 -13.298 570 HB2 CYS 99 HB2 CYS 99 5.752 2.891 -15.517 571 HB3 CYS 99 HB3 CYS 99 5.462 4.582 -15.906 572 HG CYS 99 HG CYS 99 8.488 4.743 -15.138 573 H MET 100 HN MET 100 6.202 5.381 -11.613 574 HA MET 100 HA MET 100 7.400 7.831 -12.593 575 HB2 MET 100 HB2 MET 100 5.673 9.327 -11.897 576 HB3 MET 100 HB3 MET 100 4.901 8.113 -12.908 577 HG2 MET 100 HG2 MET 100 4.288 6.919 -10.758 578 HG3 MET 100 HG3 MET 100 4.791 8.386 -9.921 579 HE1 MET 100 HE1 MET 100 1.123 7.883 -12.640 580 HE2 MET 100 HE2 MET 100 2.111 6.584 -11.973 581 HE3 MET 100 HE3 MET 100 2.754 7.612 -13.254 582 H SER 101 HN SER 101 7.794 9.377 -10.738 583 HA SER 101 HA SER 101 9.043 7.939 -8.596 584 HB2 SER 101 HB2 SER 101 9.690 10.169 -7.770 585 HB3 SER 101 HB3 SER 101 9.997 10.031 -9.500 586 HG SER 101 HG SER 101 8.805 11.740 -9.693 587 H GLY 102 HN GLY 102 8.656 8.319 -6.315 588 HA2 GLY 102 HA2 GLY 102 6.040 7.777 -5.526 589 HA3 GLY 102 HA1 GLY 102 7.326 8.301 -4.454 590 H ALA 103 HN ALA 103 7.801 10.868 -5.503 591 HA ALA 103 HA ALA 103 5.964 12.447 -4.143 592 HB1 ALA 103 HB1 ALA 103 7.725 13.230 -6.470 593 HB2 ALA 103 HB2 ALA 103 8.181 13.236 -4.766 594 HB3 ALA 103 HB3 ALA 103 6.944 14.347 -5.351 595 H ALA 104 HN ALA 104 5.999 11.435 -7.531 596 HA ALA 104 HA ALA 104 3.809 13.074 -8.362 597 HB1 ALA 104 HB1 ALA 104 4.880 10.547 -9.625 598 HB2 ALA 104 HB2 ALA 104 5.483 12.176 -9.932 599 HB3 ALA 104 HB3 ALA 104 3.837 11.744 -10.393 600 H LEU 105 HN LEU 105 4.153 9.677 -7.401 601 HA LEU 105 HA LEU 105 1.558 8.781 -7.816 602 HB2 LEU 105 HB2 LEU 105 3.631 7.464 -7.164 603 HB3 LEU 105 HB3 LEU 105 3.309 7.949 -5.511 604 HG LEU 105 HG LEU 105 1.074 6.837 -5.697 605 HD11 LEU 105 HD11 LEU 105 0.823 6.861 -8.106 606 HD12 LEU 105 HD12 LEU 105 0.770 5.203 -7.508 607 HD13 LEU 105 HD13 LEU 105 2.230 5.813 -8.285 608 HD21 LEU 105 HD21 LEU 105 3.510 5.117 -6.145 609 HD22 LEU 105 HD22 LEU 105 1.977 4.565 -5.474 610 HD23 LEU 105 HD23 LEU 105 2.948 5.746 -4.596 611 H CYS 106 HN CYS 106 2.929 10.363 -4.932 612 HA CYS 106 HA CYS 106 0.566 10.219 -3.376 613 HB2 CYS 106 HB2 CYS 106 2.898 12.140 -3.201 614 HB3 CYS 106 HB3 CYS 106 1.644 11.971 -1.978 615 HG CYS 106 HG CYS 106 3.076 9.063 -2.714 616 H ALA 107 HN ALA 107 1.868 12.677 -5.558 617 HA ALA 107 HA ALA 107 -0.054 14.682 -5.070 618 HB1 ALA 107 HB1 ALA 107 2.078 15.117 -6.188 619 HB2 ALA 107 HB2 ALA 107 0.715 15.680 -7.154 620 HB3 ALA 107 HB3 ALA 107 1.537 14.181 -7.583 621 H LEU 108 HN LEU 108 -0.198 11.759 -6.938 622 HA LEU 108 HA LEU 108 -2.288 12.475 -8.707 623 HB2 LEU 108 HB2 LEU 108 -1.237 9.840 -7.722 624 HB3 LEU 108 HB3 LEU 108 -2.598 9.933 -8.818 625 HG LEU 108 HG LEU 108 0.160 11.011 -9.398 626 HD11 LEU 108 HD11 LEU 108 -1.234 8.516 -10.352 627 HD12 LEU 108 HD12 LEU 108 0.192 8.599 -9.319 628 HD13 LEU 108 HD13 LEU 108 0.285 9.138 -10.995 629 HD21 LEU 108 HD21 LEU 108 -2.271 10.736 -11.162 630 HD22 LEU 108 HD22 LEU 108 -0.675 11.281 -11.677 631 HD23 LEU 108 HD23 LEU 108 -1.612 12.249 -10.539 632 H GLY 109 HN GLY 109 -2.273 11.078 -5.456 633 HA2 GLY 109 HA2 GLY 109 -3.989 11.105 -3.894 634 HA3 GLY 109 HA1 GLY 109 -5.049 11.795 -5.114 635 H LYS 110 HN LYS 110 -6.246 10.019 -3.614 636 HA LYS 110 HA LYS 110 -5.976 7.306 -4.259 637 HB2 LYS 110 HB2 LYS 110 -7.241 8.098 -2.314 638 HB3 LYS 110 HB3 LYS 110 -8.458 8.789 -3.379 639 HG2 LYS 110 HG2 LYS 110 -9.095 6.605 -4.156 640 HG3 LYS 110 HG3 LYS 110 -7.779 5.858 -3.251 641 HD2 LYS 110 HD2 LYS 110 -9.779 5.533 -1.998 642 HD3 LYS 110 HD3 LYS 110 -8.825 6.759 -1.161 643 HE2 LYS 110 HE2 LYS 110 -10.195 8.517 -2.129 644 HE3 LYS 110 HE3 LYS 110 -11.118 7.321 -3.038 645 HZ1 LYS 110 HZ1 LYS 110 -11.892 6.380 -0.955 646 HZ2 LYS 110 HZ2 LYS 110 -12.285 8.024 -1.041 647 HZ3 LYS 110 HZ3 LYS 110 -10.993 7.513 -0.077 648 H GLU 111 HN GLU 111 -8.254 9.720 -5.598 649 HA GLU 111 HA GLU 111 -9.645 8.110 -7.362 650 HB2 GLU 111 HB2 GLU 111 -10.022 10.156 -8.710 651 HB3 GLU 111 HB3 GLU 111 -10.304 10.400 -6.994 652 HG2 GLU 111 HG2 GLU 111 -8.073 11.446 -6.815 653 HG3 GLU 111 HG3 GLU 111 -7.885 11.270 -8.559 654 H CYS 112 HN CYS 112 -6.611 9.882 -8.097 655 HA CYS 112 HA CYS 112 -6.407 8.860 -10.729 656 HB2 CYS 112 HB2 CYS 112 -4.359 10.078 -8.882 657 HB3 CYS 112 HB3 CYS 112 -4.000 9.614 -10.541 658 HG CYS 112 HG CYS 112 -6.008 12.133 -9.437 659 H PHE 113 HN PHE 113 -5.053 7.783 -7.625 660 HA PHE 113 HA PHE 113 -3.374 5.773 -8.643 661 HB2 PHE 113 HB2 PHE 113 -3.377 6.716 -6.293 662 HB3 PHE 113 HB3 PHE 113 -4.783 5.706 -5.970 663 HD1 PHE 113 HD2 PHE 113 -4.568 3.244 -6.020 664 HD2 PHE 113 HD1 PHE 113 -1.194 5.812 -6.363 665 HE1 PHE 113 HE2 PHE 113 -3.086 1.362 -5.468 666 HE2 PHE 113 HE1 PHE 113 0.296 3.933 -5.809 667 HZ PHE 113 HZ PHE 113 -0.649 1.705 -5.362 668 H LEU 114 HN LEU 114 -6.769 5.681 -7.576 669 HA LEU 114 HA LEU 114 -7.114 2.900 -7.967 670 HB2 LEU 114 HB2 LEU 114 -8.898 5.222 -7.505 671 HB3 LEU 114 HB3 LEU 114 -9.629 3.800 -8.224 672 HG LEU 114 HG LEU 114 -8.946 2.443 -6.318 673 HD11 LEU 114 HD11 LEU 114 -7.775 4.995 -5.220 674 HD12 LEU 114 HD12 LEU 114 -6.872 3.576 -5.749 675 HD13 LEU 114 HD13 LEU 114 -7.931 3.474 -4.342 676 HD21 LEU 114 HD21 LEU 114 -10.372 3.469 -4.611 677 HD22 LEU 114 HD22 LEU 114 -11.099 3.571 -6.215 678 HD23 LEU 114 HD23 LEU 114 -10.337 4.992 -5.501 679 H GLU 115 HN GLU 115 -7.164 5.615 -10.137 680 HA GLU 115 HA GLU 115 -8.490 4.251 -12.284 681 HB2 GLU 115 HB2 GLU 115 -6.833 6.770 -12.159 682 HB3 GLU 115 HB3 GLU 115 -7.507 6.156 -13.661 683 HG2 GLU 115 HG2 GLU 115 -9.738 6.420 -12.845 684 HG3 GLU 115 HG3 GLU 115 -9.150 6.834 -11.236 685 H LEU 116 HN LEU 116 -5.277 4.345 -11.027 686 HA LEU 116 HA LEU 116 -4.031 3.312 -13.441 687 HB2 LEU 116 HB2 LEU 116 -2.927 3.828 -10.678 688 HB3 LEU 116 HB3 LEU 116 -1.974 3.300 -12.049 689 HG LEU 116 HG LEU 116 -3.480 5.911 -11.942 690 HD11 LEU 116 HD11 LEU 116 -1.693 5.869 -10.281 691 HD12 LEU 116 HD12 LEU 116 -1.297 6.952 -11.615 692 HD13 LEU 116 HD13 LEU 116 -0.547 5.359 -11.519 693 HD21 LEU 116 HD21 LEU 116 -2.143 6.478 -13.897 694 HD22 LEU 116 HD22 LEU 116 -3.122 5.042 -14.198 695 HD23 LEU 116 HD23 LEU 116 -1.398 4.880 -13.862 696 H ALA 117 HN ALA 117 -5.066 2.173 -10.271 697 HA ALA 117 HA ALA 117 -4.280 -0.564 -11.043 698 HB1 ALA 117 HB1 ALA 117 -4.415 0.639 -8.285 699 HB2 ALA 117 HB2 ALA 117 -2.965 0.162 -9.166 700 HB3 ALA 117 HB3 ALA 117 -4.110 -1.063 -8.629 701 HA PRO 118 HA PRO 118 -8.377 -2.175 -11.087 702 HB2 PRO 118 HB2 PRO 118 -7.395 -4.013 -8.953 703 HB3 PRO 118 HB3 PRO 118 -8.276 -4.380 -10.438 704 HG2 PRO 118 HG2 PRO 118 -5.615 -4.757 -10.192 705 HG3 PRO 118 HG3 PRO 118 -6.389 -4.342 -11.729 706 HD2 PRO 118 HD2 PRO 118 -4.634 -2.722 -10.030 707 HD3 PRO 118 HD3 PRO 118 -5.084 -2.491 -11.726 708 H ASP 119 HN ASP 119 -10.243 -2.553 -9.816 709 HA ASP 119 HA ASP 119 -10.827 -0.606 -7.906 710 HB2 ASP 119 HB2 ASP 119 -12.964 -1.707 -7.675 711 HB3 ASP 119 HB3 ASP 119 -12.490 -1.663 -9.368 712 H PHE 120 HN PHE 120 -9.384 -3.703 -7.435 713 HA PHE 120 HA PHE 120 -10.056 -3.505 -4.602 714 HB2 PHE 120 HB2 PHE 120 -9.387 -5.989 -4.468 715 HB3 PHE 120 HB3 PHE 120 -10.901 -5.594 -5.273 716 HD1 PHE 120 HD1 PHE 120 -10.990 -5.585 -7.766 717 HD2 PHE 120 HD2 PHE 120 -7.639 -7.083 -5.616 718 HE1 PHE 120 HE1 PHE 120 -10.252 -6.792 -9.774 719 HE2 PHE 120 HE2 PHE 120 -6.892 -8.294 -7.622 720 HZ PHE 120 HZ PHE 120 -8.198 -8.150 -9.705 721 H VAL 121 HN VAL 121 -7.331 -4.373 -6.732 722 HA VAL 121 HA VAL 121 -5.403 -4.510 -4.672 723 HB VAL 121 HB VAL 121 -3.712 -4.472 -6.350 724 HG11 VAL 121 HG11 VAL 121 -5.188 -6.471 -6.269 725 HG12 VAL 121 HG12 VAL 121 -4.411 -6.217 -7.831 726 HG13 VAL 121 HG13 VAL 121 -6.107 -5.791 -7.612 727 HG21 VAL 121 HG21 VAL 121 -5.798 -3.239 -8.122 728 HG22 VAL 121 HG22 VAL 121 -4.301 -3.937 -8.737 729 HG23 VAL 121 HG23 VAL 121 -4.244 -2.566 -7.630 730 H GLY 122 HN GLY 122 -6.566 -1.819 -6.653 731 HA2 GLY 122 HA2 GLY 122 -4.641 0.098 -5.966 732 HA3 GLY 122 HA1 GLY 122 -6.288 0.449 -6.463 733 H ASP 123 HN ASP 123 -7.566 -0.917 -4.262 734 HA ASP 123 HA ASP 123 -7.653 1.170 -2.377 735 HB2 ASP 123 HB2 ASP 123 -9.507 -0.450 -2.816 736 HB3 ASP 123 HB3 ASP 123 -8.573 -1.679 -1.968 737 H ILE 124 HN ILE 124 -6.202 -2.080 -2.172 738 HA ILE 124 HA ILE 124 -5.202 -1.908 0.427 739 HB ILE 124 HB ILE 124 -3.930 -3.373 -1.884 740 HG12 ILE 124 HG12 ILE 124 -6.038 -4.294 0.082 741 HG13 ILE 124 HG13 ILE 124 -6.274 -4.010 -1.640 742 HG21 ILE 124 HG21 ILE 124 -3.708 -3.791 1.093 743 HG22 ILE 124 HG22 ILE 124 -2.447 -3.185 0.019 744 HG23 ILE 124 HG23 ILE 124 -3.018 -4.846 -0.141 745 HD11 ILE 124 HD11 ILE 124 -6.078 -6.372 -1.192 746 HD12 ILE 124 HD12 ILE 124 -4.517 -6.117 -0.410 747 HD13 ILE 124 HD13 ILE 124 -4.699 -5.813 -2.138 748 H LEU 125 HN LEU 125 -3.462 -1.387 -2.621 749 HA LEU 125 HA LEU 125 -1.031 -0.569 -1.596 750 HB2 LEU 125 HB2 LEU 125 -2.396 0.359 -4.133 751 HB3 LEU 125 HB3 LEU 125 -0.698 0.594 -3.772 752 HG LEU 125 HG LEU 125 -2.027 -2.099 -4.048 753 HD11 LEU 125 HD11 LEU 125 -2.036 -0.921 -6.174 754 HD12 LEU 125 HD12 LEU 125 -0.867 -2.242 -6.196 755 HD13 LEU 125 HD13 LEU 125 -0.313 -0.578 -6.005 756 HD21 LEU 125 HD21 LEU 125 -0.076 -2.148 -2.607 757 HD22 LEU 125 HD22 LEU 125 0.873 -1.304 -3.832 758 HD23 LEU 125 HD23 LEU 125 0.277 -2.934 -4.145 759 H TRP 126 HN TRP 126 -3.638 1.676 -2.712 760 HA TRP 126 HA TRP 126 -2.276 3.972 -1.764 761 HB2 TRP 126 HB2 TRP 126 -3.904 4.683 -3.226 762 HB3 TRP 126 HB3 TRP 126 -5.019 3.392 -2.792 763 HD1 TRP 126 HD1 TRP 126 -4.208 7.004 -2.028 764 HE1 TRP 126 HE1 TRP 126 -5.941 7.946 -0.378 765 HE3 TRP 126 HE3 TRP 126 -6.588 2.661 -0.797 766 HZ2 TRP 126 HZ2 TRP 126 -8.043 6.970 1.237 767 HZ3 TRP 126 HZ3 TRP 126 -8.447 2.744 0.809 768 HH2 TRP 126 HH2 TRP 126 -9.157 4.853 1.807 769 H GLU 127 HN GLU 127 -4.471 1.756 -0.077 770 HA GLU 127 HA GLU 127 -5.015 3.450 2.124 771 HB2 GLU 127 HB2 GLU 127 -6.115 1.206 1.588 772 HB3 GLU 127 HB3 GLU 127 -4.705 0.439 2.304 773 HG2 GLU 127 HG2 GLU 127 -6.469 0.553 3.928 774 HG3 GLU 127 HG3 GLU 127 -5.159 1.629 4.411 775 H HIS 128 HN HIS 128 -2.542 0.861 1.810 776 HA HIS 128 HA HIS 128 -1.179 1.566 4.196 777 HB2 HIS 128 HB2 HIS 128 -0.957 -0.667 3.270 778 HB3 HIS 128 HB3 HIS 128 -0.269 -0.017 1.788 779 HD1 HIS 128 HD1 HIS 128 2.089 -0.730 1.760 780 HD2 HIS 128 HD2 HIS 128 0.931 0.601 5.521 781 HE1 HIS 128 HE1 HIS 128 4.172 -0.797 3.164 782 HE2 HIS 128 HE2 HIS 128 3.433 -0.056 5.457 783 H LEU 129 HN LEU 129 -0.816 2.452 0.813 784 HA LEU 129 HA LEU 129 1.646 3.780 0.910 785 HB2 LEU 129 HB2 LEU 129 0.349 3.188 -1.146 786 HB3 LEU 129 HB3 LEU 129 -0.750 4.503 -0.786 787 HG LEU 129 HG LEU 129 1.175 6.084 -0.979 788 HD11 LEU 129 HD11 LEU 129 3.193 5.267 -2.144 789 HD12 LEU 129 HD12 LEU 129 2.602 3.616 -1.957 790 HD13 LEU 129 HD13 LEU 129 3.003 4.576 -0.533 791 HD21 LEU 129 HD21 LEU 129 -0.396 5.712 -2.819 792 HD22 LEU 129 HD22 LEU 129 0.610 4.389 -3.409 793 HD23 LEU 129 HD23 LEU 129 1.233 6.039 -3.412 794 H GLU 130 HN GLU 130 -1.659 5.019 1.437 795 HA GLU 130 HA GLU 130 -0.977 7.690 1.861 796 HB2 GLU 130 HB2 GLU 130 -3.295 6.821 1.497 797 HB3 GLU 130 HB3 GLU 130 -3.267 6.193 3.138 798 HG2 GLU 130 HG2 GLU 130 -2.827 8.585 3.876 799 HG3 GLU 130 HG3 GLU 130 -3.267 9.051 2.234 800 H ILE 131 HN ILE 131 -1.159 4.942 4.034 801 HA ILE 131 HA ILE 131 -0.723 6.237 6.482 802 HB ILE 131 HB ILE 131 -0.025 3.454 5.541 803 HG12 ILE 131 HG12 ILE 131 -2.177 4.394 7.443 804 HG13 ILE 131 HG13 ILE 131 -2.437 4.140 5.721 805 HG21 ILE 131 HG21 ILE 131 1.504 3.939 7.311 806 HG22 ILE 131 HG22 ILE 131 0.242 2.881 7.940 807 HG23 ILE 131 HG23 ILE 131 0.212 4.605 8.310 808 HD11 ILE 131 HD11 ILE 131 -3.215 2.243 7.003 809 HD12 ILE 131 HD12 ILE 131 -1.614 2.044 7.716 810 HD13 ILE 131 HD13 ILE 131 -1.847 1.783 5.988 811 H LEU 132 HN LEU 132 1.523 4.962 4.066 812 HA LEU 132 HA LEU 132 3.931 5.474 5.473 813 HB2 LEU 132 HB2 LEU 132 3.397 5.233 2.514 814 HB3 LEU 132 HB3 LEU 132 4.991 5.264 3.243 815 HG LEU 132 HG LEU 132 2.918 3.153 3.838 816 HD11 LEU 132 HD11 LEU 132 5.271 3.034 1.957 817 HD12 LEU 132 HD12 LEU 132 3.572 3.068 1.486 818 HD13 LEU 132 HD13 LEU 132 4.212 1.690 2.382 819 HD21 LEU 132 HD21 LEU 132 4.817 1.932 4.775 820 HD22 LEU 132 HD22 LEU 132 4.577 3.472 5.599 821 HD23 LEU 132 HD23 LEU 132 5.875 3.297 4.418 822 H GLN 133 HN GLN 133 1.990 7.412 3.221 823 HA GLN 133 HA GLN 133 3.749 9.492 2.702 824 HB2 GLN 133 HB2 GLN 133 0.751 9.632 3.075 825 HB3 GLN 133 HB3 GLN 133 1.731 10.892 2.341 826 HG2 GLN 133 HG2 GLN 133 2.296 9.474 0.505 827 HG3 GLN 133 HG3 GLN 133 1.528 8.089 1.277 828 HE21 GLN 133 HE21 GLN 133 0.123 7.726 -0.420 829 HE22 GLN 133 HE22 GLN 133 -1.201 8.775 -0.773 830 H LYS 134 HN LYS 134 1.601 9.027 5.468 831 HA LYS 134 HA LYS 134 1.908 11.518 6.692 832 HB2 LYS 134 HB2 LYS 134 1.537 8.844 8.064 833 HB3 LYS 134 HB3 LYS 134 1.162 10.423 8.742 834 HG2 LYS 134 HG2 LYS 134 -0.638 10.743 7.238 835 HG3 LYS 134 HG3 LYS 134 -0.153 9.358 6.258 836 HD2 LYS 134 HD2 LYS 134 -0.624 7.883 8.191 837 HD3 LYS 134 HD3 LYS 134 -1.209 9.289 9.084 838 HE2 LYS 134 HE2 LYS 134 -2.954 9.640 7.431 839 HE3 LYS 134 HE3 LYS 134 -2.343 8.294 6.471 840 HZ1 LYS 134 HZ1 LYS 134 -2.874 6.797 8.291 841 HZ2 LYS 134 HZ2 LYS 134 -4.253 7.644 7.797 842 HZ3 LYS 134 HZ3 LYS 134 -3.454 8.090 9.219 843 H GLU 135 HN GLU 135 3.849 8.560 7.031 844 HA GLU 135 HA GLU 135 5.684 9.851 8.865 845 HB2 GLU 135 HB2 GLU 135 5.008 7.382 8.929 846 HB3 GLU 135 HB3 GLU 135 6.059 7.166 7.539 847 HG2 GLU 135 HG2 GLU 135 6.906 8.183 10.243 848 HG3 GLU 135 HG3 GLU 135 7.162 6.554 9.625 849 H ASP 136 HN ASP 136 6.872 11.409 7.913 850 HA ASP 136 HA ASP 136 8.120 10.868 5.316 851 HB2 ASP 136 HB2 ASP 136 7.799 13.453 6.853 852 HB3 ASP 136 HB3 ASP 136 8.627 13.308 5.307 853 H VAL 137 HN VAL 137 9.888 9.642 5.768 854 HA VAL 137 HA VAL 137 11.826 10.696 7.712 855 HB VAL 137 HB VAL 137 11.157 8.382 8.129 856 HG11 VAL 137 HG11 VAL 137 10.588 7.735 5.839 857 HG12 VAL 137 HG12 VAL 137 11.710 6.590 6.574 858 HG13 VAL 137 HG13 VAL 137 12.298 7.770 5.404 859 HG21 VAL 137 HG21 VAL 137 13.992 8.583 7.119 860 HG22 VAL 137 HG22 VAL 137 13.378 7.383 8.255 861 HG23 VAL 137 HG23 VAL 137 13.425 9.086 8.712 862 H LYS 138 HN LYS 138 13.716 11.512 7.052 863 HA LYS 138 HA LYS 138 14.294 11.495 4.187 864 HB2 LYS 138 HB2 LYS 138 14.235 13.668 5.337 865 HB3 LYS 138 HB3 LYS 138 15.519 13.137 6.414 866 HG2 LYS 138 HG2 LYS 138 16.426 14.568 4.704 867 HG3 LYS 138 HG3 LYS 138 17.025 12.923 4.477 868 HD2 LYS 138 HD2 LYS 138 15.257 12.576 2.763 869 HD3 LYS 138 HD3 LYS 138 14.807 14.273 2.938 870 HE2 LYS 138 HE2 LYS 138 16.239 14.060 1.029 871 HE3 LYS 138 HE3 LYS 138 17.130 14.892 2.302 872 HZ1 LYS 138 HZ1 LYS 138 17.372 12.002 1.657 873 HZ2 LYS 138 HZ2 LYS 138 18.264 12.838 2.826 874 HZ3 LYS 138 HZ3 LYS 138 18.468 13.200 1.187 Start of MODEL 7 1 H HIS 28 H1 HIS 28 2.518 -11.230 48.609 2 HA HIS 28 HA HIS 28 0.645 -10.777 50.045 3 HB2 HIS 28 HB2 HIS 28 -1.119 -11.928 48.641 4 HB3 HIS 28 HB3 HIS 28 0.088 -11.016 47.746 5 HD1 HIS 28 HD1 HIS 28 -1.122 -14.498 48.364 6 HD2 HIS 28 HD2 HIS 28 1.778 -12.547 46.117 7 HE1 HIS 28 HE1 HIS 28 -0.266 -16.213 46.737 8 HE2 HIS 28 HE2 HIS 28 1.565 -15.040 45.465 9 H MET 29 HN MET 29 1.179 -14.286 49.682 10 HA MET 29 HA MET 29 0.364 -14.733 52.405 11 HB2 MET 29 HB2 MET 29 -1.794 -14.623 51.064 12 HB3 MET 29 HB3 MET 29 -1.261 -16.086 50.248 13 HG2 MET 29 HG2 MET 29 -1.597 -15.874 53.228 14 HG3 MET 29 HG3 MET 29 -2.866 -16.423 52.136 15 HE1 MET 29 HE1 MET 29 -3.091 -18.708 53.506 16 HE2 MET 29 HE2 MET 29 -1.850 -18.119 54.612 17 HE3 MET 29 HE3 MET 29 -1.711 -19.730 53.909 18 H GLU 30 HN GLU 30 0.630 -16.547 49.332 19 HA GLU 30 HA GLU 30 2.141 -18.635 50.685 20 HB2 GLU 30 HB2 GLU 30 1.195 -18.417 47.821 21 HB3 GLU 30 HB3 GLU 30 2.001 -19.818 48.512 22 HG2 GLU 30 HG2 GLU 30 0.156 -20.143 50.058 23 HG3 GLU 30 HG3 GLU 30 -0.646 -18.708 49.421 24 H CYS 31 HN CYS 31 2.578 -16.593 47.785 25 HA CYS 31 HA CYS 31 5.397 -16.288 48.419 26 HB2 CYS 31 HB2 CYS 31 6.092 -16.976 46.118 27 HB3 CYS 31 HB3 CYS 31 5.479 -18.301 47.100 28 HG CYS 31 HG CYS 31 3.084 -18.562 45.815 29 H ALA 32 HN ALA 32 5.605 -14.149 48.390 30 HA ALA 32 HA ALA 32 3.933 -12.340 47.075 31 HB1 ALA 32 HB1 ALA 32 6.771 -11.913 48.006 32 HB2 ALA 32 HB2 ALA 32 5.315 -11.712 48.981 33 HB3 ALA 32 HB3 ALA 32 5.612 -10.643 47.611 34 H ASP 33 HN ASP 33 3.634 -12.416 44.933 35 HA ASP 33 HA ASP 33 5.761 -11.620 43.183 36 HB2 ASP 33 HB2 ASP 33 6.203 -14.043 43.324 37 HB3 ASP 33 HB3 ASP 33 4.551 -14.372 42.810 38 H VAL 34 HN VAL 34 4.810 -10.161 41.921 39 HA VAL 34 HA VAL 34 2.117 -10.735 40.877 40 HB VAL 34 HB VAL 34 3.048 -8.004 41.783 41 HG11 VAL 34 HG11 VAL 34 1.473 -7.907 39.937 42 HG12 VAL 34 HG12 VAL 34 0.701 -7.364 41.427 43 HG13 VAL 34 HG13 VAL 34 0.367 -8.977 40.798 44 HG21 VAL 34 HG21 VAL 34 1.117 -9.916 43.096 45 HG22 VAL 34 HG22 VAL 34 1.402 -8.249 43.597 46 HG23 VAL 34 HG23 VAL 34 2.700 -9.438 43.710 47 HA PRO 35 HA PRO 35 4.862 -9.862 37.291 48 HB2 PRO 35 HB2 PRO 35 2.994 -11.640 35.896 49 HB3 PRO 35 HB3 PRO 35 4.741 -11.790 36.096 50 HG2 PRO 35 HG2 PRO 35 3.011 -13.435 37.347 51 HG3 PRO 35 HG3 PRO 35 4.550 -12.946 38.079 52 HD2 PRO 35 HD2 PRO 35 1.788 -11.898 38.598 53 HD3 PRO 35 HD3 PRO 35 3.082 -12.283 39.755 54 H LEU 36 HN LEU 36 4.501 -8.578 35.478 55 HA LEU 36 HA LEU 36 1.774 -7.487 35.224 56 HB2 LEU 36 HB2 LEU 36 3.461 -5.891 36.077 57 HB3 LEU 36 HB3 LEU 36 4.398 -6.124 34.614 58 HG LEU 36 HG LEU 36 2.518 -5.195 33.290 59 HD11 LEU 36 HD11 LEU 36 1.315 -4.645 36.001 60 HD12 LEU 36 HD12 LEU 36 0.680 -5.742 34.776 61 HD13 LEU 36 HD13 LEU 36 0.720 -4.006 34.468 62 HD21 LEU 36 HD21 LEU 36 4.346 -3.754 33.958 63 HD22 LEU 36 HD22 LEU 36 3.565 -3.439 35.507 64 HD23 LEU 36 HD23 LEU 36 2.824 -2.864 34.014 65 H LEU 37 HN LEU 37 0.760 -7.840 33.376 66 HA LEU 37 HA LEU 37 2.101 -7.802 30.840 67 HB2 LEU 37 HB2 LEU 37 2.602 -10.096 31.583 68 HB3 LEU 37 HB3 LEU 37 0.888 -10.401 31.793 69 HG LEU 37 HG LEU 37 0.561 -10.066 29.354 70 HD11 LEU 37 HD11 LEU 37 2.412 -8.624 28.844 71 HD12 LEU 37 HD12 LEU 37 2.575 -10.109 27.907 72 HD13 LEU 37 HD13 LEU 37 3.568 -9.858 29.344 73 HD21 LEU 37 HD21 LEU 37 1.563 -12.184 28.667 74 HD22 LEU 37 HD22 LEU 37 0.850 -12.307 30.275 75 HD23 LEU 37 HD23 LEU 37 2.598 -12.164 30.095 76 H TPO 38 HN TPO 38 0.612 -6.138 30.449 77 HA TPO 38 HA TPO 38 -2.002 -7.068 29.588 78 HB TPO 38 HB TPO 38 -3.019 -4.967 30.721 79 HG21 TPO 38 HG21 TPO 38 -3.356 -7.414 31.412 80 HG22 TPO 38 HG22 TPO 38 -3.703 -6.157 32.601 81 HG23 TPO 38 HG23 TPO 38 -2.194 -7.066 32.693 82 HA PRO 39 HA PRO 39 -0.563 -4.314 26.332 83 HB2 PRO 39 HB2 PRO 39 -2.616 -4.834 24.619 84 HB3 PRO 39 HB3 PRO 39 -1.232 -5.912 24.826 85 HG2 PRO 39 HG2 PRO 39 -3.966 -6.088 26.033 86 HG3 PRO 39 HG3 PRO 39 -2.970 -7.375 25.326 87 HD2 PRO 39 HD2 PRO 39 -3.161 -7.011 27.993 88 HD3 PRO 39 HD3 PRO 39 -1.667 -7.582 27.224 89 H SER 40 HN SER 40 -1.113 -2.265 25.634 90 HA SER 40 HA SER 40 -3.503 -1.092 26.887 91 HB2 SER 40 HB2 SER 40 -1.285 -0.164 27.568 92 HB3 SER 40 HB3 SER 40 -1.027 0.344 25.899 93 HG SER 40 HG SER 40 -1.925 2.097 26.750 94 H SEP 41 HN SEP 41 -4.461 0.794 25.676 95 HA SEP 41 HA SEP 41 -5.435 0.010 23.195 96 HB2 SEP 41 HB2 SEP 41 -6.456 1.734 24.728 97 HB3 SEP 41 HB3 SEP 41 -5.249 2.879 24.135 98 H LYS 42 HN LYS 42 -2.716 2.153 23.942 99 HA LYS 42 HA LYS 42 -2.202 2.962 21.271 100 HB2 LYS 42 HB2 LYS 42 -0.301 2.800 23.618 101 HB3 LYS 42 HB3 LYS 42 -0.008 3.679 22.124 102 HG2 LYS 42 HG2 LYS 42 -1.912 5.138 22.612 103 HG3 LYS 42 HG3 LYS 42 -2.188 4.261 24.119 104 HD2 LYS 42 HD2 LYS 42 0.018 4.927 24.923 105 HD3 LYS 42 HD3 LYS 42 0.326 5.773 23.407 106 HE2 LYS 42 HE2 LYS 42 -0.333 7.372 25.080 107 HE3 LYS 42 HE3 LYS 42 -1.614 7.237 23.877 108 HZ1 LYS 42 HZ1 LYS 42 -2.881 5.875 25.363 109 HZ2 LYS 42 HZ2 LYS 42 -2.431 7.280 26.189 110 HZ3 LYS 42 HZ3 LYS 42 -1.620 5.827 26.491 111 H GLU 43 HN GLU 43 -0.960 0.304 23.257 112 HA GLU 43 HA GLU 43 0.941 -0.645 21.397 113 HB2 GLU 43 HB2 GLU 43 0.867 -1.241 23.824 114 HB3 GLU 43 HB3 GLU 43 -0.537 -2.245 23.494 115 HG2 GLU 43 HG2 GLU 43 0.820 -3.615 21.974 116 HG3 GLU 43 HG3 GLU 43 2.226 -2.624 22.359 117 H MET 44 HN MET 44 -2.468 -1.420 21.922 118 HA MET 44 HA MET 44 -2.569 -3.523 19.988 119 HB2 MET 44 HB2 MET 44 -4.148 -3.556 21.782 120 HB3 MET 44 HB3 MET 44 -4.684 -1.923 21.424 121 HG2 MET 44 HG2 MET 44 -5.496 -2.838 19.200 122 HG3 MET 44 HG3 MET 44 -5.231 -4.439 19.889 123 HE1 MET 44 HE1 MET 44 -8.080 -1.374 21.834 124 HE2 MET 44 HE2 MET 44 -7.188 -1.016 20.356 125 HE3 MET 44 HE3 MET 44 -6.319 -1.271 21.869 126 H MET 45 HN MET 45 -3.315 -0.067 19.965 127 HA MET 45 HA MET 45 -4.621 0.076 17.497 128 HB2 MET 45 HB2 MET 45 -4.562 1.891 19.188 129 HB3 MET 45 HB3 MET 45 -2.879 2.188 18.776 130 HG2 MET 45 HG2 MET 45 -3.527 2.781 16.509 131 HG3 MET 45 HG3 MET 45 -5.215 2.454 16.899 132 HE1 MET 45 HE1 MET 45 -2.485 4.196 19.161 133 HE2 MET 45 HE2 MET 45 -2.742 5.889 18.738 134 HE3 MET 45 HE3 MET 45 -2.122 4.763 17.531 135 H SER 46 HN SER 46 -1.154 0.412 18.266 136 HA SER 46 HA SER 46 -0.461 0.846 15.513 137 HB2 SER 46 HB2 SER 46 1.302 0.231 17.906 138 HB3 SER 46 HB3 SER 46 1.889 0.714 16.316 139 HG SER 46 HG SER 46 0.619 2.221 18.284 140 H GLN 47 HN GLN 47 -0.778 -1.911 17.602 141 HA GLN 47 HA GLN 47 0.800 -3.857 16.540 142 HB2 GLN 47 HB2 GLN 47 -0.787 -4.166 18.416 143 HB3 GLN 47 HB3 GLN 47 -2.109 -4.217 17.258 144 HG2 GLN 47 HG2 GLN 47 -1.495 -6.449 17.958 145 HG3 GLN 47 HG3 GLN 47 -1.153 -6.221 16.244 146 HE21 GLN 47 HE21 GLN 47 0.988 -6.152 15.543 147 HE22 GLN 47 HE22 GLN 47 2.298 -6.680 16.537 148 H ALA 48 HN ALA 48 -2.396 -2.913 15.255 149 HA ALA 48 HA ALA 48 -2.500 -4.716 13.129 150 HB1 ALA 48 HB1 ALA 48 -3.699 -1.954 13.256 151 HB2 ALA 48 HB2 ALA 48 -4.431 -3.428 13.891 152 HB3 ALA 48 HB3 ALA 48 -4.179 -3.246 12.155 153 H LEU 49 HN LEU 49 -1.153 -1.423 13.213 154 HA LEU 49 HA LEU 49 -0.491 -1.316 10.462 155 HB2 LEU 49 HB2 LEU 49 0.500 0.193 12.867 156 HB3 LEU 49 HB3 LEU 49 1.173 0.470 11.273 157 HG LEU 49 HG LEU 49 -1.187 0.998 10.501 158 HD11 LEU 49 HD11 LEU 49 -2.734 1.743 12.288 159 HD12 LEU 49 HD12 LEU 49 -1.653 1.016 13.477 160 HD13 LEU 49 HD13 LEU 49 -2.456 0.003 12.279 161 HD21 LEU 49 HD21 LEU 49 0.107 2.759 12.579 162 HD22 LEU 49 HD22 LEU 49 -1.109 3.280 11.413 163 HD23 LEU 49 HD23 LEU 49 0.470 2.730 10.853 164 H LYS 50 HN LYS 50 1.321 -2.331 13.327 165 HA LYS 50 HA LYS 50 3.828 -2.703 12.164 166 HB2 LYS 50 HB2 LYS 50 2.541 -4.222 14.434 167 HB3 LYS 50 HB3 LYS 50 4.251 -4.285 14.032 168 HG2 LYS 50 HG2 LYS 50 4.575 -2.025 14.639 169 HG3 LYS 50 HG3 LYS 50 2.839 -1.726 14.728 170 HD2 LYS 50 HD2 LYS 50 2.712 -3.340 16.611 171 HD3 LYS 50 HD3 LYS 50 4.471 -3.482 16.559 172 HE2 LYS 50 HE2 LYS 50 4.720 -1.142 17.086 173 HE3 LYS 50 HE3 LYS 50 2.976 -0.901 16.994 174 HZ1 LYS 50 HZ1 LYS 50 4.368 -2.622 18.975 175 HZ2 LYS 50 HZ2 LYS 50 2.700 -2.356 18.895 176 HZ3 LYS 50 HZ3 LYS 50 3.741 -1.080 19.282 177 H ALA 51 HN ALA 51 1.004 -4.807 12.176 178 HA ALA 51 HA ALA 51 2.029 -7.234 11.436 179 HB1 ALA 51 HB1 ALA 51 -0.094 -7.708 10.377 180 HB2 ALA 51 HB2 ALA 51 -0.463 -5.986 10.286 181 HB3 ALA 51 HB3 ALA 51 -0.355 -6.783 11.855 182 H THR 52 HN THR 52 1.146 -4.592 9.200 183 HA THR 52 HA THR 52 2.243 -5.997 6.931 184 HB THR 52 HB THR 52 1.343 -3.113 7.045 185 HG1 THR 52 HG1 THR 52 -0.670 -3.816 6.892 186 HG21 THR 52 HG21 THR 52 1.626 -5.074 4.765 187 HG22 THR 52 HG22 THR 52 2.633 -3.657 5.060 188 HG23 THR 52 HG23 THR 52 0.933 -3.458 4.631 189 H PHE 53 HN PHE 53 3.114 -3.133 8.850 190 HA PHE 53 HA PHE 53 5.277 -2.167 7.516 191 HB2 PHE 53 HB2 PHE 53 4.859 -2.452 10.489 192 HB3 PHE 53 HB3 PHE 53 6.220 -1.573 9.804 193 HD1 PHE 53 HD2 PHE 53 3.762 -0.970 7.510 194 HD2 PHE 53 HD1 PHE 53 4.739 -0.038 11.548 195 HE1 PHE 53 HE2 PHE 53 2.380 1.058 7.374 196 HE2 PHE 53 HE1 PHE 53 3.359 1.992 11.415 197 HZ PHE 53 HZ PHE 53 2.178 2.543 9.327 198 H SER 54 HN SER 54 5.361 -4.912 9.813 199 HA SER 54 HA SER 54 8.119 -5.349 9.730 200 HB2 SER 54 HB2 SER 54 7.586 -7.645 10.521 201 HB3 SER 54 HB3 SER 54 6.716 -6.401 11.417 202 HG SER 54 HG SER 54 4.872 -7.075 10.595 203 H GLY 55 HN GLY 55 5.553 -6.574 7.600 204 HA2 GLY 55 HA2 GLY 55 7.316 -8.286 6.111 205 HA3 GLY 55 HA1 GLY 55 5.667 -7.859 5.682 206 H PHE 56 HN PHE 56 6.840 -4.943 6.120 207 HA PHE 56 HA PHE 56 7.621 -4.646 3.308 208 HB2 PHE 56 HB2 PHE 56 5.686 -3.309 4.170 209 HB3 PHE 56 HB3 PHE 56 6.802 -2.470 5.242 210 HD1 PHE 56 HD1 PHE 56 7.426 -3.496 1.735 211 HD2 PHE 56 HD2 PHE 56 6.671 -0.278 4.416 212 HE1 PHE 56 HE1 PHE 56 7.935 -1.890 -0.056 213 HE2 PHE 56 HE2 PHE 56 7.180 1.333 2.628 214 HZ PHE 56 HZ PHE 56 7.814 0.527 0.389 215 H THR 57 HN THR 57 8.597 -3.598 6.563 216 HA THR 57 HA THR 57 10.889 -2.182 5.880 217 HB THR 57 HB THR 57 10.541 -3.847 8.379 218 HG1 THR 57 HG1 THR 57 8.913 -2.498 8.654 219 HG21 THR 57 HG21 THR 57 12.823 -2.993 8.016 220 HG22 THR 57 HG22 THR 57 12.046 -2.225 9.401 221 HG23 THR 57 HG23 THR 57 12.177 -1.359 7.870 222 H LYS 58 HN LYS 58 10.453 -5.669 6.230 223 HA LYS 58 HA LYS 58 13.149 -6.427 6.257 224 HB2 LYS 58 HB2 LYS 58 12.397 -8.606 5.425 225 HB3 LYS 58 HB3 LYS 58 11.337 -8.021 6.699 226 HG2 LYS 58 HG2 LYS 58 9.703 -7.325 5.019 227 HG3 LYS 58 HG3 LYS 58 10.771 -7.905 3.741 228 HD2 LYS 58 HD2 LYS 58 10.662 -10.174 4.833 229 HD3 LYS 58 HD3 LYS 58 9.389 -9.526 5.871 230 HE2 LYS 58 HE2 LYS 58 7.996 -9.073 3.959 231 HE3 LYS 58 HE3 LYS 58 9.289 -9.541 2.856 232 HZ1 LYS 58 HZ1 LYS 58 7.658 -11.301 3.108 233 HZ2 LYS 58 HZ2 LYS 58 7.918 -11.344 4.779 234 HZ3 LYS 58 HZ3 LYS 58 9.158 -11.795 3.719 235 H GLU 59 HN GLU 59 10.981 -5.646 3.593 236 HA GLU 59 HA GLU 59 12.892 -6.270 1.533 237 HB2 GLU 59 HB2 GLU 59 10.608 -6.485 0.927 238 HB3 GLU 59 HB3 GLU 59 10.196 -4.913 1.592 239 HG2 GLU 59 HG2 GLU 59 12.164 -4.607 -0.466 240 HG3 GLU 59 HG3 GLU 59 10.807 -5.560 -1.065 241 H GLN 60 HN GLN 60 11.673 -3.362 3.146 242 HA GLN 60 HA GLN 60 12.976 -1.414 1.653 243 HB2 GLN 60 HB2 GLN 60 12.280 -1.420 4.590 244 HB3 GLN 60 HB3 GLN 60 12.737 0.009 3.677 245 HG2 GLN 60 HG2 GLN 60 10.782 -0.266 2.251 246 HG3 GLN 60 HG3 GLN 60 10.332 -1.715 3.144 247 HE21 GLN 60 HE21 GLN 60 10.519 1.749 3.206 248 HE22 GLN 60 HE22 GLN 60 9.555 1.979 4.620 249 H GLN 61 HN GLN 61 14.224 -3.525 4.146 250 HA GLN 61 HA GLN 61 16.705 -2.028 4.404 251 HB2 GLN 61 HB2 GLN 61 15.831 -4.679 5.569 252 HB3 GLN 61 HB3 GLN 61 17.362 -3.892 5.925 253 HG2 GLN 61 HG2 GLN 61 16.232 -2.040 6.957 254 HG3 GLN 61 HG3 GLN 61 14.662 -2.687 6.483 255 HE21 GLN 61 HE21 GLN 61 17.386 -3.041 8.626 256 HE22 GLN 61 HE22 GLN 61 16.622 -4.118 9.741 257 H ARG 62 HN ARG 62 15.576 -5.001 2.880 258 HA ARG 62 HA ARG 62 18.140 -5.940 2.089 259 HB2 ARG 62 HB2 ARG 62 16.000 -7.285 2.297 260 HB3 ARG 62 HB3 ARG 62 15.501 -6.571 0.770 261 HG2 ARG 62 HG2 ARG 62 17.360 -7.586 -0.369 262 HG3 ARG 62 HG3 ARG 62 18.004 -8.199 1.155 263 HD2 ARG 62 HD2 ARG 62 15.366 -8.967 -0.093 264 HD3 ARG 62 HD3 ARG 62 16.828 -9.948 -0.086 265 HE ARG 62 HE ARG 62 16.540 -10.335 2.216 266 HH11 ARG 62 HH11 ARG 62 13.934 -8.391 0.893 267 HH12 ARG 62 HH12 ARG 62 12.875 -8.694 2.226 268 HH21 ARG 62 HH21 ARG 62 15.130 -10.721 3.964 269 HH22 ARG 62 HH22 ARG 62 13.551 -10.011 3.966 270 H LEU 63 HN LEU 63 15.822 -3.731 0.656 271 HA LEU 63 HA LEU 63 17.429 -3.547 -1.813 272 HB2 LEU 63 HB2 LEU 63 14.659 -2.488 -1.272 273 HB3 LEU 63 HB3 LEU 63 15.487 -2.534 -2.818 274 HG LEU 63 HG LEU 63 14.603 -4.956 -1.243 275 HD11 LEU 63 HD11 LEU 63 12.932 -5.225 -2.998 276 HD12 LEU 63 HD12 LEU 63 13.462 -3.717 -3.741 277 HD13 LEU 63 HD13 LEU 63 12.720 -3.699 -2.142 278 HD21 LEU 63 HD21 LEU 63 15.813 -4.707 -3.995 279 HD22 LEU 63 HD22 LEU 63 15.173 -6.190 -3.287 280 HD23 LEU 63 HD23 LEU 63 16.583 -5.411 -2.572 281 H GLY 64 HN GLY 64 16.091 -1.627 0.851 282 HA2 GLY 64 HA2 GLY 64 17.386 0.265 1.652 283 HA3 GLY 64 HA1 GLY 64 17.835 0.597 -0.013 284 H ILE 65 HN ILE 65 14.681 -0.213 -0.215 285 HA ILE 65 HA ILE 65 13.733 2.322 -0.852 286 HB ILE 65 HB ILE 65 12.119 -0.061 0.083 287 HG12 ILE 65 HG12 ILE 65 12.626 0.835 -2.757 288 HG13 ILE 65 HG13 ILE 65 13.660 -0.334 -1.944 289 HG21 ILE 65 HG21 ILE 65 10.799 1.959 0.216 290 HG22 ILE 65 HG22 ILE 65 10.263 0.995 -1.159 291 HG23 ILE 65 HG23 ILE 65 11.274 2.416 -1.420 292 HD11 ILE 65 HD11 ILE 65 10.697 -0.692 -2.294 293 HD12 ILE 65 HD12 ILE 65 11.877 -1.889 -1.754 294 HD13 ILE 65 HD13 ILE 65 11.907 -1.309 -3.419 295 HA PRO 66 HA PRO 66 13.243 3.978 3.280 296 HB2 PRO 66 HB2 PRO 66 12.375 6.434 2.574 297 HB3 PRO 66 HB3 PRO 66 14.062 5.941 2.397 298 HG2 PRO 66 HG2 PRO 66 11.902 6.072 0.334 299 HG3 PRO 66 HG3 PRO 66 13.598 6.568 0.209 300 HD2 PRO 66 HD2 PRO 66 12.644 4.199 -0.761 301 HD3 PRO 66 HD3 PRO 66 14.318 4.432 -0.219 302 H LYS 67 HN LYS 67 11.418 5.205 4.469 303 HA LYS 67 HA LYS 67 8.867 3.973 3.698 304 HB2 LYS 67 HB2 LYS 67 10.051 3.729 6.042 305 HB3 LYS 67 HB3 LYS 67 9.293 5.284 6.352 306 HG2 LYS 67 HG2 LYS 67 7.111 4.368 5.991 307 HG3 LYS 67 HG3 LYS 67 7.797 2.834 5.451 308 HD2 LYS 67 HD2 LYS 67 8.842 2.620 7.729 309 HD3 LYS 67 HD3 LYS 67 7.887 4.020 8.221 310 HE2 LYS 67 HE2 LYS 67 6.704 2.061 8.892 311 HE3 LYS 67 HE3 LYS 67 5.840 2.766 7.528 312 HZ1 LYS 67 HZ1 LYS 67 6.084 0.327 7.394 313 HZ2 LYS 67 HZ2 LYS 67 7.762 0.512 7.302 314 HZ3 LYS 67 HZ3 LYS 67 6.775 1.129 6.075 315 H ASP 68 HN ASP 68 9.600 6.184 2.211 316 HA ASP 68 HA ASP 68 7.603 8.164 3.068 317 HB2 ASP 68 HB2 ASP 68 10.312 8.786 1.873 318 HB3 ASP 68 HB3 ASP 68 9.043 9.967 2.177 319 HA PRO 69 HA PRO 69 6.366 6.747 -1.109 320 HB2 PRO 69 HB2 PRO 69 3.852 7.841 -0.899 321 HB3 PRO 69 HB3 PRO 69 4.279 6.224 -0.332 322 HG2 PRO 69 HG2 PRO 69 4.034 8.772 1.213 323 HG3 PRO 69 HG3 PRO 69 3.498 7.140 1.651 324 HD2 PRO 69 HD2 PRO 69 5.745 8.205 2.665 325 HD3 PRO 69 HD3 PRO 69 5.625 6.475 2.285 326 H ARG 70 HN ARG 70 6.212 9.945 0.364 327 HA ARG 70 HA ARG 70 5.786 11.305 -2.148 328 HB2 ARG 70 HB2 ARG 70 6.618 12.368 0.565 329 HB3 ARG 70 HB3 ARG 70 6.173 13.360 -0.817 330 HG2 ARG 70 HG2 ARG 70 3.965 13.008 -0.534 331 HG3 ARG 70 HG3 ARG 70 4.188 11.344 0.010 332 HD2 ARG 70 HD2 ARG 70 4.871 12.101 2.195 333 HD3 ARG 70 HD3 ARG 70 4.819 13.783 1.666 334 HE ARG 70 HE ARG 70 2.290 12.705 1.245 335 HH11 ARG 70 HH11 ARG 70 4.399 13.398 3.954 336 HH12 ARG 70 HH12 ARG 70 3.093 13.662 5.059 337 HH21 ARG 70 HH21 ARG 70 0.576 13.055 2.707 338 HH22 ARG 70 HH22 ARG 70 0.924 13.467 4.353 339 H GLN 71 HN GLN 71 8.480 10.553 -0.015 340 HA GLN 71 HA GLN 71 10.393 11.801 -1.838 341 HB2 GLN 71 HB2 GLN 71 10.821 10.472 0.841 342 HB3 GLN 71 HB3 GLN 71 12.053 11.312 -0.089 343 HG2 GLN 71 HG2 GLN 71 10.985 13.407 0.229 344 HG3 GLN 71 HG3 GLN 71 9.549 12.642 0.907 345 HE21 GLN 71 HE21 GLN 71 9.604 11.860 3.018 346 HE22 GLN 71 HE22 GLN 71 10.842 12.315 4.134 347 H TRP 72 HN TRP 72 9.022 9.644 -2.914 348 HA TRP 72 HA TRP 72 11.020 7.473 -2.931 349 HB2 TRP 72 HB2 TRP 72 8.073 7.562 -3.094 350 HB3 TRP 72 HB3 TRP 72 8.826 6.494 -4.269 351 HD1 TRP 72 HD1 TRP 72 10.936 6.445 -1.272 352 HE1 TRP 72 HE1 TRP 72 10.421 4.378 0.171 353 HE3 TRP 72 HE3 TRP 72 6.542 5.022 -3.448 354 HZ2 TRP 72 HZ2 TRP 72 8.409 2.406 0.362 355 HZ3 TRP 72 HZ3 TRP 72 5.382 3.036 -2.577 356 HH2 TRP 72 HH2 TRP 72 6.299 1.758 -0.714 357 H THR 73 HN THR 73 11.061 6.315 -5.166 358 HA THR 73 HA THR 73 10.736 8.216 -7.327 359 HB THR 73 HB THR 73 13.132 8.163 -6.714 360 HG1 THR 73 HG1 THR 73 13.471 8.451 -8.775 361 HG21 THR 73 HG21 THR 73 14.433 6.126 -7.157 362 HG22 THR 73 HG22 THR 73 12.942 5.255 -7.515 363 HG23 THR 73 HG23 THR 73 13.237 5.869 -5.888 364 H GLU 74 HN GLU 74 11.265 6.832 -9.545 365 HA GLU 74 HA GLU 74 9.050 5.233 -9.948 366 HB2 GLU 74 HB2 GLU 74 11.686 5.125 -11.422 367 HB3 GLU 74 HB3 GLU 74 10.177 4.428 -11.995 368 HG2 GLU 74 HG2 GLU 74 9.188 6.717 -11.931 369 HG3 GLU 74 HG3 GLU 74 10.794 7.339 -11.565 370 H THR 75 HN THR 75 12.339 4.180 -9.085 371 HA THR 75 HA THR 75 11.846 1.420 -9.261 372 HB THR 75 HB THR 75 13.831 2.796 -7.436 373 HG1 THR 75 HG1 THR 75 14.066 1.925 -10.144 374 HG21 THR 75 HG21 THR 75 13.544 0.454 -6.866 375 HG22 THR 75 HG22 THR 75 15.099 0.682 -7.667 376 HG23 THR 75 HG23 THR 75 13.742 -0.008 -8.556 377 H HIS 76 HN HIS 76 11.769 3.602 -6.437 378 HA HIS 76 HA HIS 76 11.035 1.657 -4.541 379 HB2 HIS 76 HB2 HIS 76 10.455 4.626 -4.515 380 HB3 HIS 76 HB3 HIS 76 10.319 3.553 -3.126 381 HD1 HIS 76 HD1 HIS 76 12.261 6.048 -3.337 382 HD2 HIS 76 HD2 HIS 76 13.328 2.072 -3.880 383 HE1 HIS 76 HE1 HIS 76 14.727 5.946 -2.868 384 HE2 HIS 76 HE2 HIS 76 15.328 3.510 -3.099 385 H VAL 77 HN VAL 77 9.074 3.769 -6.587 386 HA VAL 77 HA VAL 77 6.532 3.155 -5.497 387 HB VAL 77 HB VAL 77 7.340 4.091 -8.265 388 HG11 VAL 77 HG11 VAL 77 4.949 4.724 -8.517 389 HG12 VAL 77 HG12 VAL 77 4.591 3.810 -7.052 390 HG13 VAL 77 HG13 VAL 77 5.211 2.981 -8.479 391 HG21 VAL 77 HG21 VAL 77 7.840 5.671 -6.506 392 HG22 VAL 77 HG22 VAL 77 6.214 5.502 -5.847 393 HG23 VAL 77 HG23 VAL 77 6.452 6.246 -7.429 394 H ARG 78 HN ARG 78 8.220 1.888 -8.395 395 HA ARG 78 HA ARG 78 6.252 -0.058 -9.063 396 HB2 ARG 78 HB2 ARG 78 7.771 0.783 -10.747 397 HB3 ARG 78 HB3 ARG 78 9.169 0.226 -9.840 398 HG2 ARG 78 HG2 ARG 78 7.122 -1.750 -10.737 399 HG3 ARG 78 HG3 ARG 78 8.295 -1.119 -11.894 400 HD2 ARG 78 HD2 ARG 78 8.947 -2.481 -9.282 401 HD3 ARG 78 HD3 ARG 78 9.057 -3.215 -10.878 402 HE ARG 78 HE ARG 78 10.654 -1.055 -11.106 403 HH11 ARG 78 HH11 ARG 78 10.495 -3.631 -8.739 404 HH12 ARG 78 HH12 ARG 78 12.185 -3.563 -8.371 405 HH21 ARG 78 HH21 ARG 78 12.880 -0.974 -10.619 406 HH22 ARG 78 HH22 ARG 78 13.540 -2.056 -9.440 407 H ASP 79 HN ASP 79 9.382 -0.335 -7.336 408 HA ASP 79 HA ASP 79 9.215 -3.120 -6.991 409 HB2 ASP 79 HB2 ASP 79 11.277 -1.700 -6.632 410 HB3 ASP 79 HB3 ASP 79 10.589 -1.194 -5.092 411 H TRP 80 HN TRP 80 7.956 -0.432 -5.075 412 HA TRP 80 HA TRP 80 7.170 -1.968 -2.850 413 HB2 TRP 80 HB2 TRP 80 7.209 0.341 -2.424 414 HB3 TRP 80 HB3 TRP 80 6.304 0.720 -3.886 415 HD1 TRP 80 HD1 TRP 80 5.678 -0.956 -0.441 416 HE1 TRP 80 HE1 TRP 80 3.239 -0.489 0.229 417 HE3 TRP 80 HE3 TRP 80 4.136 1.506 -4.647 418 HZ2 TRP 80 HZ2 TRP 80 0.959 0.752 -0.881 419 HZ3 TRP 80 HZ3 TRP 80 1.812 2.303 -4.761 420 HH2 TRP 80 HH2 TRP 80 0.259 1.932 -2.917 421 H VAL 81 HN VAL 81 4.994 -0.522 -5.306 422 HA VAL 81 HA VAL 81 2.710 -1.866 -4.891 423 HB VAL 81 HB VAL 81 2.897 -0.235 -6.664 424 HG11 VAL 81 HG11 VAL 81 3.899 -0.720 -8.816 425 HG12 VAL 81 HG12 VAL 81 4.396 -2.313 -8.248 426 HG13 VAL 81 HG13 VAL 81 5.097 -0.863 -7.532 427 HG21 VAL 81 HG21 VAL 81 1.472 -1.257 -8.309 428 HG22 VAL 81 HG22 VAL 81 1.053 -1.880 -6.713 429 HG23 VAL 81 HG23 VAL 81 2.003 -2.868 -7.824 430 H MET 82 HN MET 82 5.454 -3.174 -6.771 431 HA MET 82 HA MET 82 4.319 -5.646 -7.460 432 HB2 MET 82 HB2 MET 82 6.434 -4.648 -8.389 433 HB3 MET 82 HB3 MET 82 7.240 -5.109 -6.897 434 HG2 MET 82 HG2 MET 82 6.890 -7.428 -7.343 435 HG3 MET 82 HG3 MET 82 5.861 -7.058 -8.726 436 HE1 MET 82 HE1 MET 82 6.759 -5.965 -10.983 437 HE2 MET 82 HE2 MET 82 8.440 -5.496 -11.236 438 HE3 MET 82 HE3 MET 82 7.452 -4.636 -10.054 439 H TRP 83 HN TRP 83 6.309 -4.702 -4.678 440 HA TRP 83 HA TRP 83 6.430 -7.202 -3.413 441 HB2 TRP 83 HB2 TRP 83 7.934 -5.605 -2.597 442 HB3 TRP 83 HB3 TRP 83 6.700 -4.358 -2.472 443 HD1 TRP 83 HD1 TRP 83 8.256 -7.234 -0.539 444 HE1 TRP 83 HE1 TRP 83 7.379 -7.186 1.880 445 HE3 TRP 83 HE3 TRP 83 4.629 -3.670 -1.063 446 HZ2 TRP 83 HZ2 TRP 83 5.403 -5.820 3.366 447 HZ3 TRP 83 HZ3 TRP 83 3.290 -3.051 0.905 448 HH2 TRP 83 HH2 TRP 83 3.670 -4.105 3.074 449 H ALA 84 HN ALA 84 3.998 -4.639 -3.302 450 HA ALA 84 HA ALA 84 2.455 -5.786 -1.191 451 HB1 ALA 84 HB1 ALA 84 1.625 -3.782 -3.291 452 HB2 ALA 84 HB2 ALA 84 2.353 -3.398 -1.732 453 HB3 ALA 84 HB3 ALA 84 0.758 -4.147 -1.799 454 H VAL 85 HN VAL 85 2.814 -6.531 -4.501 455 HA VAL 85 HA VAL 85 0.193 -7.716 -4.846 456 HB VAL 85 HB VAL 85 2.638 -7.693 -6.620 457 HG11 VAL 85 HG11 VAL 85 1.453 -9.746 -7.043 458 HG12 VAL 85 HG12 VAL 85 1.143 -8.623 -8.366 459 HG13 VAL 85 HG13 VAL 85 -0.084 -8.886 -7.126 460 HG21 VAL 85 HG21 VAL 85 1.259 -5.579 -6.251 461 HG22 VAL 85 HG22 VAL 85 -0.024 -6.404 -7.133 462 HG23 VAL 85 HG23 VAL 85 1.524 -6.088 -7.917 463 H ASN 86 HN ASN 86 3.481 -8.679 -4.088 464 HA ASN 86 HA ASN 86 2.955 -11.507 -4.302 465 HB2 ASN 86 HB2 ASN 86 5.325 -10.071 -3.080 466 HB3 ASN 86 HB3 ASN 86 5.245 -11.783 -3.488 467 HD21 ASN 86 HD21 ASN 86 7.026 -9.603 -4.417 468 HD22 ASN 86 HD22 ASN 86 6.909 -9.627 -6.140 469 H GLU 87 HN GLU 87 3.118 -9.089 -1.739 470 HA GLU 87 HA GLU 87 2.979 -10.980 0.414 471 HB2 GLU 87 HB2 GLU 87 2.472 -7.997 0.370 472 HB3 GLU 87 HB3 GLU 87 2.581 -8.979 1.824 473 HG2 GLU 87 HG2 GLU 87 4.817 -8.758 -0.170 474 HG3 GLU 87 HG3 GLU 87 4.634 -7.666 1.201 475 H PHE 88 HN PHE 88 0.650 -8.931 -1.303 476 HA PHE 88 HA PHE 88 -1.534 -10.071 0.290 477 HB2 PHE 88 HB2 PHE 88 -1.448 -7.710 -1.590 478 HB3 PHE 88 HB3 PHE 88 -2.919 -8.301 -0.831 479 HD1 PHE 88 HD1 PHE 88 0.324 -6.674 -0.232 480 HD2 PHE 88 HD2 PHE 88 -3.398 -7.860 1.459 481 HE1 PHE 88 HE1 PHE 88 0.774 -5.267 1.736 482 HE2 PHE 88 HE2 PHE 88 -2.954 -6.455 3.429 483 HZ PHE 88 HZ PHE 88 -0.868 -5.156 3.567 484 H SER 89 HN SER 89 0.055 -11.093 -2.311 485 HA SER 89 HA SER 89 -0.422 -12.138 -4.289 486 HB2 SER 89 HB2 SER 89 -1.056 -13.794 -2.539 487 HB3 SER 89 HB3 SER 89 -2.715 -13.207 -2.624 488 HG SER 89 HG SER 89 -1.740 -15.103 -4.047 489 H LEU 90 HN LEU 90 -1.111 -9.762 -4.875 490 HA LEU 90 HA LEU 90 -3.923 -9.561 -5.516 491 HB2 LEU 90 HB2 LEU 90 -1.697 -7.608 -6.090 492 HB3 LEU 90 HB3 LEU 90 -3.413 -7.286 -6.231 493 HG LEU 90 HG LEU 90 -1.900 -7.824 -3.675 494 HD11 LEU 90 HD11 LEU 90 -1.521 -5.600 -4.610 495 HD12 LEU 90 HD12 LEU 90 -2.474 -5.521 -3.127 496 HD13 LEU 90 HD13 LEU 90 -3.263 -5.336 -4.693 497 HD21 LEU 90 HD21 LEU 90 -4.176 -8.782 -3.646 498 HD22 LEU 90 HD22 LEU 90 -4.826 -7.191 -4.043 499 HD23 LEU 90 HD23 LEU 90 -3.982 -7.443 -2.515 500 H LYS 91 HN LYS 91 -4.420 -8.601 -7.787 501 HA LYS 91 HA LYS 91 -2.702 -9.530 -9.910 502 HB2 LYS 91 HB2 LYS 91 -4.281 -11.070 -10.917 503 HB3 LYS 91 HB3 LYS 91 -3.888 -11.597 -9.288 504 HG2 LYS 91 HG2 LYS 91 -6.368 -10.029 -9.945 505 HG3 LYS 91 HG3 LYS 91 -6.302 -11.790 -9.971 506 HD2 LYS 91 HD2 LYS 91 -5.522 -11.709 -7.590 507 HD3 LYS 91 HD3 LYS 91 -5.838 -9.974 -7.609 508 HE2 LYS 91 HE2 LYS 91 -7.729 -11.079 -6.635 509 HE3 LYS 91 HE3 LYS 91 -8.195 -10.465 -8.220 510 HZ1 LYS 91 HZ1 LYS 91 -7.956 -12.665 -9.138 511 HZ2 LYS 91 HZ2 LYS 91 -8.996 -12.730 -7.806 512 HZ3 LYS 91 HZ3 LYS 91 -7.401 -13.273 -7.659 513 H GLY 92 HN GLY 92 -3.217 -8.706 -11.939 514 HA2 GLY 92 HA2 GLY 92 -4.472 -7.480 -13.501 515 HA3 GLY 92 HA1 GLY 92 -5.600 -7.051 -12.229 516 H VAL 93 HN VAL 93 -2.792 -6.371 -10.776 517 HA VAL 93 HA VAL 93 -3.053 -3.561 -11.252 518 HB VAL 93 HB VAL 93 -2.449 -4.479 -9.026 519 HG11 VAL 93 HG11 VAL 93 -0.116 -5.146 -8.614 520 HG12 VAL 93 HG12 VAL 93 0.186 -5.107 -10.349 521 HG13 VAL 93 HG13 VAL 93 -0.964 -6.264 -9.679 522 HG21 VAL 93 HG21 VAL 93 -2.005 -2.145 -9.543 523 HG22 VAL 93 HG22 VAL 93 -0.433 -2.576 -10.217 524 HG23 VAL 93 HG23 VAL 93 -0.745 -2.797 -8.496 525 H ASP 94 HN ASP 94 -1.809 -2.217 -12.435 526 HA ASP 94 HA ASP 94 0.177 -3.482 -14.186 527 HB2 ASP 94 HB2 ASP 94 -1.330 -0.881 -14.513 528 HB3 ASP 94 HB3 ASP 94 -0.198 -1.559 -15.675 529 H PHE 95 HN PHE 95 2.256 -2.893 -14.167 530 HA PHE 95 HA PHE 95 3.136 -0.972 -12.159 531 HB2 PHE 95 HB2 PHE 95 4.769 -2.742 -14.006 532 HB3 PHE 95 HB3 PHE 95 5.399 -1.790 -12.665 533 HD1 PHE 95 HD2 PHE 95 4.084 -2.280 -10.361 534 HD2 PHE 95 HD1 PHE 95 4.490 -4.981 -13.624 535 HE1 PHE 95 HE2 PHE 95 3.704 -4.173 -8.837 536 HE2 PHE 95 HE1 PHE 95 4.109 -6.878 -12.105 537 HZ PHE 95 HZ PHE 95 3.717 -6.475 -9.707 538 H GLN 96 HN GLN 96 2.706 -1.165 -15.597 539 HA GLN 96 HA GLN 96 4.439 0.923 -16.401 540 HB2 GLN 96 HB2 GLN 96 1.894 -0.184 -17.593 541 HB3 GLN 96 HB3 GLN 96 2.801 1.115 -18.353 542 HG2 GLN 96 HG2 GLN 96 3.417 -0.920 -19.405 543 HG3 GLN 96 HG3 GLN 96 4.779 -0.392 -18.421 544 HE21 GLN 96 HE21 GLN 96 2.202 -2.721 -18.748 545 HE22 GLN 96 HE22 GLN 96 2.825 -3.864 -17.612 546 H LYS 97 HN LYS 97 1.150 0.838 -15.161 547 HA LYS 97 HA LYS 97 0.459 3.558 -15.557 548 HB2 LYS 97 HB2 LYS 97 -0.548 1.293 -13.904 549 HB3 LYS 97 HB3 LYS 97 -1.036 2.918 -13.448 550 HG2 LYS 97 HG2 LYS 97 -2.689 1.898 -14.892 551 HG3 LYS 97 HG3 LYS 97 -1.940 3.281 -15.689 552 HD2 LYS 97 HD2 LYS 97 -0.476 1.750 -16.937 553 HD3 LYS 97 HD3 LYS 97 -1.256 0.377 -16.151 554 HE2 LYS 97 HE2 LYS 97 -2.211 0.663 -18.336 555 HE3 LYS 97 HE3 LYS 97 -3.415 1.106 -17.126 556 HZ1 LYS 97 HZ1 LYS 97 -3.327 2.671 -18.991 557 HZ2 LYS 97 HZ2 LYS 97 -1.719 3.038 -18.617 558 HZ3 LYS 97 HZ3 LYS 97 -2.951 3.423 -17.523 559 H PHE 98 HN PHE 98 2.154 1.846 -12.958 560 HA PHE 98 HA PHE 98 2.388 4.338 -11.434 561 HB2 PHE 98 HB2 PHE 98 3.122 1.501 -10.677 562 HB3 PHE 98 HB3 PHE 98 3.280 2.902 -9.623 563 HD1 PHE 98 HD1 PHE 98 0.912 4.355 -9.712 564 HD2 PHE 98 HD2 PHE 98 1.378 0.144 -10.109 565 HE1 PHE 98 HE1 PHE 98 -1.399 4.030 -8.935 566 HE2 PHE 98 HE2 PHE 98 -0.931 -0.189 -9.338 567 HZ PHE 98 HZ PHE 98 -2.324 1.757 -8.748 568 H CYS 99 HN CYS 99 3.859 3.975 -13.930 569 HA CYS 99 HA CYS 99 6.615 3.537 -13.128 570 HB2 CYS 99 HB2 CYS 99 5.763 2.737 -15.332 571 HB3 CYS 99 HB3 CYS 99 5.517 4.413 -15.811 572 HG CYS 99 HG CYS 99 7.918 2.985 -16.836 573 H MET 100 HN MET 100 6.282 5.371 -11.539 574 HA MET 100 HA MET 100 7.550 7.734 -12.588 575 HB2 MET 100 HB2 MET 100 5.860 9.332 -12.026 576 HB3 MET 100 HB3 MET 100 5.088 8.109 -13.024 577 HG2 MET 100 HG2 MET 100 4.339 7.029 -10.848 578 HG3 MET 100 HG3 MET 100 4.842 8.523 -10.064 579 HE1 MET 100 HE1 MET 100 2.098 6.676 -11.983 580 HE2 MET 100 HE2 MET 100 2.897 7.462 -13.345 581 HE3 MET 100 HE3 MET 100 1.264 7.943 -12.881 582 H SER 101 HN SER 101 7.814 9.400 -10.744 583 HA SER 101 HA SER 101 9.001 8.015 -8.526 584 HB2 SER 101 HB2 SER 101 9.616 10.265 -7.733 585 HB3 SER 101 HB3 SER 101 9.987 10.085 -9.447 586 HG SER 101 HG SER 101 8.094 11.685 -8.189 587 H GLY 102 HN GLY 102 8.555 8.498 -6.276 588 HA2 GLY 102 HA2 GLY 102 5.935 7.936 -5.522 589 HA3 GLY 102 HA1 GLY 102 7.186 8.535 -4.445 590 H ALA 103 HN ALA 103 7.637 11.059 -5.568 591 HA ALA 103 HA ALA 103 5.731 12.651 -4.328 592 HB1 ALA 103 HB1 ALA 103 7.536 13.389 -6.634 593 HB2 ALA 103 HB2 ALA 103 7.957 13.450 -4.923 594 HB3 ALA 103 HB3 ALA 103 6.713 14.523 -5.563 595 H ALA 104 HN ALA 104 5.899 11.538 -7.684 596 HA ALA 104 HA ALA 104 3.701 13.094 -8.634 597 HB1 ALA 104 HB1 ALA 104 4.854 10.543 -9.769 598 HB2 ALA 104 HB2 ALA 104 5.435 12.170 -10.120 599 HB3 ALA 104 HB3 ALA 104 3.811 11.688 -10.610 600 H LEU 105 HN LEU 105 4.066 9.701 -7.618 601 HA LEU 105 HA LEU 105 1.467 8.808 -8.056 602 HB2 LEU 105 HB2 LEU 105 3.509 7.453 -7.430 603 HB3 LEU 105 HB3 LEU 105 3.238 7.952 -5.771 604 HG LEU 105 HG LEU 105 0.999 6.874 -5.859 605 HD11 LEU 105 HD11 LEU 105 1.979 5.882 -8.531 606 HD12 LEU 105 HD12 LEU 105 0.606 6.952 -8.244 607 HD13 LEU 105 HD13 LEU 105 0.555 5.282 -7.682 608 HD21 LEU 105 HD21 LEU 105 2.907 5.712 -4.892 609 HD22 LEU 105 HD22 LEU 105 3.352 5.094 -6.483 610 HD23 LEU 105 HD23 LEU 105 1.846 4.577 -5.727 611 H CYS 106 HN CYS 106 2.838 10.279 -5.104 612 HA CYS 106 HA CYS 106 0.461 10.136 -3.586 613 HB2 CYS 106 HB2 CYS 106 2.819 12.020 -3.355 614 HB3 CYS 106 HB3 CYS 106 1.537 11.884 -2.157 615 HG CYS 106 HG CYS 106 2.627 9.989 -0.828 616 H ALA 107 HN ALA 107 1.758 12.586 -5.764 617 HA ALA 107 HA ALA 107 -0.145 14.613 -5.252 618 HB1 ALA 107 HB1 ALA 107 1.406 14.107 -7.790 619 HB2 ALA 107 HB2 ALA 107 1.991 15.016 -6.396 620 HB3 ALA 107 HB3 ALA 107 0.618 15.616 -7.325 621 H LEU 108 HN LEU 108 -0.187 11.798 -7.353 622 HA LEU 108 HA LEU 108 -2.316 12.461 -9.028 623 HB2 LEU 108 HB2 LEU 108 -1.279 9.826 -8.032 624 HB3 LEU 108 HB3 LEU 108 -2.632 9.921 -9.137 625 HG LEU 108 HG LEU 108 0.132 10.995 -9.697 626 HD11 LEU 108 HD11 LEU 108 0.156 8.579 -9.606 627 HD12 LEU 108 HD12 LEU 108 0.279 9.115 -11.281 628 HD13 LEU 108 HD13 LEU 108 -1.252 8.499 -10.663 629 HD21 LEU 108 HD21 LEU 108 -0.711 11.201 -12.007 630 HD22 LEU 108 HD22 LEU 108 -1.569 12.248 -10.875 631 HD23 LEU 108 HD23 LEU 108 -2.319 10.754 -11.438 632 H GLY 109 HN GLY 109 -2.328 11.183 -5.740 633 HA2 GLY 109 HA2 GLY 109 -4.055 11.189 -4.202 634 HA3 GLY 109 HA1 GLY 109 -5.107 11.864 -5.437 635 H LYS 110 HN LYS 110 -6.249 10.072 -3.860 636 HA LYS 110 HA LYS 110 -5.990 7.363 -4.513 637 HB2 LYS 110 HB2 LYS 110 -7.217 8.116 -2.544 638 HB3 LYS 110 HB3 LYS 110 -8.436 8.866 -3.565 639 HG2 LYS 110 HG2 LYS 110 -9.212 6.756 -4.332 640 HG3 LYS 110 HG3 LYS 110 -7.843 5.918 -3.599 641 HD2 LYS 110 HD2 LYS 110 -9.756 5.575 -2.203 642 HD3 LYS 110 HD3 LYS 110 -8.662 6.682 -1.372 643 HE2 LYS 110 HE2 LYS 110 -10.020 8.578 -2.127 644 HE3 LYS 110 HE3 LYS 110 -11.118 7.463 -2.940 645 HZ1 LYS 110 HZ1 LYS 110 -10.590 7.539 -0.016 646 HZ2 LYS 110 HZ2 LYS 110 -11.654 6.482 -0.800 647 HZ3 LYS 110 HZ3 LYS 110 -11.972 8.144 -0.783 648 H GLU 111 HN GLU 111 -8.152 9.842 -5.885 649 HA GLU 111 HA GLU 111 -9.676 8.320 -7.616 650 HB2 GLU 111 HB2 GLU 111 -9.690 10.871 -7.139 651 HB3 GLU 111 HB3 GLU 111 -8.532 10.977 -8.456 652 HG2 GLU 111 HG2 GLU 111 -11.336 9.899 -8.611 653 HG3 GLU 111 HG3 GLU 111 -10.757 11.432 -9.257 654 H CYS 112 HN CYS 112 -6.722 10.080 -8.645 655 HA CYS 112 HA CYS 112 -6.512 8.824 -11.129 656 HB2 CYS 112 HB2 CYS 112 -4.390 10.106 -9.408 657 HB3 CYS 112 HB3 CYS 112 -4.120 9.589 -11.069 658 HG CYS 112 HG CYS 112 -4.533 12.448 -10.708 659 H PHE 113 HN PHE 113 -5.167 7.899 -7.977 660 HA PHE 113 HA PHE 113 -3.464 5.854 -8.860 661 HB2 PHE 113 HB2 PHE 113 -3.558 6.875 -6.545 662 HB3 PHE 113 HB3 PHE 113 -4.981 5.884 -6.244 663 HD1 PHE 113 HD2 PHE 113 -4.785 3.447 -6.102 664 HD2 PHE 113 HD1 PHE 113 -1.371 5.939 -6.578 665 HE1 PHE 113 HE2 PHE 113 -3.336 1.584 -5.410 666 HE2 PHE 113 HE1 PHE 113 0.085 4.081 -5.883 667 HZ PHE 113 HZ PHE 113 -0.895 1.901 -5.299 668 H LEU 114 HN LEU 114 -6.894 5.794 -7.915 669 HA LEU 114 HA LEU 114 -7.233 3.004 -8.221 670 HB2 LEU 114 HB2 LEU 114 -8.992 5.343 -7.852 671 HB3 LEU 114 HB3 LEU 114 -9.732 3.973 -8.658 672 HG LEU 114 HG LEU 114 -9.227 2.536 -6.758 673 HD11 LEU 114 HD11 LEU 114 -8.284 3.466 -4.695 674 HD12 LEU 114 HD12 LEU 114 -7.997 4.996 -5.522 675 HD13 LEU 114 HD13 LEU 114 -7.140 3.543 -6.034 676 HD21 LEU 114 HD21 LEU 114 -10.539 5.123 -5.934 677 HD22 LEU 114 HD22 LEU 114 -10.700 3.574 -5.106 678 HD23 LEU 114 HD23 LEU 114 -11.326 3.768 -6.743 679 H GLU 115 HN GLU 115 -7.218 5.648 -10.488 680 HA GLU 115 HA GLU 115 -8.437 4.198 -12.638 681 HB2 GLU 115 HB2 GLU 115 -6.656 6.644 -12.726 682 HB3 GLU 115 HB3 GLU 115 -7.624 6.035 -14.059 683 HG2 GLU 115 HG2 GLU 115 -8.610 7.210 -11.475 684 HG3 GLU 115 HG3 GLU 115 -8.749 7.898 -13.090 685 H LEU 116 HN LEU 116 -5.280 4.353 -11.249 686 HA LEU 116 HA LEU 116 -3.915 3.267 -13.566 687 HB2 LEU 116 HB2 LEU 116 -2.975 3.851 -10.757 688 HB3 LEU 116 HB3 LEU 116 -1.940 3.270 -12.044 689 HG LEU 116 HG LEU 116 -3.421 5.901 -12.079 690 HD11 LEU 116 HD11 LEU 116 -0.517 5.290 -11.547 691 HD12 LEU 116 HD12 LEU 116 -1.690 5.911 -10.384 692 HD13 LEU 116 HD13 LEU 116 -1.202 6.902 -11.759 693 HD21 LEU 116 HD21 LEU 116 -3.022 4.958 -14.306 694 HD22 LEU 116 HD22 LEU 116 -1.306 4.806 -13.929 695 HD23 LEU 116 HD23 LEU 116 -2.050 6.402 -14.022 696 H ALA 117 HN ALA 117 -5.000 2.181 -10.374 697 HA ALA 117 HA ALA 117 -4.175 -0.563 -11.072 698 HB1 ALA 117 HB1 ALA 117 -4.508 0.761 -8.393 699 HB2 ALA 117 HB2 ALA 117 -3.042 0.086 -9.104 700 HB3 ALA 117 HB3 ALA 117 -4.345 -0.982 -8.591 701 HA PRO 118 HA PRO 118 -8.226 -2.256 -11.432 702 HB2 PRO 118 HB2 PRO 118 -7.420 -4.044 -9.186 703 HB3 PRO 118 HB3 PRO 118 -8.148 -4.450 -10.742 704 HG2 PRO 118 HG2 PRO 118 -5.526 -4.795 -10.245 705 HG3 PRO 118 HG3 PRO 118 -6.145 -4.378 -11.851 706 HD2 PRO 118 HD2 PRO 118 -4.614 -2.736 -9.951 707 HD3 PRO 118 HD3 PRO 118 -4.830 -2.534 -11.696 708 H ASP 119 HN ASP 119 -10.190 -2.693 -10.283 709 HA ASP 119 HA ASP 119 -10.963 -0.707 -8.474 710 HB2 ASP 119 HB2 ASP 119 -12.525 -1.760 -9.996 711 HB3 ASP 119 HB3 ASP 119 -12.301 -3.306 -9.186 712 H PHE 120 HN PHE 120 -9.452 -3.737 -7.832 713 HA PHE 120 HA PHE 120 -10.354 -3.524 -5.062 714 HB2 PHE 120 HB2 PHE 120 -9.320 -6.000 -6.453 715 HB3 PHE 120 HB3 PHE 120 -9.804 -5.930 -4.761 716 HD1 PHE 120 HD1 PHE 120 -12.158 -5.664 -4.154 717 HD2 PHE 120 HD2 PHE 120 -10.941 -6.049 -8.214 718 HE1 PHE 120 HE1 PHE 120 -14.480 -6.158 -4.799 719 HE2 PHE 120 HE2 PHE 120 -13.261 -6.544 -8.866 720 HZ PHE 120 HZ PHE 120 -15.033 -6.598 -7.158 721 H VAL 121 HN VAL 121 -7.442 -4.513 -6.875 722 HA VAL 121 HA VAL 121 -5.684 -4.485 -4.691 723 HB VAL 121 HB VAL 121 -3.868 -4.476 -6.248 724 HG11 VAL 121 HG11 VAL 121 -6.183 -5.952 -7.495 725 HG12 VAL 121 HG12 VAL 121 -5.222 -6.525 -6.131 726 HG13 VAL 121 HG13 VAL 121 -4.471 -6.310 -7.712 727 HG21 VAL 121 HG21 VAL 121 -4.387 -2.665 -7.679 728 HG22 VAL 121 HG22 VAL 121 -5.872 -3.439 -8.231 729 HG23 VAL 121 HG23 VAL 121 -4.306 -4.105 -8.693 730 H GLY 122 HN GLY 122 -6.786 -1.855 -6.765 731 HA2 GLY 122 HA2 GLY 122 -4.889 0.094 -6.190 732 HA3 GLY 122 HA1 GLY 122 -6.571 0.421 -6.572 733 H ASP 123 HN ASP 123 -7.577 -1.015 -4.208 734 HA ASP 123 HA ASP 123 -7.558 1.151 -2.374 735 HB2 ASP 123 HB2 ASP 123 -8.535 -1.685 -1.989 736 HB3 ASP 123 HB3 ASP 123 -8.890 -0.329 -0.921 737 H ILE 124 HN ILE 124 -6.219 -2.148 -2.147 738 HA ILE 124 HA ILE 124 -5.039 -1.937 0.360 739 HB ILE 124 HB ILE 124 -4.090 -3.537 -2.013 740 HG12 ILE 124 HG12 ILE 124 -5.855 -4.262 0.336 741 HG13 ILE 124 HG13 ILE 124 -6.364 -4.097 -1.341 742 HG21 ILE 124 HG21 ILE 124 -2.933 -4.943 -0.339 743 HG22 ILE 124 HG22 ILE 124 -3.348 -3.761 0.901 744 HG23 ILE 124 HG23 ILE 124 -2.286 -3.306 -0.431 745 HD11 ILE 124 HD11 ILE 124 -5.002 -5.999 -1.961 746 HD12 ILE 124 HD12 ILE 124 -6.131 -6.430 -0.677 747 HD13 ILE 124 HD13 ILE 124 -4.430 -6.150 -0.299 748 H LEU 125 HN LEU 125 -3.640 -1.234 -2.820 749 HA LEU 125 HA LEU 125 -1.050 -0.606 -1.897 750 HB2 LEU 125 HB2 LEU 125 -2.479 0.386 -4.382 751 HB3 LEU 125 HB3 LEU 125 -0.753 0.485 -4.096 752 HG LEU 125 HG LEU 125 -2.291 -2.104 -4.286 753 HD11 LEU 125 HD11 LEU 125 -2.365 -0.950 -6.414 754 HD12 LEU 125 HD12 LEU 125 -1.270 -2.331 -6.503 755 HD13 LEU 125 HD13 LEU 125 -0.621 -0.697 -6.361 756 HD21 LEU 125 HD21 LEU 125 0.664 -1.504 -4.250 757 HD22 LEU 125 HD22 LEU 125 -0.053 -3.090 -4.535 758 HD23 LEU 125 HD23 LEU 125 -0.264 -2.295 -2.975 759 H TRP 126 HN TRP 126 -3.629 1.718 -2.943 760 HA TRP 126 HA TRP 126 -2.169 3.962 -1.998 761 HB2 TRP 126 HB2 TRP 126 -3.789 4.766 -3.414 762 HB3 TRP 126 HB3 TRP 126 -4.925 3.478 -3.025 763 HD1 TRP 126 HD1 TRP 126 -4.146 7.072 -2.246 764 HE1 TRP 126 HE1 TRP 126 -5.855 7.991 -0.557 765 HE3 TRP 126 HE3 TRP 126 -6.415 2.691 -0.935 766 HZ2 TRP 126 HZ2 TRP 126 -7.898 6.983 1.116 767 HZ3 TRP 126 HZ3 TRP 126 -8.235 2.749 0.717 768 HH2 TRP 126 HH2 TRP 126 -8.959 4.849 1.721 769 H GLU 127 HN GLU 127 -4.287 1.729 -0.292 770 HA GLU 127 HA GLU 127 -4.748 3.432 1.951 771 HB2 GLU 127 HB2 GLU 127 -6.064 1.350 1.431 772 HB3 GLU 127 HB3 GLU 127 -4.677 0.394 1.934 773 HG2 GLU 127 HG2 GLU 127 -6.407 0.608 3.676 774 HG3 GLU 127 HG3 GLU 127 -4.836 1.236 4.175 775 H HIS 128 HN HIS 128 -2.434 0.726 1.464 776 HA HIS 128 HA HIS 128 -1.000 1.220 3.862 777 HB2 HIS 128 HB2 HIS 128 -0.939 -0.948 2.663 778 HB3 HIS 128 HB3 HIS 128 -0.061 -0.181 1.346 779 HD1 HIS 128 HD1 HIS 128 2.085 -1.500 1.579 780 HD2 HIS 128 HD2 HIS 128 0.929 0.353 5.114 781 HE1 HIS 128 HE1 HIS 128 4.042 -1.746 3.138 782 HE2 HIS 128 HE2 HIS 128 3.295 -0.675 5.293 783 H LEU 129 HN LEU 129 -0.749 2.435 0.587 784 HA LEU 129 HA LEU 129 1.799 3.654 0.743 785 HB2 LEU 129 HB2 LEU 129 0.431 3.240 -1.335 786 HB3 LEU 129 HB3 LEU 129 -0.582 4.588 -0.870 787 HG LEU 129 HG LEU 129 1.409 6.074 -1.004 788 HD11 LEU 129 HD11 LEU 129 2.738 3.623 -2.151 789 HD12 LEU 129 HD12 LEU 129 3.145 4.414 -0.628 790 HD13 LEU 129 HD13 LEU 129 3.407 5.255 -2.156 791 HD21 LEU 129 HD21 LEU 129 0.764 4.527 -3.512 792 HD22 LEU 129 HD22 LEU 129 1.485 6.136 -3.442 793 HD23 LEU 129 HD23 LEU 129 -0.161 5.883 -2.864 794 H GLU 130 HN GLU 130 -1.472 4.796 1.505 795 HA GLU 130 HA GLU 130 -0.697 7.430 2.144 796 HB2 GLU 130 HB2 GLU 130 -3.021 6.666 1.526 797 HB3 GLU 130 HB3 GLU 130 -3.146 5.993 3.144 798 HG2 GLU 130 HG2 GLU 130 -2.855 8.216 4.100 799 HG3 GLU 130 HG3 GLU 130 -2.708 8.894 2.479 800 H ILE 131 HN ILE 131 -0.650 4.445 3.848 801 HA ILE 131 HA ILE 131 -0.506 5.535 6.492 802 HB ILE 131 HB ILE 131 0.038 2.800 5.348 803 HG12 ILE 131 HG12 ILE 131 -2.067 3.701 7.319 804 HG13 ILE 131 HG13 ILE 131 -2.321 3.680 5.577 805 HG21 ILE 131 HG21 ILE 131 0.273 1.975 7.645 806 HG22 ILE 131 HG22 ILE 131 0.244 3.637 8.234 807 HG23 ILE 131 HG23 ILE 131 1.565 3.090 7.201 808 HD11 ILE 131 HD11 ILE 131 -1.700 1.300 7.309 809 HD12 ILE 131 HD12 ILE 131 -1.918 1.267 5.559 810 HD13 ILE 131 HD13 ILE 131 -3.265 1.710 6.607 811 H LEU 132 HN LEU 132 1.818 4.469 4.053 812 HA LEU 132 HA LEU 132 4.152 4.476 5.590 813 HB2 LEU 132 HB2 LEU 132 3.736 5.083 2.669 814 HB3 LEU 132 HB3 LEU 132 5.315 4.891 3.406 815 HG LEU 132 HG LEU 132 3.184 2.753 3.307 816 HD11 LEU 132 HD11 LEU 132 4.624 1.673 1.658 817 HD12 LEU 132 HD12 LEU 132 5.713 3.060 1.697 818 HD13 LEU 132 HD13 LEU 132 4.067 3.248 1.090 819 HD21 LEU 132 HD21 LEU 132 4.633 2.519 5.241 820 HD22 LEU 132 HD22 LEU 132 6.059 2.668 4.214 821 HD23 LEU 132 HD23 LEU 132 4.996 1.270 4.051 822 H GLN 133 HN GLN 133 2.709 7.115 3.673 823 HA GLN 133 HA GLN 133 4.633 9.069 4.097 824 HB2 GLN 133 HB2 GLN 133 2.704 10.706 3.815 825 HB3 GLN 133 HB3 GLN 133 3.020 9.588 2.500 826 HG2 GLN 133 HG2 GLN 133 1.197 8.140 3.414 827 HG3 GLN 133 HG3 GLN 133 0.822 9.439 4.543 828 HE21 GLN 133 HE21 GLN 133 0.845 8.463 1.187 829 HE22 GLN 133 HE22 GLN 133 -0.226 9.696 0.623 830 H LYS 134 HN LYS 134 1.954 8.095 6.181 831 HA LYS 134 HA LYS 134 2.363 10.201 8.082 832 HB2 LYS 134 HB2 LYS 134 0.804 7.627 8.313 833 HB3 LYS 134 HB3 LYS 134 0.755 8.946 9.474 834 HG2 LYS 134 HG2 LYS 134 -0.035 10.416 7.574 835 HG3 LYS 134 HG3 LYS 134 -0.246 8.932 6.643 836 HD2 LYS 134 HD2 LYS 134 -1.543 9.501 9.310 837 HD3 LYS 134 HD3 LYS 134 -2.331 9.698 7.745 838 HE2 LYS 134 HE2 LYS 134 -1.153 7.089 8.679 839 HE3 LYS 134 HE3 LYS 134 -2.827 7.548 8.976 840 HZ1 LYS 134 HZ1 LYS 134 -2.570 6.157 6.996 841 HZ2 LYS 134 HZ2 LYS 134 -1.578 7.330 6.291 842 HZ3 LYS 134 HZ3 LYS 134 -3.201 7.679 6.612 843 H GLU 135 HN GLU 135 2.890 6.677 8.198 844 HA GLU 135 HA GLU 135 4.627 7.007 10.524 845 HB2 GLU 135 HB2 GLU 135 3.419 4.584 9.189 846 HB3 GLU 135 HB3 GLU 135 4.625 4.458 10.461 847 HG2 GLU 135 HG2 GLU 135 2.428 4.170 11.389 848 HG3 GLU 135 HG3 GLU 135 3.128 5.675 11.981 849 H ASP 136 HN ASP 136 6.587 7.721 9.858 850 HA ASP 136 HA ASP 136 7.968 6.129 7.798 851 HB2 ASP 136 HB2 ASP 136 7.695 8.319 6.906 852 HB3 ASP 136 HB3 ASP 136 8.172 9.074 8.424 853 H VAL 137 HN VAL 137 9.705 5.061 8.410 854 HA VAL 137 HA VAL 137 10.903 5.666 11.021 855 HB VAL 137 HB VAL 137 10.020 3.359 10.657 856 HG11 VAL 137 HG11 VAL 137 11.236 1.812 9.228 857 HG12 VAL 137 HG12 VAL 137 12.292 3.116 8.686 858 HG13 VAL 137 HG13 VAL 137 10.577 3.145 8.279 859 HG21 VAL 137 HG21 VAL 137 11.975 2.204 11.574 860 HG22 VAL 137 HG22 VAL 137 11.746 3.784 12.322 861 HG23 VAL 137 HG23 VAL 137 12.998 3.559 11.101 862 H LYS 138 HN LYS 138 11.620 5.292 7.607 863 HA LYS 138 HA LYS 138 14.293 6.416 8.086 864 HB2 LYS 138 HB2 LYS 138 14.518 4.013 7.622 865 HB3 LYS 138 HB3 LYS 138 13.607 4.207 6.132 866 HG2 LYS 138 HG2 LYS 138 15.381 5.667 5.258 867 HG3 LYS 138 HG3 LYS 138 16.300 5.414 6.744 868 HD2 LYS 138 HD2 LYS 138 17.140 3.938 5.029 869 HD3 LYS 138 HD3 LYS 138 16.322 2.983 6.266 870 HE2 LYS 138 HE2 LYS 138 14.311 2.907 4.841 871 HE3 LYS 138 HE3 LYS 138 15.176 3.810 3.599 872 HZ1 LYS 138 HZ1 LYS 138 16.747 1.998 3.407 873 HZ2 LYS 138 HZ2 LYS 138 15.174 1.427 3.161 874 HZ3 LYS 138 HZ3 LYS 138 15.958 1.135 4.631 Start of MODEL 8 1 H HIS 28 H1 HIS 28 -0.819 35.233 22.539 2 HA HIS 28 HA HIS 28 0.140 35.724 20.378 3 HB2 HIS 28 HB2 HIS 28 2.515 35.673 21.076 4 HB3 HIS 28 HB3 HIS 28 1.454 36.237 22.360 5 HD1 HIS 28 HD1 HIS 28 3.532 33.256 21.362 6 HD2 HIS 28 HD2 HIS 28 1.482 34.717 24.667 7 HE1 HIS 28 HE1 HIS 28 4.197 31.769 23.277 8 HE2 HIS 28 HE2 HIS 28 2.888 32.627 25.250 9 H MET 29 HN MET 29 1.003 35.062 18.486 10 HA MET 29 HA MET 29 1.650 33.713 16.790 11 HB2 MET 29 HB2 MET 29 2.829 32.177 19.097 12 HB3 MET 29 HB3 MET 29 2.992 31.624 17.439 13 HG2 MET 29 HG2 MET 29 4.965 32.815 18.046 14 HG3 MET 29 HG3 MET 29 4.070 33.775 16.871 15 HE1 MET 29 HE1 MET 29 5.696 35.795 17.585 16 HE2 MET 29 HE2 MET 29 6.455 34.828 18.850 17 HE3 MET 29 HE3 MET 29 5.806 36.422 19.230 18 H GLU 30 HN GLU 30 1.027 31.086 19.111 19 HA GLU 30 HA GLU 30 -1.115 30.149 17.322 20 HB2 GLU 30 HB2 GLU 30 0.860 28.656 17.504 21 HB3 GLU 30 HB3 GLU 30 0.576 28.525 19.234 22 HG2 GLU 30 HG2 GLU 30 -0.260 26.580 18.037 23 HG3 GLU 30 HG3 GLU 30 -1.568 27.461 18.824 24 H CYS 31 HN CYS 31 -0.155 30.190 20.767 25 HA CYS 31 HA CYS 31 -2.923 30.737 21.497 26 HB2 CYS 31 HB2 CYS 31 -2.922 28.938 23.216 27 HB3 CYS 31 HB3 CYS 31 -2.871 28.322 21.567 28 HG CYS 31 HG CYS 31 0.194 28.684 22.736 29 H ALA 32 HN ALA 32 -3.008 30.878 24.059 30 HA ALA 32 HA ALA 32 -1.530 33.096 24.829 31 HB1 ALA 32 HB1 ALA 32 -3.622 32.410 25.903 32 HB2 ALA 32 HB2 ALA 32 -2.343 32.690 27.085 33 HB3 ALA 32 HB3 ALA 32 -2.789 31.043 26.644 34 H ASP 33 HN ASP 33 -0.898 29.664 25.534 35 HA ASP 33 HA ASP 33 1.850 30.417 26.265 36 HB2 ASP 33 HB2 ASP 33 0.568 29.914 28.319 37 HB3 ASP 33 HB3 ASP 33 0.174 28.324 27.672 38 H VAL 34 HN VAL 34 3.112 29.614 24.722 39 HA VAL 34 HA VAL 34 2.361 27.216 23.277 40 HB VAL 34 HB VAL 34 4.367 27.633 21.905 41 HG11 VAL 34 HG11 VAL 34 3.602 29.720 20.874 42 HG12 VAL 34 HG12 VAL 34 2.610 30.053 22.294 43 HG13 VAL 34 HG13 VAL 34 2.253 28.656 21.278 44 HG21 VAL 34 HG21 VAL 34 4.782 29.974 23.762 45 HG22 VAL 34 HG22 VAL 34 5.612 29.759 22.223 46 HG23 VAL 34 HG23 VAL 34 5.860 28.600 23.526 47 HA PRO 35 HA PRO 35 4.839 24.661 25.979 48 HB2 PRO 35 HB2 PRO 35 4.290 22.294 24.833 49 HB3 PRO 35 HB3 PRO 35 3.085 23.171 25.784 50 HG2 PRO 35 HG2 PRO 35 3.387 22.989 22.814 51 HG3 PRO 35 HG3 PRO 35 1.912 22.934 23.795 52 HD2 PRO 35 HD2 PRO 35 2.802 25.170 22.470 53 HD3 PRO 35 HD3 PRO 35 1.764 25.213 23.908 54 H LEU 36 HN LEU 36 6.930 24.096 25.952 55 HA LEU 36 HA LEU 36 8.398 24.221 23.461 56 HB2 LEU 36 HB2 LEU 36 9.235 23.921 26.337 57 HB3 LEU 36 HB3 LEU 36 10.381 23.807 25.016 58 HG LEU 36 HG LEU 36 9.660 26.128 24.324 59 HD11 LEU 36 HD11 LEU 36 7.539 26.280 25.437 60 HD12 LEU 36 HD12 LEU 36 8.618 27.504 26.106 61 HD13 LEU 36 HD13 LEU 36 8.296 26.023 27.009 62 HD21 LEU 36 HD21 LEU 36 11.027 27.227 26.024 63 HD22 LEU 36 HD22 LEU 36 11.748 25.702 25.509 64 HD23 LEU 36 HD23 LEU 36 10.901 25.800 27.052 65 H LEU 37 HN LEU 37 7.916 21.829 26.051 66 HA LEU 37 HA LEU 37 9.177 19.750 24.472 67 HB2 LEU 37 HB2 LEU 37 7.996 19.871 27.228 68 HB3 LEU 37 HB3 LEU 37 8.343 18.323 26.482 69 HG LEU 37 HG LEU 37 10.400 20.490 26.925 70 HD11 LEU 37 HD11 LEU 37 9.546 19.609 29.048 71 HD12 LEU 37 HD12 LEU 37 11.214 19.118 28.759 72 HD13 LEU 37 HD13 LEU 37 9.901 17.969 28.505 73 HD21 LEU 37 HD21 LEU 37 10.907 18.979 25.067 74 HD22 LEU 37 HD22 LEU 37 10.684 17.591 26.132 75 HD23 LEU 37 HD23 LEU 37 12.006 18.722 26.423 76 H TPO 38 HN TPO 38 7.845 19.529 22.684 77 HA TPO 38 HA TPO 38 5.443 17.963 23.152 78 HB TPO 38 HB TPO 38 4.515 20.192 23.042 79 HG21 TPO 38 HG21 TPO 38 5.441 20.654 20.263 80 HG22 TPO 38 HG22 TPO 38 6.554 21.019 21.581 81 HG23 TPO 38 HG23 TPO 38 4.980 21.810 21.512 82 HA PRO 39 HA PRO 39 7.747 16.093 19.734 83 HB2 PRO 39 HB2 PRO 39 6.788 13.597 20.094 84 HB3 PRO 39 HB3 PRO 39 8.057 14.275 21.120 85 HG2 PRO 39 HG2 PRO 39 5.124 14.014 21.656 86 HG3 PRO 39 HG3 PRO 39 6.493 13.712 22.741 87 HD2 PRO 39 HD2 PRO 39 5.015 16.010 22.781 88 HD3 PRO 39 HD3 PRO 39 6.715 15.930 23.278 89 H SER 40 HN SER 40 7.140 15.200 17.698 90 HA SER 40 HA SER 40 4.584 16.104 16.766 91 HB2 SER 40 HB2 SER 40 5.365 15.154 14.562 92 HB3 SER 40 HB3 SER 40 6.441 16.358 15.271 93 HG SER 40 HG SER 40 6.755 13.536 15.326 94 H SEP 41 HN SEP 41 3.113 14.856 17.952 95 HA SEP 41 HA SEP 41 2.987 12.119 18.223 96 HB2 SEP 41 HB2 SEP 41 0.623 13.968 17.828 97 HB3 SEP 41 HB3 SEP 41 0.593 12.384 18.611 98 H LYS 42 HN LYS 42 2.272 14.010 15.379 99 HA LYS 42 HA LYS 42 0.733 12.145 13.956 100 HB2 LYS 42 HB2 LYS 42 1.439 13.376 11.936 101 HB3 LYS 42 HB3 LYS 42 0.903 14.447 13.222 102 HG2 LYS 42 HG2 LYS 42 3.288 14.837 13.809 103 HG3 LYS 42 HG3 LYS 42 3.742 13.886 12.393 104 HD2 LYS 42 HD2 LYS 42 2.588 15.455 10.941 105 HD3 LYS 42 HD3 LYS 42 2.048 16.382 12.340 106 HE2 LYS 42 HE2 LYS 42 3.932 17.503 11.373 107 HE3 LYS 42 HE3 LYS 42 4.432 16.799 12.911 108 HZ1 LYS 42 HZ1 LYS 42 6.055 16.470 11.105 109 HZ2 LYS 42 HZ2 LYS 42 4.916 15.548 10.262 110 HZ3 LYS 42 HZ3 LYS 42 5.499 15.011 11.755 111 H GLU 43 HN GLU 43 4.245 12.501 14.244 112 HA GLU 43 HA GLU 43 4.854 10.506 12.291 113 HB2 GLU 43 HB2 GLU 43 6.589 11.634 14.495 114 HB3 GLU 43 HB3 GLU 43 7.158 10.671 13.139 115 HG2 GLU 43 HG2 GLU 43 5.871 13.388 12.967 116 HG3 GLU 43 HG3 GLU 43 7.588 13.034 12.786 117 H MET 44 HN MET 44 4.605 10.485 15.836 118 HA MET 44 HA MET 44 5.473 7.775 16.102 119 HB2 MET 44 HB2 MET 44 4.209 9.768 17.949 120 HB3 MET 44 HB3 MET 44 4.306 8.079 18.425 121 HG2 MET 44 HG2 MET 44 6.194 9.081 19.357 122 HG3 MET 44 HG3 MET 44 6.789 8.234 17.932 123 HE1 MET 44 HE1 MET 44 6.270 12.795 18.318 124 HE2 MET 44 HE2 MET 44 5.977 11.624 19.603 125 HE3 MET 44 HE3 MET 44 4.878 11.715 18.227 126 H MET 45 HN MET 45 2.303 9.360 15.971 127 HA MET 45 HA MET 45 0.725 7.115 16.542 128 HB2 MET 45 HB2 MET 45 -0.067 9.491 16.482 129 HB3 MET 45 HB3 MET 45 -0.002 9.421 14.727 130 HG2 MET 45 HG2 MET 45 -1.681 7.690 14.696 131 HG3 MET 45 HG3 MET 45 -1.698 7.640 16.457 132 HE1 MET 45 HE1 MET 45 -4.303 7.951 14.666 133 HE2 MET 45 HE2 MET 45 -5.182 9.213 15.531 134 HE3 MET 45 HE3 MET 45 -4.366 7.932 16.429 135 H SER 46 HN SER 46 2.057 8.322 13.488 136 HA SER 46 HA SER 46 0.720 6.408 11.860 137 HB2 SER 46 HB2 SER 46 2.209 7.181 10.071 138 HB3 SER 46 HB3 SER 46 1.589 8.556 10.980 139 HG SER 46 HG SER 46 3.566 9.066 11.408 140 H GLN 47 HN GLN 47 3.792 6.500 13.557 141 HA GLN 47 HA GLN 47 5.239 4.449 12.450 142 HB2 GLN 47 HB2 GLN 47 5.900 5.910 14.390 143 HB3 GLN 47 HB3 GLN 47 4.941 4.861 15.424 144 HG2 GLN 47 HG2 GLN 47 6.350 2.978 14.898 145 HG3 GLN 47 HG3 GLN 47 7.259 3.945 13.738 146 HE21 GLN 47 HE21 GLN 47 8.711 5.502 14.489 147 HE22 GLN 47 HE22 GLN 47 9.271 5.517 16.124 148 H ALA 48 HN ALA 48 2.604 4.171 14.823 149 HA ALA 48 HA ALA 48 2.701 1.397 15.203 150 HB1 ALA 48 HB1 ALA 48 0.269 3.174 15.324 151 HB2 ALA 48 HB2 ALA 48 1.425 2.944 16.637 152 HB3 ALA 48 HB3 ALA 48 0.448 1.588 16.075 153 H LEU 49 HN LEU 49 0.924 3.336 12.822 154 HA LEU 49 HA LEU 49 -0.539 1.278 11.628 155 HB2 LEU 49 HB2 LEU 49 0.599 3.765 10.346 156 HB3 LEU 49 HB3 LEU 49 -0.653 2.755 9.651 157 HG LEU 49 HG LEU 49 -0.931 4.280 12.242 158 HD11 LEU 49 HD11 LEU 49 -0.727 5.796 10.343 159 HD12 LEU 49 HD12 LEU 49 -2.370 5.796 10.983 160 HD13 LEU 49 HD13 LEU 49 -2.003 4.919 9.498 161 HD21 LEU 49 HD21 LEU 49 -2.953 2.796 10.564 162 HD22 LEU 49 HD22 LEU 49 -3.311 3.751 12.002 163 HD23 LEU 49 HD23 LEU 49 -2.333 2.290 12.135 164 H LYS 50 HN LYS 50 2.757 2.417 11.028 165 HA LYS 50 HA LYS 50 3.268 0.783 8.788 166 HB2 LYS 50 HB2 LYS 50 4.579 2.798 9.358 167 HB3 LYS 50 HB3 LYS 50 5.219 1.963 10.765 168 HG2 LYS 50 HG2 LYS 50 6.861 1.881 9.056 169 HG3 LYS 50 HG3 LYS 50 6.180 0.263 9.224 170 HD2 LYS 50 HD2 LYS 50 4.681 0.759 7.306 171 HD3 LYS 50 HD3 LYS 50 5.518 2.299 7.103 172 HE2 LYS 50 HE2 LYS 50 6.488 0.787 5.555 173 HE3 LYS 50 HE3 LYS 50 7.651 0.989 6.864 174 HZ1 LYS 50 HZ1 LYS 50 6.909 -1.105 7.806 175 HZ2 LYS 50 HZ2 LYS 50 7.425 -1.329 6.212 176 HZ3 LYS 50 HZ3 LYS 50 5.772 -1.294 6.568 177 H ALA 51 HN ALA 51 3.684 0.310 12.259 178 HA ALA 51 HA ALA 51 5.295 -1.907 12.367 179 HB1 ALA 51 HB1 ALA 51 4.433 -0.677 14.322 180 HB2 ALA 51 HB2 ALA 51 4.276 -2.425 14.491 181 HB3 ALA 51 HB3 ALA 51 2.864 -1.448 14.092 182 H THR 52 HN THR 52 1.831 -1.807 11.614 183 HA THR 52 HA THR 52 1.276 -4.544 11.731 184 HB THR 52 HB THR 52 -0.650 -4.119 10.322 185 HG1 THR 52 HG1 THR 52 -0.616 -2.587 8.869 186 HG21 THR 52 HG21 THR 52 -0.136 -1.770 12.149 187 HG22 THR 52 HG22 THR 52 -0.759 -3.343 12.648 188 HG23 THR 52 HG23 THR 52 -1.713 -2.315 11.578 189 H PHE 53 HN PHE 53 2.934 -2.683 9.272 190 HA PHE 53 HA PHE 53 2.909 -4.971 7.442 191 HB2 PHE 53 HB2 PHE 53 3.833 -2.119 7.018 192 HB3 PHE 53 HB3 PHE 53 3.881 -3.384 5.797 193 HD1 PHE 53 HD1 PHE 53 1.847 -4.186 4.752 194 HD2 PHE 53 HD2 PHE 53 1.749 -1.088 7.670 195 HE1 PHE 53 HE1 PHE 53 -0.446 -3.619 4.067 196 HE2 PHE 53 HE2 PHE 53 -0.545 -0.517 6.990 197 HZ PHE 53 HZ PHE 53 -1.646 -1.782 5.186 198 H SER 54 HN SER 54 4.313 -5.916 9.296 199 HA SER 54 HA SER 54 7.011 -5.071 9.557 200 HB2 SER 54 HB2 SER 54 7.359 -7.281 10.645 201 HB3 SER 54 HB3 SER 54 5.963 -6.420 11.290 202 HG SER 54 HG SER 54 6.084 -8.768 9.826 203 H GLY 55 HN GLY 55 5.377 -7.096 7.229 204 HA2 GLY 55 HA2 GLY 55 7.741 -8.388 6.241 205 HA3 GLY 55 HA1 GLY 55 6.163 -8.371 5.471 206 H PHE 56 HN PHE 56 6.675 -5.232 5.981 207 HA PHE 56 HA PHE 56 7.750 -4.843 3.284 208 HB2 PHE 56 HB2 PHE 56 5.585 -3.763 3.844 209 HB3 PHE 56 HB3 PHE 56 6.405 -2.815 5.079 210 HD1 PHE 56 HD1 PHE 56 7.434 -3.683 1.604 211 HD2 PHE 56 HD2 PHE 56 6.370 -0.616 4.356 212 HE1 PHE 56 HE1 PHE 56 8.009 -1.982 -0.075 213 HE2 PHE 56 HE2 PHE 56 6.941 1.091 2.680 214 HZ PHE 56 HZ PHE 56 7.763 0.409 0.462 215 H THR 57 HN THR 57 8.232 -3.675 6.616 216 HA THR 57 HA THR 57 10.389 -1.979 6.131 217 HB THR 57 HB THR 57 9.956 -3.665 8.607 218 HG1 THR 57 HG1 THR 57 8.345 -2.357 8.985 219 HG21 THR 57 HG21 THR 57 12.191 -2.683 8.513 220 HG22 THR 57 HG22 THR 57 11.215 -1.898 9.755 221 HG23 THR 57 HG23 THR 57 11.491 -1.093 8.210 222 H LYS 58 HN LYS 58 10.351 -5.478 6.641 223 HA LYS 58 HA LYS 58 13.136 -5.851 6.795 224 HB2 LYS 58 HB2 LYS 58 12.693 -8.188 6.208 225 HB3 LYS 58 HB3 LYS 58 11.551 -7.615 7.416 226 HG2 LYS 58 HG2 LYS 58 9.871 -7.302 5.649 227 HG3 LYS 58 HG3 LYS 58 11.021 -7.930 4.467 228 HD2 LYS 58 HD2 LYS 58 11.140 -10.016 5.916 229 HD3 LYS 58 HD3 LYS 58 9.728 -9.380 6.763 230 HE2 LYS 58 HE2 LYS 58 8.461 -9.360 4.695 231 HE3 LYS 58 HE3 LYS 58 9.877 -9.900 3.795 232 HZ1 LYS 58 HZ1 LYS 58 9.844 -11.960 5.082 233 HZ2 LYS 58 HZ2 LYS 58 8.396 -11.737 4.238 234 HZ3 LYS 58 HZ3 LYS 58 8.457 -11.440 5.902 235 H GLU 59 HN GLU 59 10.936 -5.568 4.064 236 HA GLU 59 HA GLU 59 12.876 -6.284 2.074 237 HB2 GLU 59 HB2 GLU 59 10.407 -6.515 1.768 238 HB3 GLU 59 HB3 GLU 59 10.272 -4.762 1.761 239 HG2 GLU 59 HG2 GLU 59 10.224 -5.591 -0.493 240 HG3 GLU 59 HG3 GLU 59 11.706 -4.675 -0.229 241 H GLN 60 HN GLN 60 11.568 -3.252 3.393 242 HA GLN 60 HA GLN 60 12.807 -1.441 1.676 243 HB2 GLN 60 HB2 GLN 60 12.138 -1.138 4.608 244 HB3 GLN 60 HB3 GLN 60 12.561 0.190 3.537 245 HG2 GLN 60 HG2 GLN 60 10.597 -0.221 2.193 246 HG3 GLN 60 HG3 GLN 60 10.196 -1.629 3.169 247 HE21 GLN 60 HE21 GLN 60 10.281 1.844 3.042 248 HE22 GLN 60 HE22 GLN 60 9.305 2.119 4.442 249 H GLN 61 HN GLN 61 14.135 -3.307 4.297 250 HA GLN 61 HA GLN 61 16.562 -1.733 4.476 251 HB2 GLN 61 HB2 GLN 61 15.829 -4.402 5.695 252 HB3 GLN 61 HB3 GLN 61 17.298 -3.504 6.050 253 HG2 GLN 61 HG2 GLN 61 16.059 -1.738 7.066 254 HG3 GLN 61 HG3 GLN 61 14.530 -2.429 6.526 255 HE21 GLN 61 HE21 GLN 61 17.160 -2.688 8.788 256 HE22 GLN 61 HE22 GLN 61 16.390 -3.798 9.865 257 H ARG 62 HN ARG 62 15.482 -4.648 2.855 258 HA ARG 62 HA ARG 62 18.069 -5.594 2.112 259 HB2 ARG 62 HB2 ARG 62 15.360 -6.138 0.882 260 HB3 ARG 62 HB3 ARG 62 16.831 -7.027 0.516 261 HG2 ARG 62 HG2 ARG 62 16.901 -8.006 2.643 262 HG3 ARG 62 HG3 ARG 62 15.737 -6.856 3.302 263 HD2 ARG 62 HD2 ARG 62 14.016 -7.803 1.796 264 HD3 ARG 62 HD3 ARG 62 15.187 -9.006 1.260 265 HE ARG 62 HE ARG 62 15.183 -9.362 3.924 266 HH11 ARG 62 HH11 ARG 62 12.565 -9.142 1.605 267 HH12 ARG 62 HH12 ARG 62 11.523 -10.197 2.500 268 HH21 ARG 62 HH21 ARG 62 13.802 -10.747 5.096 269 HH22 ARG 62 HH22 ARG 62 12.225 -11.108 4.479 270 H LEU 63 HN LEU 63 15.603 -3.631 0.491 271 HA LEU 63 HA LEU 63 17.316 -3.241 -1.852 272 HB2 LEU 63 HB2 LEU 63 14.532 -2.211 -1.339 273 HB3 LEU 63 HB3 LEU 63 15.377 -2.263 -2.874 274 HG LEU 63 HG LEU 63 14.552 -4.710 -1.310 275 HD11 LEU 63 HD11 LEU 63 12.819 -4.965 -3.051 276 HD12 LEU 63 HD12 LEU 63 13.235 -3.364 -3.660 277 HD13 LEU 63 HD13 LEU 63 12.575 -3.544 -2.035 278 HD21 LEU 63 HD21 LEU 63 15.046 -5.896 -3.385 279 HD22 LEU 63 HD22 LEU 63 16.473 -5.063 -2.769 280 HD23 LEU 63 HD23 LEU 63 15.574 -4.386 -4.128 281 H GLY 64 HN GLY 64 16.230 -1.522 0.997 282 HA2 GLY 64 HA2 GLY 64 17.318 0.412 1.816 283 HA3 GLY 64 HA1 GLY 64 17.883 0.759 0.189 284 H ILE 65 HN ILE 65 14.701 -0.062 -0.092 285 HA ILE 65 HA ILE 65 13.748 2.356 -0.958 286 HB ILE 65 HB ILE 65 12.097 0.221 0.404 287 HG12 ILE 65 HG12 ILE 65 12.659 0.555 -2.549 288 HG13 ILE 65 HG13 ILE 65 13.551 -0.554 -1.515 289 HG21 ILE 65 HG21 ILE 65 11.315 2.395 -1.534 290 HG22 ILE 65 HG22 ILE 65 10.862 2.287 0.167 291 HG23 ILE 65 HG23 ILE 65 10.256 1.096 -0.983 292 HD11 ILE 65 HD11 ILE 65 10.607 -0.646 -2.120 293 HD12 ILE 65 HD12 ILE 65 11.450 -1.725 -1.008 294 HD13 ILE 65 HD13 ILE 65 11.850 -1.742 -2.726 295 HA PRO 66 HA PRO 66 13.556 4.892 2.720 296 HB2 PRO 66 HB2 PRO 66 11.666 6.483 1.085 297 HB3 PRO 66 HB3 PRO 66 13.166 6.978 1.874 298 HG2 PRO 66 HG2 PRO 66 13.032 6.680 -0.774 299 HG3 PRO 66 HG3 PRO 66 14.488 6.227 0.132 300 HD2 PRO 66 HD2 PRO 66 12.334 4.485 -0.996 301 HD3 PRO 66 HD3 PRO 66 14.087 4.215 -0.937 302 H LYS 67 HN LYS 67 11.851 5.914 4.093 303 HA LYS 67 HA LYS 67 9.516 4.144 4.252 304 HB2 LYS 67 HB2 LYS 67 11.204 4.496 6.178 305 HB3 LYS 67 HB3 LYS 67 10.419 6.051 6.397 306 HG2 LYS 67 HG2 LYS 67 8.299 4.952 6.822 307 HG3 LYS 67 HG3 LYS 67 9.040 3.376 6.528 308 HD2 LYS 67 HD2 LYS 67 10.613 3.854 8.413 309 HD3 LYS 67 HD3 LYS 67 9.673 5.308 8.756 310 HE2 LYS 67 HE2 LYS 67 7.684 3.927 9.117 311 HE3 LYS 67 HE3 LYS 67 8.626 2.479 8.776 312 HZ1 LYS 67 HZ1 LYS 67 9.102 4.361 11.024 313 HZ2 LYS 67 HZ2 LYS 67 10.008 2.971 10.698 314 HZ3 LYS 67 HZ3 LYS 67 8.383 2.835 11.149 315 H ASP 68 HN ASP 68 9.462 6.193 2.308 316 HA ASP 68 HA ASP 68 7.027 7.512 3.026 317 HB2 ASP 68 HB2 ASP 68 8.635 9.020 4.119 318 HB3 ASP 68 HB3 ASP 68 9.463 9.249 2.582 319 HA PRO 69 HA PRO 69 6.672 6.763 -1.378 320 HB2 PRO 69 HB2 PRO 69 4.224 8.403 -1.032 321 HB3 PRO 69 HB3 PRO 69 4.408 6.771 -1.682 322 HG2 PRO 69 HG2 PRO 69 3.340 7.172 0.724 323 HG3 PRO 69 HG3 PRO 69 4.409 5.795 0.419 324 HD2 PRO 69 HD2 PRO 69 5.004 8.388 1.789 325 HD3 PRO 69 HD3 PRO 69 5.517 6.744 2.219 326 H ARG 70 HN ARG 70 5.867 10.020 -0.062 327 HA ARG 70 HA ARG 70 6.159 11.462 -2.411 328 HB2 ARG 70 HB2 ARG 70 6.902 12.327 0.391 329 HB3 ARG 70 HB3 ARG 70 6.688 13.410 -0.975 330 HG2 ARG 70 HG2 ARG 70 4.481 13.442 -0.730 331 HG3 ARG 70 HG3 ARG 70 4.390 11.687 -0.572 332 HD2 ARG 70 HD2 ARG 70 4.970 11.830 1.770 333 HD3 ARG 70 HD3 ARG 70 5.205 13.574 1.636 334 HE ARG 70 HE ARG 70 2.605 13.024 0.815 335 HH11 ARG 70 HH11 ARG 70 4.499 12.765 3.747 336 HH12 ARG 70 HH12 ARG 70 3.138 12.997 4.790 337 HH21 ARG 70 HH21 ARG 70 0.818 13.328 2.195 338 HH22 ARG 70 HH22 ARG 70 1.050 13.317 3.912 339 H GLN 71 HN GLN 71 8.644 10.242 -0.240 340 HA GLN 71 HA GLN 71 10.740 11.452 -1.882 341 HB2 GLN 71 HB2 GLN 71 10.905 9.980 0.750 342 HB3 GLN 71 HB3 GLN 71 12.271 10.702 -0.090 343 HG2 GLN 71 HG2 GLN 71 11.390 12.900 0.223 344 HG3 GLN 71 HG3 GLN 71 9.877 12.257 0.859 345 HE21 GLN 71 HE21 GLN 71 9.828 11.403 2.947 346 HE22 GLN 71 HE22 GLN 71 11.076 11.727 4.096 347 H TRP 72 HN TRP 72 9.285 9.463 -3.162 348 HA TRP 72 HA TRP 72 11.241 7.245 -3.300 349 HB2 TRP 72 HB2 TRP 72 8.246 7.279 -3.464 350 HB3 TRP 72 HB3 TRP 72 9.116 6.103 -4.426 351 HD1 TRP 72 HD1 TRP 72 10.985 6.559 -1.290 352 HE1 TRP 72 HE1 TRP 72 10.434 4.665 0.363 353 HE3 TRP 72 HE3 TRP 72 6.870 4.626 -3.614 354 HZ2 TRP 72 HZ2 TRP 72 8.507 2.621 0.645 355 HZ3 TRP 72 HZ3 TRP 72 5.730 2.702 -2.591 356 HH2 TRP 72 HH2 TRP 72 6.535 1.724 -0.510 357 H THR 73 HN THR 73 10.989 6.111 -5.567 358 HA THR 73 HA THR 73 10.490 8.037 -7.667 359 HB THR 73 HB THR 73 12.527 7.465 -8.876 360 HG1 THR 73 HG1 THR 73 13.488 5.657 -8.362 361 HG21 THR 73 HG21 THR 73 12.627 9.315 -7.240 362 HG22 THR 73 HG22 THR 73 14.177 8.496 -7.430 363 HG23 THR 73 HG23 THR 73 13.176 8.172 -6.014 364 H GLU 74 HN GLU 74 10.978 6.648 -9.919 365 HA GLU 74 HA GLU 74 8.806 4.959 -10.194 366 HB2 GLU 74 HB2 GLU 74 11.377 4.905 -11.787 367 HB3 GLU 74 HB3 GLU 74 9.856 4.178 -12.284 368 HG2 GLU 74 HG2 GLU 74 8.820 6.413 -12.266 369 HG3 GLU 74 HG3 GLU 74 10.385 7.110 -11.859 370 H THR 75 HN THR 75 12.127 4.154 -9.302 371 HA THR 75 HA THR 75 11.838 1.349 -9.437 372 HB THR 75 HB THR 75 13.771 2.956 -7.746 373 HG1 THR 75 HG1 THR 75 14.018 1.889 -10.383 374 HG21 THR 75 HG21 THR 75 13.821 0.074 -8.648 375 HG22 THR 75 HG22 THR 75 13.696 0.665 -6.990 376 HG23 THR 75 HG23 THR 75 15.183 0.914 -7.905 377 H HIS 76 HN HIS 76 11.867 3.524 -6.584 378 HA HIS 76 HA HIS 76 11.242 1.560 -4.683 379 HB2 HIS 76 HB2 HIS 76 10.599 4.513 -4.584 380 HB3 HIS 76 HB3 HIS 76 10.573 3.418 -3.206 381 HD1 HIS 76 HD1 HIS 76 12.561 5.985 -4.217 382 HD2 HIS 76 HD2 HIS 76 13.441 2.001 -3.433 383 HE1 HIS 76 HE1 HIS 76 15.023 5.927 -3.724 384 HE2 HIS 76 HE2 HIS 76 15.538 3.503 -3.262 385 H VAL 77 HN VAL 77 9.130 3.694 -6.557 386 HA VAL 77 HA VAL 77 6.668 3.078 -5.369 387 HB VAL 77 HB VAL 77 7.370 3.908 -8.192 388 HG11 VAL 77 HG11 VAL 77 4.977 4.402 -8.503 389 HG12 VAL 77 HG12 VAL 77 4.625 3.629 -6.958 390 HG13 VAL 77 HG13 VAL 77 5.268 2.676 -8.296 391 HG21 VAL 77 HG21 VAL 77 6.159 5.368 -5.844 392 HG22 VAL 77 HG22 VAL 77 6.450 6.058 -7.442 393 HG23 VAL 77 HG23 VAL 77 7.809 5.543 -6.443 394 H ARG 78 HN ARG 78 8.338 1.566 -8.145 395 HA ARG 78 HA ARG 78 6.298 -0.410 -8.591 396 HB2 ARG 78 HB2 ARG 78 7.618 0.282 -10.470 397 HB3 ARG 78 HB3 ARG 78 9.122 -0.065 -9.631 398 HG2 ARG 78 HG2 ARG 78 7.208 -2.295 -10.095 399 HG3 ARG 78 HG3 ARG 78 8.156 -1.692 -11.454 400 HD2 ARG 78 HD2 ARG 78 9.257 -2.694 -8.829 401 HD3 ARG 78 HD3 ARG 78 9.269 -3.572 -10.356 402 HE ARG 78 HE ARG 78 10.550 -1.137 -10.781 403 HH11 ARG 78 HH11 ARG 78 11.045 -4.049 -8.900 404 HH12 ARG 78 HH12 ARG 78 12.770 -3.909 -8.912 405 HH21 ARG 78 HH21 ARG 78 12.820 -0.953 -10.788 406 HH22 ARG 78 HH22 ARG 78 13.781 -2.149 -9.982 407 H ASP 79 HN ASP 79 9.492 -0.421 -7.001 408 HA ASP 79 HA ASP 79 9.602 -3.162 -6.489 409 HB2 ASP 79 HB2 ASP 79 10.876 -0.744 -5.297 410 HB3 ASP 79 HB3 ASP 79 10.916 -2.213 -4.331 411 H TRP 80 HN TRP 80 7.978 -0.557 -4.745 412 HA TRP 80 HA TRP 80 7.234 -2.182 -2.529 413 HB2 TRP 80 HB2 TRP 80 7.190 0.102 -2.001 414 HB3 TRP 80 HB3 TRP 80 6.380 0.533 -3.503 415 HD1 TRP 80 HD1 TRP 80 5.536 -1.275 -0.169 416 HE1 TRP 80 HE1 TRP 80 3.059 -0.832 0.360 417 HE3 TRP 80 HE3 TRP 80 4.268 1.339 -4.372 418 HZ2 TRP 80 HZ2 TRP 80 0.856 0.456 -0.849 419 HZ3 TRP 80 HZ3 TRP 80 1.957 2.141 -4.609 420 HH2 TRP 80 HH2 TRP 80 0.288 1.708 -2.882 421 H VAL 81 HN VAL 81 5.192 -0.734 -5.094 422 HA VAL 81 HA VAL 81 2.893 -2.097 -4.873 423 HB VAL 81 HB VAL 81 4.367 -1.516 -7.450 424 HG11 VAL 81 HG11 VAL 81 1.489 -2.343 -7.071 425 HG12 VAL 81 HG12 VAL 81 2.748 -3.271 -7.886 426 HG13 VAL 81 HG13 VAL 81 2.189 -1.748 -8.576 427 HG21 VAL 81 HG21 VAL 81 2.903 0.406 -7.588 428 HG22 VAL 81 HG22 VAL 81 3.777 0.426 -6.059 429 HG23 VAL 81 HG23 VAL 81 2.088 -0.075 -6.100 430 H MET 82 HN MET 82 5.721 -3.359 -6.658 431 HA MET 82 HA MET 82 4.725 -5.843 -7.378 432 HB2 MET 82 HB2 MET 82 6.885 -4.904 -8.148 433 HB3 MET 82 HB3 MET 82 7.563 -5.190 -6.551 434 HG2 MET 82 HG2 MET 82 8.290 -6.939 -7.985 435 HG3 MET 82 HG3 MET 82 7.112 -7.615 -6.862 436 HE1 MET 82 HE1 MET 82 7.851 -6.563 -10.570 437 HE2 MET 82 HE2 MET 82 6.596 -5.424 -10.083 438 HE3 MET 82 HE3 MET 82 6.245 -6.659 -11.293 439 H TRP 83 HN TRP 83 6.508 -4.952 -4.431 440 HA TRP 83 HA TRP 83 6.537 -7.441 -3.184 441 HB2 TRP 83 HB2 TRP 83 7.914 -5.719 -2.299 442 HB3 TRP 83 HB3 TRP 83 6.550 -4.630 -2.087 443 HD1 TRP 83 HD1 TRP 83 8.406 -7.468 -0.387 444 HE1 TRP 83 HE1 TRP 83 7.495 -7.756 2.002 445 HE3 TRP 83 HE3 TRP 83 4.378 -4.332 -0.668 446 HZ2 TRP 83 HZ2 TRP 83 5.351 -6.780 3.562 447 HZ3 TRP 83 HZ3 TRP 83 2.949 -4.064 1.315 448 HH2 TRP 83 HH2 TRP 83 3.427 -5.263 3.387 449 H ALA 84 HN ALA 84 4.022 -4.946 -3.212 450 HA ALA 84 HA ALA 84 2.378 -6.284 -1.269 451 HB1 ALA 84 HB1 ALA 84 0.692 -4.594 -1.837 452 HB2 ALA 84 HB2 ALA 84 1.692 -4.048 -3.185 453 HB3 ALA 84 HB3 ALA 84 2.268 -3.864 -1.528 454 H VAL 85 HN VAL 85 2.896 -6.637 -4.643 455 HA VAL 85 HA VAL 85 0.303 -7.806 -5.202 456 HB VAL 85 HB VAL 85 2.774 -7.490 -6.907 457 HG11 VAL 85 HG11 VAL 85 0.085 -8.651 -7.629 458 HG12 VAL 85 HG12 VAL 85 1.642 -9.481 -7.648 459 HG13 VAL 85 HG13 VAL 85 1.321 -8.183 -8.797 460 HG21 VAL 85 HG21 VAL 85 1.443 -5.449 -6.314 461 HG22 VAL 85 HG22 VAL 85 0.079 -6.170 -7.165 462 HG23 VAL 85 HG23 VAL 85 1.559 -5.781 -8.041 463 H ASN 86 HN ASN 86 3.564 -8.854 -4.446 464 HA ASN 86 HA ASN 86 3.015 -11.626 -5.108 465 HB2 ASN 86 HB2 ASN 86 5.435 -10.281 -3.886 466 HB3 ASN 86 HB3 ASN 86 5.337 -12.003 -4.241 467 HD21 ASN 86 HD21 ASN 86 7.017 -11.951 -5.710 468 HD22 ASN 86 HD22 ASN 86 6.874 -11.209 -7.264 469 H GLU 87 HN GLU 87 3.431 -9.624 -2.220 470 HA GLU 87 HA GLU 87 3.220 -11.815 -0.385 471 HB2 GLU 87 HB2 GLU 87 3.305 -8.835 -0.143 472 HB3 GLU 87 HB3 GLU 87 2.760 -9.785 1.231 473 HG2 GLU 87 HG2 GLU 87 5.203 -9.169 1.187 474 HG3 GLU 87 HG3 GLU 87 4.828 -10.870 1.444 475 H PHE 88 HN PHE 88 0.945 -9.501 -1.780 476 HA PHE 88 HA PHE 88 -1.216 -10.669 -0.175 477 HB2 PHE 88 HB2 PHE 88 -1.185 -8.200 -1.912 478 HB3 PHE 88 HB3 PHE 88 -2.591 -8.788 -1.037 479 HD1 PHE 88 HD2 PHE 88 0.889 -7.581 -0.548 480 HD2 PHE 88 HD1 PHE 88 -2.962 -8.159 1.167 481 HE1 PHE 88 HE2 PHE 88 1.584 -6.297 1.430 482 HE2 PHE 88 HE1 PHE 88 -2.275 -6.874 3.150 483 HZ PHE 88 HZ PHE 88 -0.000 -5.940 3.282 484 H SER 89 HN SER 89 0.255 -11.445 -2.949 485 HA SER 89 HA SER 89 -0.297 -12.394 -4.940 486 HB2 SER 89 HB2 SER 89 -2.506 -13.526 -3.205 487 HB3 SER 89 HB3 SER 89 -1.989 -14.186 -4.756 488 HG SER 89 HG SER 89 -0.696 -14.222 -2.279 489 H LEU 90 HN LEU 90 -1.015 -9.917 -5.272 490 HA LEU 90 HA LEU 90 -3.824 -9.702 -5.884 491 HB2 LEU 90 HB2 LEU 90 -1.601 -7.718 -6.360 492 HB3 LEU 90 HB3 LEU 90 -3.314 -7.386 -6.503 493 HG LEU 90 HG LEU 90 -1.835 -8.058 -3.958 494 HD11 LEU 90 HD11 LEU 90 -1.460 -5.782 -4.848 495 HD12 LEU 90 HD12 LEU 90 -2.314 -5.793 -3.305 496 HD13 LEU 90 HD13 LEU 90 -3.203 -5.510 -4.801 497 HD21 LEU 90 HD21 LEU 90 -4.755 -7.425 -4.375 498 HD22 LEU 90 HD22 LEU 90 -3.952 -7.650 -2.821 499 HD23 LEU 90 HD23 LEU 90 -4.090 -9.001 -3.945 500 H LYS 91 HN LYS 91 -4.433 -8.740 -8.092 501 HA LYS 91 HA LYS 91 -2.696 -9.549 -10.271 502 HB2 LYS 91 HB2 LYS 91 -4.328 -11.009 -11.334 503 HB3 LYS 91 HB3 LYS 91 -3.897 -11.621 -9.746 504 HG2 LYS 91 HG2 LYS 91 -6.355 -9.956 -10.173 505 HG3 LYS 91 HG3 LYS 91 -6.351 -11.700 -10.437 506 HD2 LYS 91 HD2 LYS 91 -5.511 -11.976 -8.102 507 HD3 LYS 91 HD3 LYS 91 -5.733 -10.240 -7.871 508 HE2 LYS 91 HE2 LYS 91 -8.120 -10.497 -8.408 509 HE3 LYS 91 HE3 LYS 91 -7.883 -12.236 -8.575 510 HZ1 LYS 91 HZ1 LYS 91 -7.467 -10.653 -6.096 511 HZ2 LYS 91 HZ2 LYS 91 -7.198 -12.315 -6.248 512 HZ3 LYS 91 HZ3 LYS 91 -8.763 -11.695 -6.405 513 H GLY 92 HN GLY 92 -3.359 -8.793 -12.344 514 HA2 GLY 92 HA2 GLY 92 -4.531 -7.444 -13.833 515 HA3 GLY 92 HA1 GLY 92 -5.666 -7.056 -12.554 516 H VAL 93 HN VAL 93 -2.844 -6.435 -11.085 517 HA VAL 93 HA VAL 93 -3.106 -3.611 -11.451 518 HB VAL 93 HB VAL 93 -2.522 -4.595 -9.260 519 HG11 VAL 93 HG11 VAL 93 -0.316 -5.428 -8.807 520 HG12 VAL 93 HG12 VAL 93 0.184 -5.131 -10.470 521 HG13 VAL 93 HG13 VAL 93 -1.025 -6.367 -10.119 522 HG21 VAL 93 HG21 VAL 93 -2.023 -2.246 -9.749 523 HG22 VAL 93 HG22 VAL 93 -0.428 -2.712 -10.341 524 HG23 VAL 93 HG23 VAL 93 -0.843 -2.948 -8.642 525 H ASP 94 HN ASP 94 -2.003 -2.284 -12.729 526 HA ASP 94 HA ASP 94 0.087 -3.451 -14.420 527 HB2 ASP 94 HB2 ASP 94 -1.628 -0.987 -14.767 528 HB3 ASP 94 HB3 ASP 94 -0.343 -1.455 -15.872 529 H PHE 95 HN PHE 95 2.137 -2.804 -14.318 530 HA PHE 95 HA PHE 95 2.877 -0.818 -12.323 531 HB2 PHE 95 HB2 PHE 95 4.538 -2.676 -14.051 532 HB3 PHE 95 HB3 PHE 95 5.224 -1.530 -12.902 533 HD1 PHE 95 HD1 PHE 95 3.236 -4.601 -13.259 534 HD2 PHE 95 HD2 PHE 95 5.155 -1.939 -10.547 535 HE1 PHE 95 HE1 PHE 95 2.978 -6.255 -11.458 536 HE2 PHE 95 HE2 PHE 95 4.901 -3.591 -8.743 537 HZ PHE 95 HZ PHE 95 3.811 -5.751 -9.196 538 H GLN 96 HN GLN 96 2.456 -1.011 -15.740 539 HA GLN 96 HA GLN 96 4.143 1.120 -16.549 540 HB2 GLN 96 HB2 GLN 96 1.598 0.001 -17.741 541 HB3 GLN 96 HB3 GLN 96 2.541 1.270 -18.506 542 HG2 GLN 96 HG2 GLN 96 3.190 -0.718 -19.556 543 HG3 GLN 96 HG3 GLN 96 4.500 -0.326 -18.446 544 HE21 GLN 96 HE21 GLN 96 5.237 -2.430 -18.313 545 HE22 GLN 96 HE22 GLN 96 4.365 -3.675 -17.494 546 H LYS 97 HN LYS 97 0.914 0.929 -15.201 547 HA LYS 97 HA LYS 97 0.097 3.615 -15.601 548 HB2 LYS 97 HB2 LYS 97 -0.711 1.627 -13.468 549 HB3 LYS 97 HB3 LYS 97 -1.555 3.121 -13.847 550 HG2 LYS 97 HG2 LYS 97 -1.197 0.780 -15.706 551 HG3 LYS 97 HG3 LYS 97 -2.669 1.193 -14.827 552 HD2 LYS 97 HD2 LYS 97 -2.658 3.397 -16.019 553 HD3 LYS 97 HD3 LYS 97 -1.320 2.792 -16.997 554 HE2 LYS 97 HE2 LYS 97 -3.375 2.495 -18.211 555 HE3 LYS 97 HE3 LYS 97 -2.760 0.915 -17.728 556 HZ1 LYS 97 HZ1 LYS 97 -5.162 1.143 -17.383 557 HZ2 LYS 97 HZ2 LYS 97 -4.892 2.414 -16.301 558 HZ3 LYS 97 HZ3 LYS 97 -4.344 0.858 -15.930 559 H PHE 98 HN PHE 98 1.957 1.987 -13.071 560 HA PHE 98 HA PHE 98 2.173 4.496 -11.570 561 HB2 PHE 98 HB2 PHE 98 2.994 1.683 -10.809 562 HB3 PHE 98 HB3 PHE 98 3.151 3.099 -9.777 563 HD1 PHE 98 HD1 PHE 98 0.666 4.487 -10.017 564 HD2 PHE 98 HD2 PHE 98 1.384 0.293 -9.952 565 HE1 PHE 98 HE1 PHE 98 -1.606 4.116 -9.157 566 HE2 PHE 98 HE2 PHE 98 -0.890 -0.086 -9.096 567 HZ PHE 98 HZ PHE 98 -2.388 1.830 -8.695 568 H CYS 99 HN CYS 99 3.580 4.043 -14.131 569 HA CYS 99 HA CYS 99 6.358 3.651 -13.435 570 HB2 CYS 99 HB2 CYS 99 5.388 2.919 -15.625 571 HB3 CYS 99 HB3 CYS 99 5.173 4.614 -16.052 572 HG CYS 99 HG CYS 99 7.928 2.722 -16.133 573 H MET 100 HN MET 100 6.103 5.438 -11.792 574 HA MET 100 HA MET 100 7.350 7.820 -12.809 575 HB2 MET 100 HB2 MET 100 5.690 9.416 -12.162 576 HB3 MET 100 HB3 MET 100 4.875 8.224 -13.166 577 HG2 MET 100 HG2 MET 100 4.180 7.097 -10.999 578 HG3 MET 100 HG3 MET 100 4.728 8.562 -10.188 579 HE1 MET 100 HE1 MET 100 2.701 7.759 -13.521 580 HE2 MET 100 HE2 MET 100 1.077 8.133 -12.943 581 HE3 MET 100 HE3 MET 100 1.992 6.815 -12.210 582 H SER 101 HN SER 101 7.660 9.430 -10.912 583 HA SER 101 HA SER 101 8.880 7.959 -8.768 584 HB2 SER 101 HB2 SER 101 9.513 10.197 -7.907 585 HB3 SER 101 HB3 SER 101 9.906 10.020 -9.617 586 HG SER 101 HG SER 101 8.081 11.685 -8.377 587 H GLY 102 HN GLY 102 8.481 8.360 -6.492 588 HA2 GLY 102 HA2 GLY 102 5.823 7.862 -5.750 589 HA3 GLY 102 HA1 GLY 102 7.124 8.287 -4.651 590 H ALA 103 HN ALA 103 7.690 10.876 -5.754 591 HA ALA 103 HA ALA 103 5.949 12.502 -4.296 592 HB1 ALA 103 HB1 ALA 103 7.667 13.279 -6.659 593 HB2 ALA 103 HB2 ALA 103 8.194 13.201 -4.978 594 HB3 ALA 103 HB3 ALA 103 6.979 14.382 -5.467 595 H ALA 104 HN ALA 104 5.904 11.572 -7.713 596 HA ALA 104 HA ALA 104 3.718 13.273 -8.435 597 HB1 ALA 104 HB1 ALA 104 3.696 12.025 -10.526 598 HB2 ALA 104 HB2 ALA 104 4.776 10.813 -9.834 599 HB3 ALA 104 HB3 ALA 104 5.347 12.463 -10.085 600 H LEU 105 HN LEU 105 4.069 9.851 -7.580 601 HA LEU 105 HA LEU 105 1.473 8.961 -8.016 602 HB2 LEU 105 HB2 LEU 105 3.586 7.657 -7.359 603 HB3 LEU 105 HB3 LEU 105 3.169 8.053 -5.704 604 HG LEU 105 HG LEU 105 0.954 6.929 -6.085 605 HD11 LEU 105 HD11 LEU 105 2.312 5.986 -8.607 606 HD12 LEU 105 HD12 LEU 105 0.904 7.045 -8.514 607 HD13 LEU 105 HD13 LEU 105 0.788 5.373 -7.966 608 HD21 LEU 105 HD21 LEU 105 3.433 5.245 -6.419 609 HD22 LEU 105 HD22 LEU 105 1.866 4.673 -5.850 610 HD23 LEU 105 HD23 LEU 105 2.780 5.836 -4.893 611 H CYS 106 HN CYS 106 2.852 10.493 -5.112 612 HA CYS 106 HA CYS 106 0.493 10.304 -3.548 613 HB2 CYS 106 HB2 CYS 106 2.826 12.223 -3.337 614 HB3 CYS 106 HB3 CYS 106 1.576 12.024 -2.113 615 HG CYS 106 HG CYS 106 3.689 9.521 -3.101 616 H ALA 107 HN ALA 107 1.814 12.838 -5.637 617 HA ALA 107 HA ALA 107 -0.107 14.829 -5.131 618 HB1 ALA 107 HB1 ALA 107 1.462 14.355 -7.661 619 HB2 ALA 107 HB2 ALA 107 2.023 15.261 -6.256 620 HB3 ALA 107 HB3 ALA 107 0.653 15.853 -7.197 621 H LEU 108 HN LEU 108 -0.261 11.943 -7.069 622 HA LEU 108 HA LEU 108 -2.374 12.704 -8.789 623 HB2 LEU 108 HB2 LEU 108 -1.315 10.036 -7.906 624 HB3 LEU 108 HB3 LEU 108 -2.671 10.177 -9.005 625 HG LEU 108 HG LEU 108 0.097 11.265 -9.522 626 HD11 LEU 108 HD11 LEU 108 0.093 8.846 -9.557 627 HD12 LEU 108 HD12 LEU 108 0.226 9.473 -11.199 628 HD13 LEU 108 HD13 LEU 108 -1.314 8.840 -10.621 629 HD21 LEU 108 HD21 LEU 108 -1.608 12.590 -10.622 630 HD22 LEU 108 HD22 LEU 108 -2.354 11.132 -11.274 631 HD23 LEU 108 HD23 LEU 108 -0.743 11.613 -11.808 632 H GLY 109 HN GLY 109 -2.301 11.406 -5.524 633 HA2 GLY 109 HA2 GLY 109 -4.005 11.367 -3.959 634 HA3 GLY 109 HA1 GLY 109 -5.106 11.974 -5.187 635 H LYS 110 HN LYS 110 -6.179 10.164 -3.604 636 HA LYS 110 HA LYS 110 -5.774 7.458 -4.265 637 HB2 LYS 110 HB2 LYS 110 -6.978 8.201 -2.241 638 HB3 LYS 110 HB3 LYS 110 -8.304 8.764 -3.249 639 HG2 LYS 110 HG2 LYS 110 -8.792 6.524 -3.961 640 HG3 LYS 110 HG3 LYS 110 -7.365 5.907 -3.129 641 HD2 LYS 110 HD2 LYS 110 -9.231 5.418 -1.746 642 HD3 LYS 110 HD3 LYS 110 -8.377 6.762 -0.990 643 HE2 LYS 110 HE2 LYS 110 -9.982 8.332 -1.951 644 HE3 LYS 110 HE3 LYS 110 -10.828 6.997 -2.732 645 HZ1 LYS 110 HZ1 LYS 110 -11.297 6.085 -0.523 646 HZ2 LYS 110 HZ2 LYS 110 -11.951 7.633 -0.712 647 HZ3 LYS 110 HZ3 LYS 110 -10.539 7.417 0.196 648 H GLU 111 HN GLU 111 -8.019 9.876 -5.587 649 HA GLU 111 HA GLU 111 -9.557 8.250 -7.242 650 HB2 GLU 111 HB2 GLU 111 -10.140 10.556 -6.907 651 HB3 GLU 111 HB3 GLU 111 -8.625 11.105 -7.606 652 HG2 GLU 111 HG2 GLU 111 -10.461 11.426 -9.150 653 HG3 GLU 111 HG3 GLU 111 -9.306 10.255 -9.782 654 H CYS 112 HN CYS 112 -6.727 10.173 -8.341 655 HA CYS 112 HA CYS 112 -6.561 8.966 -10.859 656 HB2 CYS 112 HB2 CYS 112 -4.442 10.325 -9.198 657 HB3 CYS 112 HB3 CYS 112 -4.200 9.835 -10.869 658 HG CYS 112 HG CYS 112 -6.938 11.571 -10.821 659 H PHE 113 HN PHE 113 -5.003 8.093 -7.788 660 HA PHE 113 HA PHE 113 -3.299 6.100 -8.806 661 HB2 PHE 113 HB2 PHE 113 -3.081 7.101 -6.551 662 HB3 PHE 113 HB3 PHE 113 -4.554 6.272 -6.056 663 HD1 PHE 113 HD1 PHE 113 -1.031 5.849 -6.978 664 HD2 PHE 113 HD2 PHE 113 -4.552 3.935 -5.552 665 HE1 PHE 113 HE1 PHE 113 0.303 3.885 -6.335 666 HE2 PHE 113 HE2 PHE 113 -3.225 1.967 -4.905 667 HZ PHE 113 HZ PHE 113 -0.794 1.940 -5.296 668 H LEU 114 HN LEU 114 -6.620 5.942 -7.536 669 HA LEU 114 HA LEU 114 -6.879 3.133 -7.733 670 HB2 LEU 114 HB2 LEU 114 -8.343 4.913 -6.488 671 HB3 LEU 114 HB3 LEU 114 -9.225 4.970 -8.002 672 HG LEU 114 HG LEU 114 -9.637 2.526 -7.813 673 HD11 LEU 114 HD11 LEU 114 -8.443 2.845 -5.061 674 HD12 LEU 114 HD12 LEU 114 -7.694 1.987 -6.408 675 HD13 LEU 114 HD13 LEU 114 -9.203 1.393 -5.714 676 HD21 LEU 114 HD21 LEU 114 -11.292 4.163 -7.049 677 HD22 LEU 114 HD22 LEU 114 -10.553 4.160 -5.448 678 HD23 LEU 114 HD23 LEU 114 -11.325 2.699 -6.066 679 H GLU 115 HN GLU 115 -7.208 5.718 -10.048 680 HA GLU 115 HA GLU 115 -8.586 4.183 -12.036 681 HB2 GLU 115 HB2 GLU 115 -7.015 6.759 -12.179 682 HB3 GLU 115 HB3 GLU 115 -7.838 6.051 -13.562 683 HG2 GLU 115 HG2 GLU 115 -9.971 6.283 -12.475 684 HG3 GLU 115 HG3 GLU 115 -9.195 6.851 -10.998 685 H LEU 116 HN LEU 116 -5.296 4.471 -11.014 686 HA LEU 116 HA LEU 116 -4.154 3.450 -13.472 687 HB2 LEU 116 HB2 LEU 116 -2.936 3.972 -10.760 688 HB3 LEU 116 HB3 LEU 116 -2.034 3.472 -12.175 689 HG LEU 116 HG LEU 116 -3.608 6.040 -12.007 690 HD11 LEU 116 HD11 LEU 116 -1.445 7.145 -11.726 691 HD12 LEU 116 HD12 LEU 116 -0.655 5.572 -11.628 692 HD13 LEU 116 HD13 LEU 116 -1.800 6.063 -10.380 693 HD21 LEU 116 HD21 LEU 116 -2.306 6.660 -13.981 694 HD22 LEU 116 HD22 LEU 116 -3.271 5.214 -14.276 695 HD23 LEU 116 HD23 LEU 116 -1.539 5.073 -13.976 696 H ALA 117 HN ALA 117 -5.116 2.224 -10.324 697 HA ALA 117 HA ALA 117 -4.153 -0.457 -11.100 698 HB1 ALA 117 HB1 ALA 117 -4.277 -0.977 -8.645 699 HB2 ALA 117 HB2 ALA 117 -4.550 0.744 -8.372 700 HB3 ALA 117 HB3 ALA 117 -3.047 0.194 -9.112 701 HA PRO 118 HA PRO 118 -8.105 -2.368 -11.442 702 HB2 PRO 118 HB2 PRO 118 -7.243 -4.087 -9.160 703 HB3 PRO 118 HB3 PRO 118 -7.934 -4.546 -10.720 704 HG2 PRO 118 HG2 PRO 118 -5.305 -4.766 -10.192 705 HG3 PRO 118 HG3 PRO 118 -5.925 -4.392 -11.808 706 HD2 PRO 118 HD2 PRO 118 -4.496 -2.661 -9.906 707 HD3 PRO 118 HD3 PRO 118 -4.692 -2.492 -11.657 708 H ASP 119 HN ASP 119 -10.069 -2.832 -10.326 709 HA ASP 119 HA ASP 119 -10.907 -0.860 -8.526 710 HB2 ASP 119 HB2 ASP 119 -12.190 -3.466 -9.293 711 HB3 ASP 119 HB3 ASP 119 -12.993 -2.191 -8.383 712 H PHE 120 HN PHE 120 -9.349 -3.850 -7.862 713 HA PHE 120 HA PHE 120 -10.295 -3.652 -5.109 714 HB2 PHE 120 HB2 PHE 120 -9.544 -6.076 -4.830 715 HB3 PHE 120 HB3 PHE 120 -10.953 -5.794 -5.842 716 HD1 PHE 120 HD1 PHE 120 -10.648 -5.796 -8.353 717 HD2 PHE 120 HD2 PHE 120 -7.664 -7.191 -5.657 718 HE1 PHE 120 HE1 PHE 120 -9.583 -7.046 -10.184 719 HE2 PHE 120 HE2 PHE 120 -6.594 -8.441 -7.485 720 HZ PHE 120 HZ PHE 120 -7.553 -8.370 -9.751 721 H VAL 121 HN VAL 121 -7.326 -4.483 -6.912 722 HA VAL 121 HA VAL 121 -5.612 -4.434 -4.676 723 HB VAL 121 HB VAL 121 -3.768 -4.390 -6.176 724 HG11 VAL 121 HG11 VAL 121 -5.147 -6.448 -6.167 725 HG12 VAL 121 HG12 VAL 121 -4.262 -6.204 -7.674 726 HG13 VAL 121 HG13 VAL 121 -5.988 -5.849 -7.597 727 HG21 VAL 121 HG21 VAL 121 -4.101 -3.947 -8.617 728 HG22 VAL 121 HG22 VAL 121 -4.267 -2.540 -7.569 729 HG23 VAL 121 HG23 VAL 121 -5.704 -3.332 -8.216 730 H GLY 122 HN GLY 122 -6.733 -1.853 -6.810 731 HA2 GLY 122 HA2 GLY 122 -4.947 0.172 -6.217 732 HA3 GLY 122 HA1 GLY 122 -6.645 0.431 -6.581 733 H ASP 123 HN ASP 123 -7.747 -0.876 -4.317 734 HA ASP 123 HA ASP 123 -7.663 1.203 -2.408 735 HB2 ASP 123 HB2 ASP 123 -8.732 -1.610 -2.137 736 HB3 ASP 123 HB3 ASP 123 -9.056 -0.290 -1.019 737 H ILE 124 HN ILE 124 -6.328 -2.089 -2.376 738 HA ILE 124 HA ILE 124 -5.219 -2.081 0.182 739 HB ILE 124 HB ILE 124 -4.099 -3.469 -2.257 740 HG12 ILE 124 HG12 ILE 124 -6.098 -4.489 -0.226 741 HG13 ILE 124 HG13 ILE 124 -6.489 -3.989 -1.869 742 HG21 ILE 124 HG21 ILE 124 -3.169 -5.064 -0.635 743 HG22 ILE 124 HG22 ILE 124 -3.763 -4.052 0.682 744 HG23 ILE 124 HG23 ILE 124 -2.527 -3.437 -0.416 745 HD11 ILE 124 HD11 ILE 124 -4.702 -6.278 -1.091 746 HD12 ILE 124 HD12 ILE 124 -5.054 -5.762 -2.741 747 HD13 ILE 124 HD13 ILE 124 -6.348 -6.394 -1.720 748 H LEU 125 HN LEU 125 -3.604 -1.382 -2.914 749 HA LEU 125 HA LEU 125 -1.103 -0.727 -1.868 750 HB2 LEU 125 HB2 LEU 125 -2.442 0.353 -4.366 751 HB3 LEU 125 HB3 LEU 125 -0.736 0.506 -3.999 752 HG LEU 125 HG LEU 125 -2.228 -2.065 -4.510 753 HD11 LEU 125 HD11 LEU 125 -1.829 -0.739 -6.518 754 HD12 LEU 125 HD12 LEU 125 -0.843 -2.201 -6.508 755 HD13 LEU 125 HD13 LEU 125 -0.114 -0.643 -6.119 756 HD21 LEU 125 HD21 LEU 125 -0.505 -2.430 -2.848 757 HD22 LEU 125 HD22 LEU 125 0.679 -1.598 -3.858 758 HD23 LEU 125 HD23 LEU 125 -0.013 -3.131 -4.390 759 H TRP 126 HN TRP 126 -3.698 1.610 -2.819 760 HA TRP 126 HA TRP 126 -2.296 3.851 -1.801 761 HB2 TRP 126 HB2 TRP 126 -4.045 4.429 -3.270 762 HB3 TRP 126 HB3 TRP 126 -5.196 3.342 -2.502 763 HD1 TRP 126 HD1 TRP 126 -3.914 6.890 -2.378 764 HE1 TRP 126 HE1 TRP 126 -5.263 8.230 -0.643 765 HE3 TRP 126 HE3 TRP 126 -6.468 3.042 -0.198 766 HZ2 TRP 126 HZ2 TRP 126 -7.160 7.717 1.388 767 HZ3 TRP 126 HZ3 TRP 126 -8.029 3.547 1.634 768 HH2 TRP 126 HH2 TRP 126 -8.366 5.836 2.410 769 H GLU 127 HN GLU 127 -4.260 1.458 -0.144 770 HA GLU 127 HA GLU 127 -4.802 2.942 2.198 771 HB2 GLU 127 HB2 GLU 127 -5.778 0.692 1.601 772 HB3 GLU 127 HB3 GLU 127 -4.244 -0.037 2.052 773 HG2 GLU 127 HG2 GLU 127 -4.509 0.835 4.326 774 HG3 GLU 127 HG3 GLU 127 -6.060 1.537 3.864 775 H HIS 128 HN HIS 128 -2.167 0.583 1.583 776 HA HIS 128 HA HIS 128 -0.710 1.322 3.921 777 HB2 HIS 128 HB2 HIS 128 -0.541 -0.916 2.859 778 HB3 HIS 128 HB3 HIS 128 0.252 -0.176 1.474 779 HD1 HIS 128 HD1 HIS 128 2.225 -1.880 2.101 780 HD2 HIS 128 HD2 HIS 128 1.556 1.202 4.807 781 HE1 HIS 128 HE1 HIS 128 4.290 -1.779 3.530 782 HE2 HIS 128 HE2 HIS 128 3.880 0.118 5.135 783 H LEU 129 HN LEU 129 -0.615 2.252 0.534 784 HA LEU 129 HA LEU 129 1.824 3.601 0.424 785 HB2 LEU 129 HB2 LEU 129 0.348 3.081 -1.512 786 HB3 LEU 129 HB3 LEU 129 -0.745 4.343 -0.986 787 HG LEU 129 HG LEU 129 1.021 6.021 -1.347 788 HD11 LEU 129 HD11 LEU 129 2.612 3.697 -2.427 789 HD12 LEU 129 HD12 LEU 129 2.966 4.602 -0.955 790 HD13 LEU 129 HD13 LEU 129 3.068 5.397 -2.526 791 HD21 LEU 129 HD21 LEU 129 -0.582 5.503 -3.122 792 HD22 LEU 129 HD22 LEU 129 0.503 4.255 -3.737 793 HD23 LEU 129 HD23 LEU 129 0.993 5.950 -3.780 794 H GLU 130 HN GLU 130 -1.416 4.871 1.230 795 HA GLU 130 HA GLU 130 -0.583 7.499 1.729 796 HB2 GLU 130 HB2 GLU 130 -2.946 6.774 1.339 797 HB3 GLU 130 HB3 GLU 130 -2.950 6.091 2.959 798 HG2 GLU 130 HG2 GLU 130 -2.664 8.258 3.939 799 HG3 GLU 130 HG3 GLU 130 -2.449 8.993 2.350 800 H ILE 131 HN ILE 131 -0.808 4.650 3.765 801 HA ILE 131 HA ILE 131 -0.353 5.852 6.261 802 HB ILE 131 HB ILE 131 0.211 3.081 5.216 803 HG12 ILE 131 HG12 ILE 131 -1.774 4.021 7.291 804 HG13 ILE 131 HG13 ILE 131 -2.154 3.889 5.577 805 HG21 ILE 131 HG21 ILE 131 0.710 4.150 7.983 806 HG22 ILE 131 HG22 ILE 131 1.853 3.358 6.899 807 HG23 ILE 131 HG23 ILE 131 0.539 2.433 7.619 808 HD11 ILE 131 HD11 ILE 131 -2.945 1.956 6.807 809 HD12 ILE 131 HD12 ILE 131 -1.309 1.632 7.380 810 HD13 ILE 131 HD13 ILE 131 -1.685 1.495 5.662 811 H LEU 132 HN LEU 132 1.898 4.499 3.865 812 HA LEU 132 HA LEU 132 4.303 4.838 5.223 813 HB2 LEU 132 HB2 LEU 132 3.686 5.012 2.279 814 HB3 LEU 132 HB3 LEU 132 5.315 5.005 2.924 815 HG LEU 132 HG LEU 132 3.337 2.771 3.367 816 HD11 LEU 132 HD11 LEU 132 3.803 2.948 0.998 817 HD12 LEU 132 HD12 LEU 132 4.623 1.540 1.674 818 HD13 LEU 132 HD13 LEU 132 5.537 3.007 1.320 819 HD21 LEU 132 HD21 LEU 132 5.313 1.507 4.035 820 HD22 LEU 132 HD22 LEU 132 5.109 2.939 5.044 821 HD23 LEU 132 HD23 LEU 132 6.323 2.927 3.765 822 H GLN 133 HN GLN 133 2.409 7.167 3.366 823 HA GLN 133 HA GLN 133 4.292 9.252 3.264 824 HB2 GLN 133 HB2 GLN 133 1.285 9.494 3.378 825 HB3 GLN 133 HB3 GLN 133 2.408 10.710 2.789 826 HG2 GLN 133 HG2 GLN 133 3.040 9.282 0.946 827 HG3 GLN 133 HG3 GLN 133 1.997 8.001 1.557 828 HE21 GLN 133 HE21 GLN 133 0.758 7.921 -0.298 829 HE22 GLN 133 HE22 GLN 133 -0.356 9.170 -0.724 830 H LYS 134 HN LYS 134 1.798 8.454 5.651 831 HA LYS 134 HA LYS 134 2.104 10.726 7.280 832 HB2 LYS 134 HB2 LYS 134 0.225 8.980 7.268 833 HB3 LYS 134 HB3 LYS 134 1.276 8.017 8.294 834 HG2 LYS 134 HG2 LYS 134 1.349 9.937 9.889 835 HG3 LYS 134 HG3 LYS 134 0.129 10.732 8.892 836 HD2 LYS 134 HD2 LYS 134 -1.451 8.985 9.309 837 HD3 LYS 134 HD3 LYS 134 -0.227 7.995 10.105 838 HE2 LYS 134 HE2 LYS 134 -0.018 9.776 11.838 839 HE3 LYS 134 HE3 LYS 134 -1.374 10.609 11.079 840 HZ1 LYS 134 HZ1 LYS 134 -1.441 7.890 12.275 841 HZ2 LYS 134 HZ2 LYS 134 -2.742 8.641 11.498 842 HZ3 LYS 134 HZ3 LYS 134 -2.127 9.289 12.934 843 H GLU 135 HN GLU 135 3.824 7.640 7.221 844 HA GLU 135 HA GLU 135 5.083 7.646 9.671 845 HB2 GLU 135 HB2 GLU 135 5.778 6.579 6.995 846 HB3 GLU 135 HB3 GLU 135 7.095 6.699 8.152 847 HG2 GLU 135 HG2 GLU 135 6.237 4.525 8.359 848 HG3 GLU 135 HG3 GLU 135 5.646 5.415 9.760 849 H ASP 136 HN ASP 136 6.189 9.255 6.702 850 HA ASP 136 HA ASP 136 7.785 11.074 8.368 851 HB2 ASP 136 HB2 ASP 136 8.683 9.746 5.801 852 HB3 ASP 136 HB3 ASP 136 9.544 11.063 6.591 853 H VAL 137 HN VAL 137 6.033 12.543 8.153 854 HA VAL 137 HA VAL 137 4.905 13.386 5.733 855 HB VAL 137 HB VAL 137 5.235 14.955 8.297 856 HG11 VAL 137 HG11 VAL 137 4.780 16.492 6.510 857 HG12 VAL 137 HG12 VAL 137 3.302 16.275 7.446 858 HG13 VAL 137 HG13 VAL 137 3.488 15.464 5.892 859 HG21 VAL 137 HG21 VAL 137 2.922 13.311 7.266 860 HG22 VAL 137 HG22 VAL 137 2.929 14.266 8.749 861 HG23 VAL 137 HG23 VAL 137 3.996 12.872 8.594 862 H LYS 138 HN LYS 138 6.318 13.833 4.110 863 HA LYS 138 HA LYS 138 7.546 16.398 4.071 864 HB2 LYS 138 HB2 LYS 138 9.255 15.150 5.363 865 HB3 LYS 138 HB3 LYS 138 9.411 14.014 4.031 866 HG2 LYS 138 HG2 LYS 138 10.174 15.843 2.581 867 HG3 LYS 138 HG3 LYS 138 10.058 16.954 3.946 868 HD2 LYS 138 HD2 LYS 138 11.707 15.604 5.169 869 HD3 LYS 138 HD3 LYS 138 11.837 14.522 3.781 870 HE2 LYS 138 HE2 LYS 138 12.607 16.413 2.405 871 HE3 LYS 138 HE3 LYS 138 12.518 17.461 3.819 872 HZ1 LYS 138 HZ1 LYS 138 14.769 16.712 3.465 873 HZ2 LYS 138 HZ2 LYS 138 14.284 15.093 3.507 874 HZ3 LYS 138 HZ3 LYS 138 14.174 16.044 4.902 Start of MODEL 9 1 H HIS 28 H1 HIS 28 0.913 17.328 12.688 2 HA HIS 28 HA HIS 28 1.643 16.554 14.823 3 HB2 HIS 28 HB2 HIS 28 0.146 14.390 13.318 4 HB3 HIS 28 HB3 HIS 28 0.144 14.629 15.061 5 HD1 HIS 28 HD1 HIS 28 -1.624 15.576 12.028 6 HD2 HIS 28 HD2 HIS 28 -1.135 17.144 15.845 7 HE1 HIS 28 HE1 HIS 28 -3.472 17.260 12.305 8 HE2 HIS 28 HE2 HIS 28 -3.114 18.247 14.595 9 H MET 29 HN MET 29 3.996 16.314 14.545 10 HA MET 29 HA MET 29 5.923 15.163 14.840 11 HB2 MET 29 HB2 MET 29 4.693 13.983 16.599 12 HB3 MET 29 HB3 MET 29 4.084 12.832 15.421 13 HG2 MET 29 HG2 MET 29 5.881 11.829 16.636 14 HG3 MET 29 HG3 MET 29 6.403 12.112 14.977 15 HE1 MET 29 HE1 MET 29 7.710 14.654 18.600 16 HE2 MET 29 HE2 MET 29 6.574 13.307 18.674 17 HE3 MET 29 HE3 MET 29 6.108 14.812 17.882 18 H GLU 30 HN GLU 30 4.076 12.417 13.542 19 HA GLU 30 HA GLU 30 6.048 12.124 11.421 20 HB2 GLU 30 HB2 GLU 30 4.865 9.981 10.958 21 HB3 GLU 30 HB3 GLU 30 5.472 10.107 12.602 22 HG2 GLU 30 HG2 GLU 30 3.243 10.651 13.404 23 HG3 GLU 30 HG3 GLU 30 2.622 10.585 11.757 24 H CYS 31 HN CYS 31 2.591 12.766 11.812 25 HA CYS 31 HA CYS 31 1.966 12.743 9.039 26 HB2 CYS 31 HB2 CYS 31 0.523 14.109 11.323 27 HB3 CYS 31 HB3 CYS 31 -0.137 13.828 9.716 28 HG CYS 31 HG CYS 31 0.403 11.591 12.213 29 H ALA 32 HN ALA 32 1.636 14.480 7.616 30 HA ALA 32 HA ALA 32 3.401 16.728 8.061 31 HB1 ALA 32 HB1 ALA 32 1.667 16.073 5.679 32 HB2 ALA 32 HB2 ALA 32 3.354 15.602 5.888 33 HB3 ALA 32 HB3 ALA 32 2.926 17.306 5.742 34 H ASP 33 HN ASP 33 1.912 17.335 9.946 35 HA ASP 33 HA ASP 33 0.120 19.450 9.018 36 HB2 ASP 33 HB2 ASP 33 -0.702 17.427 11.116 37 HB3 ASP 33 HB3 ASP 33 -1.648 18.809 10.579 38 H VAL 34 HN VAL 34 -0.625 20.795 10.995 39 HA VAL 34 HA VAL 34 1.725 21.658 12.375 40 HB VAL 34 HB VAL 34 -1.146 22.511 12.808 41 HG11 VAL 34 HG11 VAL 34 0.312 23.060 14.698 42 HG12 VAL 34 HG12 VAL 34 -0.196 24.510 13.834 43 HG13 VAL 34 HG13 VAL 34 1.431 23.869 13.601 44 HG21 VAL 34 HG21 VAL 34 -0.460 22.912 10.517 45 HG22 VAL 34 HG22 VAL 34 1.015 23.705 11.071 46 HG23 VAL 34 HG23 VAL 34 -0.555 24.441 11.392 47 HA PRO 35 HA PRO 35 1.421 18.726 15.750 48 HB2 PRO 35 HB2 PRO 35 3.226 20.704 17.044 49 HB3 PRO 35 HB3 PRO 35 3.431 18.962 16.827 50 HG2 PRO 35 HG2 PRO 35 4.813 20.683 15.341 51 HG3 PRO 35 HG3 PRO 35 4.167 19.188 14.637 52 HD2 PRO 35 HD2 PRO 35 3.142 21.990 14.407 53 HD3 PRO 35 HD3 PRO 35 3.226 20.715 13.174 54 H LEU 36 HN LEU 36 -0.558 18.885 16.659 55 HA LEU 36 HA LEU 36 -0.881 20.657 18.915 56 HB2 LEU 36 HB2 LEU 36 -1.686 22.063 17.085 57 HB3 LEU 36 HB3 LEU 36 -2.778 20.794 16.569 58 HG LEU 36 HG LEU 36 -3.993 21.012 18.729 59 HD11 LEU 36 HD11 LEU 36 -3.585 22.973 20.124 60 HD12 LEU 36 HD12 LEU 36 -2.195 23.400 19.125 61 HD13 LEU 36 HD13 LEU 36 -2.174 21.915 20.077 62 HD21 LEU 36 HD21 LEU 36 -5.117 23.097 18.170 63 HD22 LEU 36 HD22 LEU 36 -4.763 22.170 16.712 64 HD23 LEU 36 HD23 LEU 36 -3.767 23.563 17.135 65 H LEU 37 HN LEU 37 -2.758 18.535 16.753 66 HA LEU 37 HA LEU 37 -4.007 17.292 19.085 67 HB2 LEU 37 HB2 LEU 37 -5.440 18.049 17.218 68 HB3 LEU 37 HB3 LEU 37 -4.608 16.939 16.145 69 HG LEU 37 HG LEU 37 -5.425 15.046 17.553 70 HD11 LEU 37 HD11 LEU 37 -7.082 17.190 18.875 71 HD12 LEU 37 HD12 LEU 37 -5.765 16.291 19.628 72 HD13 LEU 37 HD13 LEU 37 -7.233 15.451 19.131 73 HD21 LEU 37 HD21 LEU 37 -7.714 15.114 16.712 74 HD22 LEU 37 HD22 LEU 37 -6.573 15.691 15.496 75 HD23 LEU 37 HD23 LEU 37 -7.556 16.843 16.400 76 H TPO 38 HN TPO 38 -2.177 16.122 19.807 77 HA TPO 38 HA TPO 38 -1.702 13.665 18.271 78 HB TPO 38 HB TPO 38 0.229 15.076 17.855 79 HG21 TPO 38 HG21 TPO 38 1.285 15.094 20.571 80 HG22 TPO 38 HG22 TPO 38 -0.134 16.120 20.364 81 HG23 TPO 38 HG23 TPO 38 1.284 16.361 19.344 82 HA PRO 39 HA PRO 39 -2.727 12.949 22.799 83 HB2 PRO 39 HB2 PRO 39 -5.034 11.598 22.462 84 HB3 PRO 39 HB3 PRO 39 -4.980 13.365 22.505 85 HG2 PRO 39 HG2 PRO 39 -5.108 11.532 20.137 86 HG3 PRO 39 HG3 PRO 39 -6.017 13.024 20.445 87 HD2 PRO 39 HD2 PRO 39 -3.817 12.932 18.848 88 HD3 PRO 39 HD3 PRO 39 -4.274 14.370 19.782 89 H SER 40 HN SER 40 -3.363 10.690 23.769 90 HA SER 40 HA SER 40 -1.397 8.843 23.113 91 HB2 SER 40 HB2 SER 40 -2.597 8.870 25.273 92 HB3 SER 40 HB3 SER 40 -4.047 8.276 24.466 93 HG SER 40 HG SER 40 -3.263 6.349 24.665 94 H SEP 41 HN SEP 41 -4.778 8.987 22.058 95 HA SEP 41 HA SEP 41 -4.908 6.555 20.695 96 HB2 SEP 41 HB2 SEP 41 -6.893 7.923 21.190 97 HB3 SEP 41 HB3 SEP 41 -6.340 9.140 20.035 98 H LYS 42 HN LYS 42 -3.856 9.744 19.554 99 HA LYS 42 HA LYS 42 -3.445 8.989 16.854 100 HB2 LYS 42 HB2 LYS 42 -3.661 11.320 17.438 101 HB3 LYS 42 HB3 LYS 42 -2.274 11.228 18.512 102 HG2 LYS 42 HG2 LYS 42 -1.600 12.340 16.517 103 HG3 LYS 42 HG3 LYS 42 -0.848 10.746 16.530 104 HD2 LYS 42 HD2 LYS 42 -1.640 11.082 14.327 105 HD3 LYS 42 HD3 LYS 42 -2.773 9.965 15.087 106 HE2 LYS 42 HE2 LYS 42 -4.031 11.590 13.859 107 HE3 LYS 42 HE3 LYS 42 -4.256 11.904 15.578 108 HZ1 LYS 42 HZ1 LYS 42 -2.665 13.696 15.448 109 HZ2 LYS 42 HZ2 LYS 42 -3.878 13.937 14.295 110 HZ3 LYS 42 HZ3 LYS 42 -2.360 13.364 13.816 111 H GLU 43 HN GLU 43 -1.334 9.042 19.686 112 HA GLU 43 HA GLU 43 1.050 8.348 18.317 113 HB2 GLU 43 HB2 GLU 43 0.311 8.003 21.228 114 HB3 GLU 43 HB3 GLU 43 1.935 7.839 20.572 115 HG2 GLU 43 HG2 GLU 43 2.064 10.130 20.043 116 HG3 GLU 43 HG3 GLU 43 0.333 10.361 20.279 117 H MET 44 HN MET 44 -1.423 6.400 19.962 118 HA MET 44 HA MET 44 0.010 3.937 19.647 119 HB2 MET 44 HB2 MET 44 -1.938 2.859 20.537 120 HB3 MET 44 HB3 MET 44 -1.676 4.340 21.445 121 HG2 MET 44 HG2 MET 44 -3.427 5.446 20.165 122 HG3 MET 44 HG3 MET 44 -3.682 3.976 19.230 123 HE1 MET 44 HE1 MET 44 -6.930 3.976 21.330 124 HE2 MET 44 HE2 MET 44 -6.227 3.694 19.737 125 HE3 MET 44 HE3 MET 44 -6.130 5.293 20.472 126 H MET 45 HN MET 45 -2.291 5.732 17.735 127 HA MET 45 HA MET 45 -3.246 3.733 16.047 128 HB2 MET 45 HB2 MET 45 -4.184 5.992 16.121 129 HB3 MET 45 HB3 MET 45 -2.708 6.642 15.424 130 HG2 MET 45 HG2 MET 45 -3.120 5.341 13.385 131 HG3 MET 45 HG3 MET 45 -4.624 4.748 14.087 132 HE1 MET 45 HE1 MET 45 -5.723 7.288 11.257 133 HE2 MET 45 HE2 MET 45 -5.820 5.618 11.815 134 HE3 MET 45 HE3 MET 45 -4.286 6.267 11.238 135 H SER 46 HN SER 46 -0.262 5.646 15.852 136 HA SER 46 HA SER 46 0.457 4.419 13.328 137 HB2 SER 46 HB2 SER 46 2.492 5.826 13.479 138 HB3 SER 46 HB3 SER 46 1.019 6.769 13.683 139 HG SER 46 HG SER 46 1.832 7.391 15.506 140 H GLN 47 HN GLN 47 1.178 3.981 16.719 141 HA GLN 47 HA GLN 47 3.574 2.615 16.687 142 HB2 GLN 47 HB2 GLN 47 1.127 2.333 18.400 143 HB3 GLN 47 HB3 GLN 47 2.530 1.303 18.651 144 HG2 GLN 47 HG2 GLN 47 3.905 3.145 19.193 145 HG3 GLN 47 HG3 GLN 47 2.702 4.300 18.626 146 HE21 GLN 47 HE21 GLN 47 2.017 1.467 20.610 147 HE22 GLN 47 HE22 GLN 47 1.535 2.348 22.015 148 H ALA 48 HN ALA 48 0.315 1.209 16.350 149 HA ALA 48 HA ALA 48 1.177 -1.435 15.895 150 HB1 ALA 48 HB1 ALA 48 -1.095 -1.892 15.220 151 HB2 ALA 48 HB2 ALA 48 -1.412 -0.168 15.024 152 HB3 ALA 48 HB3 ALA 48 -1.098 -0.830 16.628 153 H LEU 49 HN LEU 49 0.584 1.254 13.688 154 HA LEU 49 HA LEU 49 0.561 -0.158 11.275 155 HB2 LEU 49 HB2 LEU 49 1.421 2.643 11.954 156 HB3 LEU 49 HB3 LEU 49 1.431 2.040 10.307 157 HG LEU 49 HG LEU 49 -1.030 2.140 12.054 158 HD11 LEU 49 HD11 LEU 49 -0.154 4.390 11.572 159 HD12 LEU 49 HD12 LEU 49 -1.694 4.081 10.772 160 HD13 LEU 49 HD13 LEU 49 -0.194 4.019 9.849 161 HD21 LEU 49 HD21 LEU 49 -2.189 1.838 9.881 162 HD22 LEU 49 HD22 LEU 49 -1.196 0.456 10.342 163 HD23 LEU 49 HD23 LEU 49 -0.618 1.587 9.118 164 H LYS 50 HN LYS 50 3.274 1.059 13.188 165 HA LYS 50 HA LYS 50 5.288 0.502 11.270 166 HB2 LYS 50 HB2 LYS 50 5.503 0.772 14.273 167 HB3 LYS 50 HB3 LYS 50 6.859 0.780 13.153 168 HG2 LYS 50 HG2 LYS 50 6.086 2.826 12.153 169 HG3 LYS 50 HG3 LYS 50 4.620 2.791 13.134 170 HD2 LYS 50 HD2 LYS 50 6.000 2.979 15.164 171 HD3 LYS 50 HD3 LYS 50 7.446 3.068 14.157 172 HE2 LYS 50 HE2 LYS 50 6.820 5.293 14.804 173 HE3 LYS 50 HE3 LYS 50 6.505 5.097 13.081 174 HZ1 LYS 50 HZ1 LYS 50 4.171 4.757 13.573 175 HZ2 LYS 50 HZ2 LYS 50 4.691 6.237 14.206 176 HZ3 LYS 50 HZ3 LYS 50 4.464 4.912 15.233 177 H ALA 51 HN ALA 51 3.875 -1.405 13.889 178 HA ALA 51 HA ALA 51 5.801 -3.546 13.536 179 HB1 ALA 51 HB1 ALA 51 4.991 -2.966 15.775 180 HB2 ALA 51 HB2 ALA 51 4.641 -4.645 15.361 181 HB3 ALA 51 HB3 ALA 51 3.358 -3.435 15.301 182 H THR 52 HN THR 52 2.485 -2.860 12.573 183 HA THR 52 HA THR 52 1.764 -5.518 11.896 184 HB THR 52 HB THR 52 0.127 -3.656 12.252 185 HG1 THR 52 HG1 THR 52 -1.203 -4.882 11.154 186 HG21 THR 52 HG21 THR 52 -0.394 -2.161 10.411 187 HG22 THR 52 HG22 THR 52 0.910 -2.857 9.450 188 HG23 THR 52 HG23 THR 52 1.284 -1.944 10.909 189 H PHE 53 HN PHE 53 3.526 -3.025 10.180 190 HA PHE 53 HA PHE 53 3.488 -4.654 7.736 191 HB2 PHE 53 HB2 PHE 53 4.173 -1.757 8.228 192 HB3 PHE 53 HB3 PHE 53 4.567 -2.570 6.717 193 HD1 PHE 53 HD2 PHE 53 2.659 -3.619 5.398 194 HD2 PHE 53 HD1 PHE 53 2.048 -0.858 8.578 195 HE1 PHE 53 HE2 PHE 53 0.397 -3.150 4.552 196 HE2 PHE 53 HE1 PHE 53 -0.213 -0.384 7.737 197 HZ PHE 53 HZ PHE 53 -1.042 -1.530 5.723 198 H SER 54 HN SER 54 4.917 -5.940 9.488 199 HA SER 54 HA SER 54 7.667 -5.139 9.629 200 HB2 SER 54 HB2 SER 54 6.524 -6.563 11.350 201 HB3 SER 54 HB3 SER 54 6.491 -7.876 10.173 202 HG SER 54 HG SER 54 8.304 -8.079 11.493 203 H GLY 55 HN GLY 55 5.748 -6.942 7.357 204 HA2 GLY 55 HA2 GLY 55 7.954 -8.336 6.138 205 HA3 GLY 55 HA1 GLY 55 6.319 -8.208 5.506 206 H PHE 56 HN PHE 56 6.647 -5.176 5.911 207 HA PHE 56 HA PHE 56 7.603 -4.665 3.227 208 HB2 PHE 56 HB2 PHE 56 5.595 -3.495 4.101 209 HB3 PHE 56 HB3 PHE 56 6.610 -2.685 5.291 210 HD1 PHE 56 HD1 PHE 56 7.340 -3.362 1.711 211 HD2 PHE 56 HD2 PHE 56 6.471 -0.439 4.682 212 HE1 PHE 56 HE1 PHE 56 7.821 -1.577 0.091 213 HE2 PHE 56 HE2 PHE 56 6.951 1.351 3.063 214 HZ PHE 56 HZ PHE 56 7.629 0.781 0.765 215 H THR 57 HN THR 57 8.487 -3.622 6.517 216 HA THR 57 HA THR 57 10.727 -2.103 5.883 217 HB THR 57 HB THR 57 10.416 -3.840 8.339 218 HG1 THR 57 HG1 THR 57 8.804 -2.535 8.757 219 HG21 THR 57 HG21 THR 57 11.822 -2.104 9.408 220 HG22 THR 57 HG22 THR 57 12.031 -1.338 7.833 221 HG23 THR 57 HG23 THR 57 12.663 -2.959 8.115 222 H LYS 58 HN LYS 58 10.406 -5.594 6.149 223 HA LYS 58 HA LYS 58 13.154 -6.230 6.130 224 HB2 LYS 58 HB2 LYS 58 10.711 -7.765 5.253 225 HB3 LYS 58 HB3 LYS 58 12.327 -8.451 5.179 226 HG2 LYS 58 HG2 LYS 58 12.578 -8.281 7.553 227 HG3 LYS 58 HG3 LYS 58 11.059 -7.394 7.693 228 HD2 LYS 58 HD2 LYS 58 9.801 -9.318 7.006 229 HD3 LYS 58 HD3 LYS 58 11.278 -10.205 6.627 230 HE2 LYS 58 HE2 LYS 58 10.412 -10.975 8.738 231 HE3 LYS 58 HE3 LYS 58 11.912 -10.093 9.015 232 HZ1 LYS 58 HZ1 LYS 58 9.189 -8.955 9.358 233 HZ2 LYS 58 HZ2 LYS 58 10.651 -8.182 9.715 234 HZ3 LYS 58 HZ3 LYS 58 10.164 -9.527 10.617 235 H GLU 59 HN GLU 59 10.883 -5.421 3.598 236 HA GLU 59 HA GLU 59 12.652 -6.158 1.439 237 HB2 GLU 59 HB2 GLU 59 10.316 -6.351 1.003 238 HB3 GLU 59 HB3 GLU 59 9.997 -4.729 1.593 239 HG2 GLU 59 HG2 GLU 59 11.860 -4.663 -0.599 240 HG3 GLU 59 HG3 GLU 59 10.393 -5.532 -1.045 241 H GLN 60 HN GLN 60 11.559 -3.189 3.039 242 HA GLN 60 HA GLN 60 12.827 -1.320 1.405 243 HB2 GLN 60 HB2 GLN 60 12.303 -1.133 4.372 244 HB3 GLN 60 HB3 GLN 60 12.614 0.220 3.296 245 HG2 GLN 60 HG2 GLN 60 10.561 -0.330 2.057 246 HG3 GLN 60 HG3 GLN 60 10.247 -1.628 3.203 247 HE21 GLN 60 HE21 GLN 60 10.288 1.802 2.697 248 HE22 GLN 60 HE22 GLN 60 9.452 2.229 4.146 249 H GLN 61 HN GLN 61 14.126 -3.333 3.952 250 HA GLN 61 HA GLN 61 16.602 -1.833 4.110 251 HB2 GLN 61 HB2 GLN 61 17.319 -3.552 5.691 252 HB3 GLN 61 HB3 GLN 61 15.736 -2.917 6.112 253 HG2 GLN 61 HG2 GLN 61 14.679 -4.889 5.155 254 HG3 GLN 61 HG3 GLN 61 16.258 -5.524 4.699 255 HE21 GLN 61 HE21 GLN 61 14.086 -4.844 7.336 256 HE22 GLN 61 HE22 GLN 61 14.908 -5.796 8.521 257 H ARG 62 HN ARG 62 15.391 -4.246 2.043 258 HA ARG 62 HA ARG 62 17.964 -5.432 1.444 259 HB2 ARG 62 HB2 ARG 62 15.227 -5.756 0.210 260 HB3 ARG 62 HB3 ARG 62 16.656 -6.603 -0.365 261 HG2 ARG 62 HG2 ARG 62 16.840 -7.861 1.605 262 HG3 ARG 62 HG3 ARG 62 15.736 -6.801 2.482 263 HD2 ARG 62 HD2 ARG 62 14.670 -8.921 1.872 264 HD3 ARG 62 HD3 ARG 62 13.887 -7.546 1.101 265 HE ARG 62 HE ARG 62 15.875 -9.134 -0.371 266 HH11 ARG 62 HH11 ARG 62 12.583 -7.960 -0.046 267 HH12 ARG 62 HH12 ARG 62 12.119 -8.477 -1.630 268 HH21 ARG 62 HH21 ARG 62 15.246 -9.808 -2.451 269 HH22 ARG 62 HH22 ARG 62 13.626 -9.526 -2.993 270 H LEU 63 HN LEU 63 15.750 -3.080 0.014 271 HA LEU 63 HA LEU 63 17.634 -2.613 -2.203 272 HB2 LEU 63 HB2 LEU 63 14.769 -1.733 -1.886 273 HB3 LEU 63 HB3 LEU 63 15.781 -1.468 -3.294 274 HG LEU 63 HG LEU 63 15.947 -4.156 -3.108 275 HD11 LEU 63 HD11 LEU 63 13.232 -3.412 -2.040 276 HD12 LEU 63 HD12 LEU 63 14.472 -4.375 -1.235 277 HD13 LEU 63 HD13 LEU 63 13.662 -5.002 -2.670 278 HD21 LEU 63 HD21 LEU 63 14.252 -4.228 -4.880 279 HD22 LEU 63 HD22 LEU 63 15.392 -2.902 -5.108 280 HD23 LEU 63 HD23 LEU 63 13.776 -2.577 -4.481 281 H GLY 64 HN GLY 64 16.214 -1.078 0.622 282 HA2 GLY 64 HA2 GLY 64 17.368 0.757 1.653 283 HA3 GLY 64 HA1 GLY 64 17.883 1.283 0.059 284 H ILE 65 HN ILE 65 14.672 0.378 -0.114 285 HA ILE 65 HA ILE 65 13.692 2.922 -0.685 286 HB ILE 65 HB ILE 65 12.146 0.498 0.253 287 HG12 ILE 65 HG12 ILE 65 12.645 1.529 -2.548 288 HG13 ILE 65 HG13 ILE 65 13.510 0.185 -1.814 289 HG21 ILE 65 HG21 ILE 65 10.219 1.575 -0.877 290 HG22 ILE 65 HG22 ILE 65 11.196 3.031 -1.076 291 HG23 ILE 65 HG23 ILE 65 10.786 2.457 0.540 292 HD11 ILE 65 HD11 ILE 65 11.698 -0.501 -3.345 293 HD12 ILE 65 HD12 ILE 65 10.536 0.252 -2.251 294 HD13 ILE 65 HD13 ILE 65 11.505 -1.117 -1.704 295 HA PRO 66 HA PRO 66 13.323 4.531 3.475 296 HB2 PRO 66 HB2 PRO 66 12.301 6.950 2.838 297 HB3 PRO 66 HB3 PRO 66 13.999 6.540 2.576 298 HG2 PRO 66 HG2 PRO 66 11.740 6.593 0.620 299 HG3 PRO 66 HG3 PRO 66 13.408 7.156 0.419 300 HD2 PRO 66 HD2 PRO 66 12.498 4.758 -0.527 301 HD3 PRO 66 HD3 PRO 66 14.187 5.056 -0.073 302 H LYS 67 HN LYS 67 11.563 5.538 4.833 303 HA LYS 67 HA LYS 67 9.151 4.020 4.517 304 HB2 LYS 67 HB2 LYS 67 10.005 6.065 6.561 305 HB3 LYS 67 HB3 LYS 67 8.460 5.228 6.621 306 HG2 LYS 67 HG2 LYS 67 9.651 3.081 6.747 307 HG3 LYS 67 HG3 LYS 67 11.184 3.954 6.755 308 HD2 LYS 67 HD2 LYS 67 10.536 5.082 8.825 309 HD3 LYS 67 HD3 LYS 67 8.992 4.227 8.812 310 HE2 LYS 67 HE2 LYS 67 10.157 2.095 9.008 311 HE3 LYS 67 HE3 LYS 67 11.711 2.928 8.973 312 HZ1 LYS 67 HZ1 LYS 67 9.625 3.246 11.065 313 HZ2 LYS 67 HZ2 LYS 67 11.115 4.046 11.033 314 HZ3 LYS 67 HZ3 LYS 67 11.062 2.367 11.228 315 H ASP 68 HN ASP 68 10.037 7.421 4.113 316 HA ASP 68 HA ASP 68 7.350 8.335 3.748 317 HB2 ASP 68 HB2 ASP 68 9.232 9.787 4.510 318 HB3 ASP 68 HB3 ASP 68 9.920 9.677 2.892 319 HA PRO 69 HA PRO 69 7.007 6.910 -0.501 320 HB2 PRO 69 HB2 PRO 69 4.521 7.868 -0.955 321 HB3 PRO 69 HB3 PRO 69 4.818 6.448 0.052 322 HG2 PRO 69 HG2 PRO 69 4.239 9.263 0.869 323 HG3 PRO 69 HG3 PRO 69 3.638 7.747 1.561 324 HD2 PRO 69 HD2 PRO 69 5.684 9.209 2.644 325 HD3 PRO 69 HD3 PRO 69 5.504 7.458 2.856 326 H ARG 70 HN ARG 70 6.357 10.301 0.453 327 HA ARG 70 HA ARG 70 6.316 11.360 -2.162 328 HB2 ARG 70 HB2 ARG 70 7.259 12.786 0.333 329 HB3 ARG 70 HB3 ARG 70 6.662 13.527 -1.143 330 HG2 ARG 70 HG2 ARG 70 4.670 13.600 -0.173 331 HG3 ARG 70 HG3 ARG 70 4.603 11.846 -0.360 332 HD2 ARG 70 HD2 ARG 70 4.182 12.168 1.909 333 HD3 ARG 70 HD3 ARG 70 5.896 11.767 1.860 334 HE ARG 70 HE ARG 70 5.888 14.474 1.743 335 HH11 ARG 70 HH11 ARG 70 4.436 12.164 3.933 336 HH12 ARG 70 HH12 ARG 70 4.487 13.235 5.291 337 HH21 ARG 70 HH21 ARG 70 5.948 15.882 3.536 338 HH22 ARG 70 HH22 ARG 70 5.347 15.344 5.068 339 H GLN 71 HN GLN 71 8.934 10.434 -0.051 340 HA GLN 71 HA GLN 71 10.929 11.568 -1.859 341 HB2 GLN 71 HB2 GLN 71 11.183 10.234 0.836 342 HB3 GLN 71 HB3 GLN 71 12.550 10.802 -0.113 343 HG2 GLN 71 HG2 GLN 71 11.789 13.074 0.053 344 HG3 GLN 71 HG3 GLN 71 10.309 12.558 0.860 345 HE21 GLN 71 HE21 GLN 71 10.396 11.884 3.006 346 HE22 GLN 71 HE22 GLN 71 11.752 12.223 4.021 347 H TRP 72 HN TRP 72 9.383 9.501 -2.945 348 HA TRP 72 HA TRP 72 11.278 7.236 -3.039 349 HB2 TRP 72 HB2 TRP 72 8.308 7.447 -3.321 350 HB3 TRP 72 HB3 TRP 72 9.134 6.214 -4.254 351 HD1 TRP 72 HD1 TRP 72 10.763 6.749 -0.942 352 HE1 TRP 72 HE1 TRP 72 10.121 4.838 0.657 353 HE3 TRP 72 HE3 TRP 72 7.000 4.645 -3.675 354 HZ2 TRP 72 HZ2 TRP 72 8.256 2.717 0.746 355 HZ3 TRP 72 HZ3 TRP 72 5.836 2.679 -2.767 356 HH2 TRP 72 HH2 TRP 72 6.454 1.737 -0.605 357 H THR 73 HN THR 73 11.288 6.121 -5.254 358 HA THR 73 HA THR 73 10.939 8.039 -7.397 359 HB THR 73 HB THR 73 12.975 7.367 -8.503 360 HG1 THR 73 HG1 THR 73 13.707 5.427 -8.101 361 HG21 THR 73 HG21 THR 73 13.587 7.767 -5.573 362 HG22 THR 73 HG22 THR 73 13.192 9.061 -6.705 363 HG23 THR 73 HG23 THR 73 14.658 8.107 -6.933 364 H GLU 74 HN GLU 74 11.340 6.651 -9.637 365 HA GLU 74 HA GLU 74 9.049 5.129 -9.961 366 HB2 GLU 74 HB2 GLU 74 11.619 4.959 -11.545 367 HB3 GLU 74 HB3 GLU 74 10.069 4.311 -12.061 368 HG2 GLU 74 HG2 GLU 74 9.137 6.592 -12.012 369 HG3 GLU 74 HG3 GLU 74 10.733 7.208 -11.589 370 H THR 75 HN THR 75 12.316 4.055 -9.124 371 HA THR 75 HA THR 75 11.807 1.288 -9.322 372 HB THR 75 HB THR 75 13.861 2.649 -7.564 373 HG1 THR 75 HG1 THR 75 14.704 3.202 -9.424 374 HG21 THR 75 HG21 THR 75 15.116 0.533 -7.875 375 HG22 THR 75 HG22 THR 75 13.711 -0.147 -8.700 376 HG23 THR 75 HG23 THR 75 13.602 0.308 -6.999 377 H HIS 76 HN HIS 76 11.835 3.469 -6.490 378 HA HIS 76 HA HIS 76 11.175 1.524 -4.570 379 HB2 HIS 76 HB2 HIS 76 10.539 4.482 -4.508 380 HB3 HIS 76 HB3 HIS 76 10.508 3.399 -3.121 381 HD1 HIS 76 HD1 HIS 76 12.296 5.710 -2.777 382 HD2 HIS 76 HD2 HIS 76 13.582 2.251 -4.685 383 HE1 HIS 76 HE1 HIS 76 14.803 5.754 -2.625 384 HE2 HIS 76 HE2 HIS 76 15.555 3.598 -3.692 385 H VAL 77 HN VAL 77 9.124 3.654 -6.515 386 HA VAL 77 HA VAL 77 6.630 3.032 -5.369 387 HB VAL 77 HB VAL 77 7.376 3.906 -8.171 388 HG11 VAL 77 HG11 VAL 77 5.271 2.707 -8.321 389 HG12 VAL 77 HG12 VAL 77 4.982 4.441 -8.471 390 HG13 VAL 77 HG13 VAL 77 4.627 3.616 -6.953 391 HG21 VAL 77 HG21 VAL 77 7.833 5.535 -6.441 392 HG22 VAL 77 HG22 VAL 77 6.205 5.343 -5.791 393 HG23 VAL 77 HG23 VAL 77 6.438 6.054 -7.389 394 H ARG 78 HN ARG 78 8.253 1.680 -8.259 395 HA ARG 78 HA ARG 78 6.274 -0.288 -8.817 396 HB2 ARG 78 HB2 ARG 78 7.831 0.589 -10.508 397 HB3 ARG 78 HB3 ARG 78 9.181 -0.142 -9.655 398 HG2 ARG 78 HG2 ARG 78 8.240 -2.362 -10.079 399 HG3 ARG 78 HG3 ARG 78 6.899 -1.617 -10.952 400 HD2 ARG 78 HD2 ARG 78 9.804 -1.309 -11.688 401 HD3 ARG 78 HD3 ARG 78 8.705 -2.470 -12.430 402 HE ARG 78 HE ARG 78 7.570 -0.703 -13.479 403 HH11 ARG 78 HH11 ARG 78 10.269 0.462 -11.563 404 HH12 ARG 78 HH12 ARG 78 10.296 2.013 -12.329 405 HH21 ARG 78 HH21 ARG 78 7.616 1.344 -14.473 406 HH22 ARG 78 HH22 ARG 78 8.792 2.514 -13.978 407 H ASP 79 HN ASP 79 9.458 -0.503 -7.182 408 HA ASP 79 HA ASP 79 9.382 -3.268 -6.775 409 HB2 ASP 79 HB2 ASP 79 11.424 -1.930 -6.430 410 HB3 ASP 79 HB3 ASP 79 10.701 -1.172 -5.014 411 H TRP 80 HN TRP 80 8.101 -0.612 -4.800 412 HA TRP 80 HA TRP 80 7.303 -2.205 -2.622 413 HB2 TRP 80 HB2 TRP 80 7.284 0.077 -2.110 414 HB3 TRP 80 HB3 TRP 80 6.467 0.506 -3.609 415 HD1 TRP 80 HD1 TRP 80 5.595 -1.362 -0.309 416 HE1 TRP 80 HE1 TRP 80 3.141 -0.843 0.258 417 HE3 TRP 80 HE3 TRP 80 4.399 1.471 -4.393 418 HZ2 TRP 80 HZ2 TRP 80 0.981 0.576 -0.876 419 HZ3 TRP 80 HZ3 TRP 80 2.117 2.372 -4.574 420 HH2 TRP 80 HH2 TRP 80 0.446 1.932 -2.853 421 H VAL 81 HN VAL 81 5.205 -0.764 -5.139 422 HA VAL 81 HA VAL 81 2.901 -2.099 -4.851 423 HB VAL 81 HB VAL 81 4.319 -1.589 -7.475 424 HG11 VAL 81 HG11 VAL 81 1.425 -2.305 -7.000 425 HG12 VAL 81 HG12 VAL 81 2.628 -3.306 -7.814 426 HG13 VAL 81 HG13 VAL 81 2.113 -1.782 -8.538 427 HG21 VAL 81 HG21 VAL 81 2.113 -0.055 -6.110 428 HG22 VAL 81 HG22 VAL 81 2.944 0.385 -7.603 429 HG23 VAL 81 HG23 VAL 81 3.818 0.385 -6.073 430 H MET 82 HN MET 82 5.707 -3.411 -6.622 431 HA MET 82 HA MET 82 4.674 -5.892 -7.322 432 HB2 MET 82 HB2 MET 82 6.835 -4.944 -8.117 433 HB3 MET 82 HB3 MET 82 7.530 -5.274 -6.537 434 HG2 MET 82 HG2 MET 82 8.218 -7.008 -7.992 435 HG3 MET 82 HG3 MET 82 7.014 -7.688 -6.900 436 HE1 MET 82 HE1 MET 82 6.226 -6.604 -11.317 437 HE2 MET 82 HE2 MET 82 7.813 -6.521 -10.552 438 HE3 MET 82 HE3 MET 82 6.542 -5.395 -10.073 439 H TRP 83 HN TRP 83 6.549 -5.012 -4.425 440 HA TRP 83 HA TRP 83 6.594 -7.482 -3.158 441 HB2 TRP 83 HB2 TRP 83 7.980 -5.797 -2.268 442 HB3 TRP 83 HB3 TRP 83 6.651 -4.655 -2.116 443 HD1 TRP 83 HD1 TRP 83 8.279 -7.612 -0.326 444 HE1 TRP 83 HE1 TRP 83 7.361 -7.727 2.075 445 HE3 TRP 83 HE3 TRP 83 4.608 -4.073 -0.689 446 HZ2 TRP 83 HZ2 TRP 83 5.343 -6.484 3.610 447 HZ3 TRP 83 HZ3 TRP 83 3.228 -3.596 1.289 448 HH2 TRP 83 HH2 TRP 83 3.588 -4.778 3.395 449 H ALA 84 HN ALA 84 4.072 -4.986 -3.109 450 HA ALA 84 HA ALA 84 2.476 -6.276 -1.115 451 HB1 ALA 84 HB1 ALA 84 0.741 -4.677 -1.736 452 HB2 ALA 84 HB2 ALA 84 1.654 -4.219 -3.174 453 HB3 ALA 84 HB3 ALA 84 2.299 -3.866 -1.571 454 H VAL 85 HN VAL 85 2.275 -6.032 -4.649 455 HA VAL 85 HA VAL 85 0.045 -7.569 -5.144 456 HB VAL 85 HB VAL 85 2.579 -7.357 -6.773 457 HG11 VAL 85 HG11 VAL 85 -0.090 -8.550 -7.506 458 HG12 VAL 85 HG12 VAL 85 1.479 -9.354 -7.494 459 HG13 VAL 85 HG13 VAL 85 1.144 -8.095 -8.681 460 HG21 VAL 85 HG21 VAL 85 -0.093 -6.003 -7.119 461 HG22 VAL 85 HG22 VAL 85 1.374 -5.713 -8.054 462 HG23 VAL 85 HG23 VAL 85 1.309 -5.265 -6.351 463 H ASN 86 HN ASN 86 3.265 -8.644 -4.237 464 HA ASN 86 HA ASN 86 2.743 -11.418 -4.844 465 HB2 ASN 86 HB2 ASN 86 5.032 -10.092 -3.374 466 HB3 ASN 86 HB3 ASN 86 4.961 -11.805 -3.775 467 HD21 ASN 86 HD21 ASN 86 6.859 -9.708 -4.591 468 HD22 ASN 86 HD22 ASN 86 6.850 -9.723 -6.319 469 H GLU 87 HN GLU 87 3.091 -9.459 -1.883 470 HA GLU 87 HA GLU 87 2.646 -11.594 -0.070 471 HB2 GLU 87 HB2 GLU 87 2.270 -8.614 0.293 472 HB3 GLU 87 HB3 GLU 87 2.231 -9.793 1.596 473 HG2 GLU 87 HG2 GLU 87 4.593 -9.255 -0.192 474 HG3 GLU 87 HG3 GLU 87 4.378 -8.622 1.438 475 H PHE 88 HN PHE 88 0.478 -9.428 -1.783 476 HA PHE 88 HA PHE 88 -1.823 -10.569 -0.357 477 HB2 PHE 88 HB2 PHE 88 -1.545 -8.069 -2.024 478 HB3 PHE 88 HB3 PHE 88 -3.089 -8.673 -1.436 479 HD1 PHE 88 HD2 PHE 88 0.070 -7.084 -0.514 480 HD2 PHE 88 HD1 PHE 88 -3.666 -8.545 0.907 481 HE1 PHE 88 HE2 PHE 88 0.404 -5.872 1.599 482 HE2 PHE 88 HE1 PHE 88 -3.340 -7.334 3.022 483 HZ PHE 88 HZ PHE 88 -1.302 -5.995 3.370 484 H SER 89 HN SER 89 -0.106 -11.296 -3.042 485 HA SER 89 HA SER 89 -0.536 -12.168 -5.113 486 HB2 SER 89 HB2 SER 89 -2.783 -13.407 -3.502 487 HB3 SER 89 HB3 SER 89 -2.220 -13.993 -5.067 488 HG SER 89 HG SER 89 -0.556 -14.882 -4.129 489 H LEU 90 HN LEU 90 -1.233 -9.748 -5.475 490 HA LEU 90 HA LEU 90 -4.039 -9.453 -6.077 491 HB2 LEU 90 HB2 LEU 90 -1.767 -7.515 -6.503 492 HB3 LEU 90 HB3 LEU 90 -3.473 -7.138 -6.631 493 HG LEU 90 HG LEU 90 -2.018 -7.937 -4.109 494 HD11 LEU 90 HD11 LEU 90 -3.299 -5.310 -4.835 495 HD12 LEU 90 HD12 LEU 90 -1.571 -5.642 -4.957 496 HD13 LEU 90 HD13 LEU 90 -2.368 -5.685 -3.384 497 HD21 LEU 90 HD21 LEU 90 -4.898 -7.113 -4.449 498 HD22 LEU 90 HD22 LEU 90 -4.092 -7.575 -2.950 499 HD23 LEU 90 HD23 LEU 90 -4.349 -8.772 -4.217 500 H LYS 91 HN LYS 91 -4.860 -8.853 -8.155 501 HA LYS 91 HA LYS 91 -3.128 -9.537 -10.426 502 HB2 LYS 91 HB2 LYS 91 -5.318 -10.589 -11.413 503 HB3 LYS 91 HB3 LYS 91 -4.277 -11.524 -10.352 504 HG2 LYS 91 HG2 LYS 91 -6.577 -11.881 -9.756 505 HG3 LYS 91 HG3 LYS 91 -5.767 -10.998 -8.463 506 HD2 LYS 91 HD2 LYS 91 -6.761 -8.926 -9.191 507 HD3 LYS 91 HD3 LYS 91 -7.463 -9.716 -10.604 508 HE2 LYS 91 HE2 LYS 91 -8.115 -10.414 -7.743 509 HE3 LYS 91 HE3 LYS 91 -9.079 -9.336 -8.752 510 HZ1 LYS 91 HZ1 LYS 91 -9.458 -11.168 -10.284 511 HZ2 LYS 91 HZ2 LYS 91 -9.985 -11.574 -8.730 512 HZ3 LYS 91 HZ3 LYS 91 -8.529 -12.202 -9.318 513 H GLY 92 HN GLY 92 -3.799 -8.702 -12.476 514 HA2 GLY 92 HA2 GLY 92 -4.847 -7.204 -13.905 515 HA3 GLY 92 HA1 GLY 92 -5.956 -6.789 -12.611 516 H VAL 93 HN VAL 93 -3.082 -6.413 -11.140 517 HA VAL 93 HA VAL 93 -3.167 -3.565 -11.376 518 HB VAL 93 HB VAL 93 -2.604 -4.702 -9.248 519 HG11 VAL 93 HG11 VAL 93 0.073 -5.288 -10.497 520 HG12 VAL 93 HG12 VAL 93 -1.205 -6.486 -10.301 521 HG13 VAL 93 HG13 VAL 93 -0.487 -5.727 -8.884 522 HG21 VAL 93 HG21 VAL 93 -2.002 -2.376 -9.542 523 HG22 VAL 93 HG22 VAL 93 -0.491 -2.838 -10.325 524 HG23 VAL 93 HG23 VAL 93 -0.748 -3.205 -8.620 525 H ASP 94 HN ASP 94 -1.966 -2.239 -12.586 526 HA ASP 94 HA ASP 94 0.030 -3.466 -14.353 527 HB2 ASP 94 HB2 ASP 94 -1.529 -0.888 -14.622 528 HB3 ASP 94 HB3 ASP 94 -0.325 -1.456 -15.772 529 H PHE 95 HN PHE 95 2.109 -2.888 -14.290 530 HA PHE 95 HA PHE 95 2.954 -0.989 -12.247 531 HB2 PHE 95 HB2 PHE 95 4.504 -2.911 -14.003 532 HB3 PHE 95 HB3 PHE 95 5.265 -1.801 -12.864 533 HD1 PHE 95 HD2 PHE 95 5.039 -2.128 -10.469 534 HD2 PHE 95 HD1 PHE 95 3.286 -4.844 -13.236 535 HE1 PHE 95 HE2 PHE 95 4.718 -3.760 -8.658 536 HE2 PHE 95 HE1 PHE 95 2.959 -6.480 -11.428 537 HZ PHE 95 HZ PHE 95 3.676 -5.938 -9.135 538 H GLN 96 HN GLN 96 2.651 -1.190 -15.708 539 HA GLN 96 HA GLN 96 4.376 0.904 -16.463 540 HB2 GLN 96 HB2 GLN 96 3.228 -0.718 -18.011 541 HB3 GLN 96 HB3 GLN 96 1.736 0.174 -17.748 542 HG2 GLN 96 HG2 GLN 96 2.743 0.849 -19.824 543 HG3 GLN 96 HG3 GLN 96 2.793 2.184 -18.674 544 HE21 GLN 96 HE21 GLN 96 4.775 2.850 -17.836 545 HE22 GLN 96 HE22 GLN 96 6.278 2.368 -18.536 546 H LYS 97 HN LYS 97 1.114 0.829 -15.172 547 HA LYS 97 HA LYS 97 0.417 3.553 -15.547 548 HB2 LYS 97 HB2 LYS 97 -0.515 1.572 -13.456 549 HB3 LYS 97 HB3 LYS 97 -1.288 3.105 -13.830 550 HG2 LYS 97 HG2 LYS 97 -0.991 0.785 -15.727 551 HG3 LYS 97 HG3 LYS 97 -2.457 1.220 -14.848 552 HD2 LYS 97 HD2 LYS 97 -2.432 3.420 -15.994 553 HD3 LYS 97 HD3 LYS 97 -1.040 2.876 -16.934 554 HE2 LYS 97 HE2 LYS 97 -2.371 1.054 -17.864 555 HE3 LYS 97 HE3 LYS 97 -3.759 1.569 -16.907 556 HZ1 LYS 97 HZ1 LYS 97 -3.905 2.360 -19.185 557 HZ2 LYS 97 HZ2 LYS 97 -2.432 3.177 -19.024 558 HZ3 LYS 97 HZ3 LYS 97 -3.771 3.663 -18.112 559 H PHE 98 HN PHE 98 2.178 1.817 -13.020 560 HA PHE 98 HA PHE 98 2.421 4.268 -11.436 561 HB2 PHE 98 HB2 PHE 98 3.206 1.416 -10.795 562 HB3 PHE 98 HB3 PHE 98 3.411 2.783 -9.706 563 HD1 PHE 98 HD1 PHE 98 0.966 4.243 -9.842 564 HD2 PHE 98 HD2 PHE 98 1.563 0.031 -9.993 565 HE1 PHE 98 HE1 PHE 98 -1.305 3.894 -8.967 566 HE2 PHE 98 HE2 PHE 98 -0.710 -0.325 -9.122 567 HZ PHE 98 HZ PHE 98 -2.146 1.609 -8.607 568 H CYS 99 HN CYS 99 3.830 4.026 -13.982 569 HA CYS 99 HA CYS 99 6.609 3.573 -13.288 570 HB2 CYS 99 HB2 CYS 99 5.733 2.914 -15.512 571 HB3 CYS 99 HB3 CYS 99 5.389 4.602 -15.867 572 HG CYS 99 HG CYS 99 7.714 3.622 -17.229 573 H MET 100 HN MET 100 6.230 5.311 -11.563 574 HA MET 100 HA MET 100 7.521 7.731 -12.458 575 HB2 MET 100 HB2 MET 100 5.841 9.294 -11.839 576 HB3 MET 100 HB3 MET 100 5.028 8.101 -12.842 577 HG2 MET 100 HG2 MET 100 4.350 6.970 -10.665 578 HG3 MET 100 HG3 MET 100 4.876 8.451 -9.868 579 HE1 MET 100 HE1 MET 100 1.262 7.977 -12.669 580 HE2 MET 100 HE2 MET 100 2.164 6.662 -11.915 581 HE3 MET 100 HE3 MET 100 2.900 7.610 -13.209 582 H SER 101 HN SER 101 7.849 9.249 -10.532 583 HA SER 101 HA SER 101 8.939 7.688 -8.371 584 HB2 SER 101 HB2 SER 101 8.778 10.689 -8.817 585 HB3 SER 101 HB3 SER 101 9.622 9.932 -7.467 586 HG SER 101 HG SER 101 10.256 9.927 -10.200 587 H GLY 102 HN GLY 102 8.535 8.205 -6.088 588 HA2 GLY 102 HA2 GLY 102 5.869 7.786 -5.372 589 HA3 GLY 102 HA1 GLY 102 7.144 8.278 -4.272 590 H ALA 103 HN ALA 103 7.739 10.797 -5.493 591 HA ALA 103 HA ALA 103 5.961 12.491 -4.179 592 HB1 ALA 103 HB1 ALA 103 8.235 13.134 -4.867 593 HB2 ALA 103 HB2 ALA 103 7.026 14.310 -5.382 594 HB3 ALA 103 HB3 ALA 103 7.702 13.175 -6.548 595 H ALA 104 HN ALA 104 5.996 11.368 -7.530 596 HA ALA 104 HA ALA 104 3.819 13.016 -8.400 597 HB1 ALA 104 HB1 ALA 104 3.839 11.565 -10.400 598 HB2 ALA 104 HB2 ALA 104 5.024 10.524 -9.612 599 HB3 ALA 104 HB3 ALA 104 5.438 12.193 -10.002 600 H LEU 105 HN LEU 105 4.167 9.618 -7.413 601 HA LEU 105 HA LEU 105 1.567 8.731 -7.856 602 HB2 LEU 105 HB2 LEU 105 3.670 7.425 -7.175 603 HB3 LEU 105 HB3 LEU 105 3.255 7.853 -5.527 604 HG LEU 105 HG LEU 105 1.039 6.730 -5.875 605 HD11 LEU 105 HD11 LEU 105 0.877 5.132 -7.740 606 HD12 LEU 105 HD12 LEU 105 2.368 5.793 -8.413 607 HD13 LEU 105 HD13 LEU 105 0.930 6.808 -8.289 608 HD21 LEU 105 HD21 LEU 105 2.874 5.638 -4.692 609 HD22 LEU 105 HD22 LEU 105 3.506 5.030 -6.222 610 HD23 LEU 105 HD23 LEU 105 1.942 4.471 -5.630 611 H CYS 106 HN CYS 106 2.949 10.210 -4.918 612 HA CYS 106 HA CYS 106 0.558 10.098 -3.405 613 HB2 CYS 106 HB2 CYS 106 2.990 11.876 -3.140 614 HB3 CYS 106 HB3 CYS 106 1.683 11.822 -1.964 615 HG CYS 106 HG CYS 106 4.026 9.451 -2.641 616 H ALA 107 HN ALA 107 1.948 12.544 -5.538 617 HA ALA 107 HA ALA 107 0.107 14.620 -4.997 618 HB1 ALA 107 HB1 ALA 107 1.699 14.095 -7.505 619 HB2 ALA 107 HB2 ALA 107 2.237 15.025 -6.106 620 HB3 ALA 107 HB3 ALA 107 0.896 15.610 -7.091 621 H LEU 108 HN LEU 108 -0.072 11.793 -7.042 622 HA LEU 108 HA LEU 108 -2.175 12.608 -8.728 623 HB2 LEU 108 HB2 LEU 108 -1.154 9.918 -7.881 624 HB3 LEU 108 HB3 LEU 108 -2.527 10.079 -8.955 625 HG LEU 108 HG LEU 108 0.233 11.166 -9.514 626 HD11 LEU 108 HD11 LEU 108 0.214 8.735 -9.530 627 HD12 LEU 108 HD12 LEU 108 0.377 9.371 -11.167 628 HD13 LEU 108 HD13 LEU 108 -1.176 8.740 -10.616 629 HD21 LEU 108 HD21 LEU 108 -2.216 10.980 -11.265 630 HD22 LEU 108 HD22 LEU 108 -0.623 11.547 -11.768 631 HD23 LEU 108 HD23 LEU 108 -1.548 12.460 -10.576 632 H GLY 109 HN GLY 109 -2.144 11.234 -5.493 633 HA2 GLY 109 HA2 GLY 109 -3.843 11.209 -3.925 634 HA3 GLY 109 HA1 GLY 109 -4.922 11.894 -5.130 635 H LYS 110 HN LYS 110 -6.066 10.090 -3.602 636 HA LYS 110 HA LYS 110 -5.779 7.386 -4.317 637 HB2 LYS 110 HB2 LYS 110 -6.955 8.079 -2.293 638 HB3 LYS 110 HB3 LYS 110 -8.213 8.835 -3.260 639 HG2 LYS 110 HG2 LYS 110 -9.050 6.778 -3.991 640 HG3 LYS 110 HG3 LYS 110 -7.599 5.910 -3.490 641 HD2 LYS 110 HD2 LYS 110 -9.388 5.447 -1.939 642 HD3 LYS 110 HD3 LYS 110 -8.154 6.418 -1.136 643 HE2 LYS 110 HE2 LYS 110 -10.374 7.877 -2.446 644 HE3 LYS 110 HE3 LYS 110 -10.768 6.967 -0.991 645 HZ1 LYS 110 HZ1 LYS 110 -9.027 8.171 0.185 646 HZ2 LYS 110 HZ2 LYS 110 -10.171 9.237 -0.460 647 HZ3 LYS 110 HZ3 LYS 110 -8.668 9.056 -1.212 648 H GLU 111 HN GLU 111 -7.888 9.928 -5.628 649 HA GLU 111 HA GLU 111 -9.483 8.418 -7.337 650 HB2 GLU 111 HB2 GLU 111 -9.934 10.751 -6.983 651 HB3 GLU 111 HB3 GLU 111 -8.373 11.215 -7.641 652 HG2 GLU 111 HG2 GLU 111 -10.171 11.665 -9.209 653 HG3 GLU 111 HG3 GLU 111 -9.051 10.461 -9.843 654 H CYS 112 HN CYS 112 -6.527 10.186 -8.348 655 HA CYS 112 HA CYS 112 -6.380 8.981 -10.875 656 HB2 CYS 112 HB2 CYS 112 -4.254 10.289 -9.186 657 HB3 CYS 112 HB3 CYS 112 -3.992 9.778 -10.849 658 HG CYS 112 HG CYS 112 -6.462 11.984 -10.019 659 H PHE 113 HN PHE 113 -4.973 8.020 -7.763 660 HA PHE 113 HA PHE 113 -3.275 6.001 -8.745 661 HB2 PHE 113 HB2 PHE 113 -3.183 6.977 -6.444 662 HB3 PHE 113 HB3 PHE 113 -4.651 6.088 -6.051 663 HD1 PHE 113 HD1 PHE 113 -1.071 5.843 -6.717 664 HD2 PHE 113 HD2 PHE 113 -4.611 3.691 -5.755 665 HE1 PHE 113 HE1 PHE 113 0.290 3.892 -6.089 666 HE2 PHE 113 HE2 PHE 113 -3.257 1.736 -5.127 667 HZ PHE 113 HZ PHE 113 -0.802 1.837 -5.294 668 H LEU 114 HN LEU 114 -6.638 5.892 -7.577 669 HA LEU 114 HA LEU 114 -6.977 3.107 -7.892 670 HB2 LEU 114 HB2 LEU 114 -8.940 5.387 -7.780 671 HB3 LEU 114 HB3 LEU 114 -9.456 3.719 -7.950 672 HG LEU 114 HG LEU 114 -7.843 4.796 -5.634 673 HD11 LEU 114 HD11 LEU 114 -9.887 4.594 -4.341 674 HD12 LEU 114 HD12 LEU 114 -10.765 4.068 -5.777 675 HD13 LEU 114 HD13 LEU 114 -10.118 5.705 -5.690 676 HD21 LEU 114 HD21 LEU 114 -9.152 2.116 -6.080 677 HD22 LEU 114 HD22 LEU 114 -8.381 2.644 -4.584 678 HD23 LEU 114 HD23 LEU 114 -7.418 2.440 -6.048 679 H GLU 115 HN GLU 115 -7.093 5.758 -10.141 680 HA GLU 115 HA GLU 115 -8.449 4.336 -12.225 681 HB2 GLU 115 HB2 GLU 115 -6.765 6.843 -12.224 682 HB3 GLU 115 HB3 GLU 115 -7.534 6.203 -13.670 683 HG2 GLU 115 HG2 GLU 115 -9.713 6.506 -12.714 684 HG3 GLU 115 HG3 GLU 115 -9.013 6.982 -11.169 685 H LEU 116 HN LEU 116 -5.204 4.426 -11.043 686 HA LEU 116 HA LEU 116 -4.014 3.391 -13.479 687 HB2 LEU 116 HB2 LEU 116 -2.845 3.818 -10.728 688 HB3 LEU 116 HB3 LEU 116 -1.934 3.339 -12.144 689 HG LEU 116 HG LEU 116 -3.437 5.945 -11.928 690 HD11 LEU 116 HD11 LEU 116 -1.257 6.983 -11.555 691 HD12 LEU 116 HD12 LEU 116 -0.506 5.388 -11.495 692 HD13 LEU 116 HD13 LEU 116 -1.668 5.863 -10.256 693 HD21 LEU 116 HD21 LEU 116 -3.065 5.175 -14.211 694 HD22 LEU 116 HD22 LEU 116 -1.346 4.982 -13.873 695 HD23 LEU 116 HD23 LEU 116 -2.074 6.587 -13.849 696 H ALA 117 HN ALA 117 -5.036 2.199 -10.324 697 HA ALA 117 HA ALA 117 -4.249 -0.526 -11.141 698 HB1 ALA 117 HB1 ALA 117 -4.394 0.694 -8.397 699 HB2 ALA 117 HB2 ALA 117 -2.980 0.048 -9.229 700 HB3 ALA 117 HB3 ALA 117 -4.252 -1.040 -8.679 701 HA PRO 118 HA PRO 118 -8.334 -2.161 -11.301 702 HB2 PRO 118 HB2 PRO 118 -7.425 -4.000 -9.135 703 HB3 PRO 118 HB3 PRO 118 -8.253 -4.368 -10.650 704 HG2 PRO 118 HG2 PRO 118 -5.610 -4.756 -10.321 705 HG3 PRO 118 HG3 PRO 118 -6.320 -4.308 -11.879 706 HD2 PRO 118 HD2 PRO 118 -4.643 -2.718 -10.063 707 HD3 PRO 118 HD3 PRO 118 -4.982 -2.479 -11.785 708 H ASP 119 HN ASP 119 -10.246 -2.526 -10.088 709 HA ASP 119 HA ASP 119 -10.864 -0.576 -8.190 710 HB2 ASP 119 HB2 ASP 119 -13.020 -1.642 -8.023 711 HB3 ASP 119 HB3 ASP 119 -12.498 -1.605 -9.703 712 H PHE 120 HN PHE 120 -9.473 -3.696 -7.686 713 HA PHE 120 HA PHE 120 -10.217 -3.491 -4.868 714 HB2 PHE 120 HB2 PHE 120 -9.459 -5.952 -6.441 715 HB3 PHE 120 HB3 PHE 120 -9.581 -5.953 -4.685 716 HD1 PHE 120 HD1 PHE 120 -11.959 -4.384 -4.162 717 HD2 PHE 120 HD2 PHE 120 -11.203 -7.207 -7.255 718 HE1 PHE 120 HE1 PHE 120 -14.368 -4.849 -4.321 719 HE2 PHE 120 HE2 PHE 120 -13.613 -7.675 -7.422 720 HZ PHE 120 HZ PHE 120 -15.198 -6.496 -5.953 721 H VAL 121 HN VAL 121 -7.454 -4.490 -6.889 722 HA VAL 121 HA VAL 121 -5.569 -4.598 -4.806 723 HB VAL 121 HB VAL 121 -3.865 -4.688 -6.440 724 HG11 VAL 121 HG11 VAL 121 -4.653 -6.343 -8.007 725 HG12 VAL 121 HG12 VAL 121 -6.321 -5.831 -7.760 726 HG13 VAL 121 HG13 VAL 121 -5.430 -6.597 -6.445 727 HG21 VAL 121 HG21 VAL 121 -5.797 -3.303 -8.274 728 HG22 VAL 121 HG22 VAL 121 -4.318 -4.081 -8.835 729 HG23 VAL 121 HG23 VAL 121 -4.229 -2.728 -7.707 730 H GLY 122 HN GLY 122 -6.629 -1.904 -6.843 731 HA2 GLY 122 HA2 GLY 122 -4.674 -0.023 -6.199 732 HA3 GLY 122 HA1 GLY 122 -6.331 0.361 -6.635 733 H ASP 123 HN ASP 123 -7.560 -0.973 -4.394 734 HA ASP 123 HA ASP 123 -7.537 1.107 -2.503 735 HB2 ASP 123 HB2 ASP 123 -9.451 -0.427 -2.839 736 HB3 ASP 123 HB3 ASP 123 -8.506 -1.736 -2.136 737 H ILE 124 HN ILE 124 -6.157 -2.174 -2.350 738 HA ILE 124 HA ILE 124 -5.061 -2.052 0.206 739 HB ILE 124 HB ILE 124 -3.929 -3.517 -2.178 740 HG12 ILE 124 HG12 ILE 124 -5.890 -4.451 -0.072 741 HG13 ILE 124 HG13 ILE 124 -6.290 -4.074 -1.745 742 HG21 ILE 124 HG21 ILE 124 -3.527 -3.947 0.779 743 HG22 ILE 124 HG22 ILE 124 -2.324 -3.374 -0.376 744 HG23 ILE 124 HG23 ILE 124 -2.943 -5.020 -0.495 745 HD11 ILE 124 HD11 ILE 124 -4.492 -6.282 -0.787 746 HD12 ILE 124 HD12 ILE 124 -4.793 -5.875 -2.476 747 HD13 ILE 124 HD13 ILE 124 -6.114 -6.452 -1.460 748 H LEU 125 HN LEU 125 -3.415 -1.457 -2.892 749 HA LEU 125 HA LEU 125 -0.934 -0.719 -1.887 750 HB2 LEU 125 HB2 LEU 125 -2.322 0.349 -4.364 751 HB3 LEU 125 HB3 LEU 125 -0.607 0.481 -4.029 752 HG LEU 125 HG LEU 125 -2.059 -2.143 -4.355 753 HD11 LEU 125 HD11 LEU 125 -0.406 -0.611 -6.356 754 HD12 LEU 125 HD12 LEU 125 -2.145 -0.893 -6.436 755 HD13 LEU 125 HD13 LEU 125 -1.025 -2.248 -6.570 756 HD21 LEU 125 HD21 LEU 125 0.213 -3.043 -4.619 757 HD22 LEU 125 HD22 LEU 125 -0.037 -2.318 -3.031 758 HD23 LEU 125 HD23 LEU 125 0.873 -1.446 -4.266 759 H TRP 126 HN TRP 126 -3.598 1.545 -2.811 760 HA TRP 126 HA TRP 126 -2.233 3.823 -1.783 761 HB2 TRP 126 HB2 TRP 126 -3.998 4.233 -3.360 762 HB3 TRP 126 HB3 TRP 126 -5.165 3.309 -2.421 763 HD1 TRP 126 HD1 TRP 126 -3.745 6.767 -2.816 764 HE1 TRP 126 HE1 TRP 126 -4.903 8.378 -1.179 765 HE3 TRP 126 HE3 TRP 126 -6.269 3.350 0.024 766 HZ2 TRP 126 HZ2 TRP 126 -6.660 8.219 1.027 767 HZ3 TRP 126 HZ3 TRP 126 -7.667 4.161 1.878 768 HH2 TRP 126 HH2 TRP 126 -7.856 6.544 2.369 769 H GLU 127 HN GLU 127 -4.200 1.387 -0.194 770 HA GLU 127 HA GLU 127 -4.848 2.839 2.140 771 HB2 GLU 127 HB2 GLU 127 -5.624 0.474 1.408 772 HB3 GLU 127 HB3 GLU 127 -4.146 -0.101 2.166 773 HG2 GLU 127 HG2 GLU 127 -5.921 -0.316 3.734 774 HG3 GLU 127 HG3 GLU 127 -4.872 0.995 4.273 775 H HIS 128 HN HIS 128 -2.103 0.630 1.501 776 HA HIS 128 HA HIS 128 -0.730 1.328 3.907 777 HB2 HIS 128 HB2 HIS 128 -0.463 -0.859 2.744 778 HB3 HIS 128 HB3 HIS 128 0.351 -0.025 1.426 779 HD1 HIS 128 HD1 HIS 128 2.350 -1.699 2.049 780 HD2 HIS 128 HD2 HIS 128 1.495 1.243 4.854 781 HE1 HIS 128 HE1 HIS 128 4.361 -1.600 3.550 782 HE2 HIS 128 HE2 HIS 128 3.766 0.094 5.316 783 H LEU 129 HN LEU 129 -0.594 2.364 0.548 784 HA LEU 129 HA LEU 129 1.769 3.858 0.593 785 HB2 LEU 129 HB2 LEU 129 0.446 3.263 -1.434 786 HB3 LEU 129 HB3 LEU 129 -0.749 4.452 -0.964 787 HG LEU 129 HG LEU 129 1.004 6.218 -1.167 788 HD11 LEU 129 HD11 LEU 129 2.975 4.831 -0.854 789 HD12 LEU 129 HD12 LEU 129 3.051 5.679 -2.398 790 HD13 LEU 129 HD13 LEU 129 2.625 3.968 -2.351 791 HD21 LEU 129 HD21 LEU 129 0.469 4.563 -3.630 792 HD22 LEU 129 HD22 LEU 129 0.987 6.249 -3.614 793 HD23 LEU 129 HD23 LEU 129 -0.589 5.804 -2.959 794 H GLU 130 HN GLU 130 -1.566 4.779 1.392 795 HA GLU 130 HA GLU 130 -0.985 7.479 1.917 796 HB2 GLU 130 HB2 GLU 130 -3.259 6.693 1.414 797 HB3 GLU 130 HB3 GLU 130 -3.276 5.794 2.924 798 HG2 GLU 130 HG2 GLU 130 -4.543 7.826 3.151 799 HG3 GLU 130 HG3 GLU 130 -3.103 7.897 4.166 800 H ILE 131 HN ILE 131 -0.927 4.574 3.844 801 HA ILE 131 HA ILE 131 -0.699 5.751 6.392 802 HB ILE 131 HB ILE 131 0.095 3.069 5.285 803 HG12 ILE 131 HG12 ILE 131 -1.907 3.754 7.434 804 HG13 ILE 131 HG13 ILE 131 -2.319 3.730 5.722 805 HG21 ILE 131 HG21 ILE 131 0.544 2.347 7.622 806 HG22 ILE 131 HG22 ILE 131 0.516 4.044 8.101 807 HG23 ILE 131 HG23 ILE 131 1.740 3.468 6.970 808 HD11 ILE 131 HD11 ILE 131 -2.980 1.657 6.685 809 HD12 ILE 131 HD12 ILE 131 -1.388 1.421 7.405 810 HD13 ILE 131 HD13 ILE 131 -1.581 1.355 5.654 811 H LEU 132 HN LEU 132 1.688 4.908 3.928 812 HA LEU 132 HA LEU 132 4.026 5.310 5.430 813 HB2 LEU 132 HB2 LEU 132 3.522 5.667 2.477 814 HB3 LEU 132 HB3 LEU 132 5.112 5.691 3.212 815 HG LEU 132 HG LEU 132 3.235 3.328 3.283 816 HD11 LEU 132 HD11 LEU 132 3.960 3.742 1.013 817 HD12 LEU 132 HD12 LEU 132 4.786 2.324 1.658 818 HD13 LEU 132 HD13 LEU 132 5.637 3.864 1.545 819 HD21 LEU 132 HD21 LEU 132 6.139 3.589 4.056 820 HD22 LEU 132 HD22 LEU 132 5.193 2.100 4.066 821 HD23 LEU 132 HD23 LEU 132 4.783 3.411 5.171 822 H GLN 133 HN GLN 133 2.346 7.566 3.222 823 HA GLN 133 HA GLN 133 4.002 9.779 3.675 824 HB2 GLN 133 HB2 GLN 133 2.097 11.138 2.823 825 HB3 GLN 133 HB3 GLN 133 2.599 9.820 1.779 826 HG2 GLN 133 HG2 GLN 133 0.705 8.484 2.777 827 HG3 GLN 133 HG3 GLN 133 0.151 9.993 3.499 828 HE21 GLN 133 HE21 GLN 133 0.581 8.208 0.550 829 HE22 GLN 133 HE22 GLN 133 -0.361 9.250 -0.455 830 H LYS 134 HN LYS 134 1.101 8.702 5.390 831 HA LYS 134 HA LYS 134 0.924 11.014 7.049 832 HB2 LYS 134 HB2 LYS 134 -0.276 8.257 7.308 833 HB3 LYS 134 HB3 LYS 134 -0.642 9.588 8.397 834 HG2 LYS 134 HG2 LYS 134 -1.048 9.778 5.428 835 HG3 LYS 134 HG3 LYS 134 -2.287 9.162 6.524 836 HD2 LYS 134 HD2 LYS 134 -2.258 11.273 7.755 837 HD3 LYS 134 HD3 LYS 134 -0.993 11.886 6.688 838 HE2 LYS 134 HE2 LYS 134 -3.220 12.735 6.083 839 HE3 LYS 134 HE3 LYS 134 -2.496 11.778 4.793 840 HZ1 LYS 134 HZ1 LYS 134 -4.856 11.272 5.148 841 HZ2 LYS 134 HZ2 LYS 134 -4.512 10.762 6.724 842 HZ3 LYS 134 HZ3 LYS 134 -3.874 9.919 5.405 843 H GLU 135 HN GLU 135 2.700 8.014 7.255 844 HA GLU 135 HA GLU 135 3.446 8.575 10.030 845 HB2 GLU 135 HB2 GLU 135 2.677 6.277 9.298 846 HB3 GLU 135 HB3 GLU 135 4.177 6.150 8.389 847 HG2 GLU 135 HG2 GLU 135 5.483 6.176 10.351 848 HG3 GLU 135 HG3 GLU 135 4.121 6.694 11.340 849 H ASP 136 HN ASP 136 4.433 10.091 7.621 850 HA ASP 136 HA ASP 136 7.225 10.122 8.372 851 HB2 ASP 136 HB2 ASP 136 6.318 9.324 5.611 852 HB3 ASP 136 HB3 ASP 136 7.900 10.042 5.894 853 H VAL 137 HN VAL 137 8.343 12.010 7.617 854 HA VAL 137 HA VAL 137 6.511 14.175 6.806 855 HB VAL 137 HB VAL 137 8.061 15.746 7.913 856 HG11 VAL 137 HG11 VAL 137 6.104 14.838 9.105 857 HG12 VAL 137 HG12 VAL 137 7.433 15.238 10.191 858 HG13 VAL 137 HG13 VAL 137 7.123 13.557 9.762 859 HG21 VAL 137 HG21 VAL 137 9.802 14.906 9.415 860 HG22 VAL 137 HG22 VAL 137 10.118 14.445 7.743 861 HG23 VAL 137 HG23 VAL 137 9.473 13.259 8.878 862 H LYS 138 HN LYS 138 7.647 16.030 5.684 863 HA LYS 138 HA LYS 138 8.846 16.892 3.963 864 HB2 LYS 138 HB2 LYS 138 10.850 16.133 5.142 865 HB3 LYS 138 HB3 LYS 138 10.693 14.539 4.420 866 HG2 LYS 138 HG2 LYS 138 11.018 15.540 2.195 867 HG3 LYS 138 HG3 LYS 138 11.248 17.113 2.960 868 HD2 LYS 138 HD2 LYS 138 13.208 16.325 4.110 869 HD3 LYS 138 HD3 LYS 138 12.934 14.680 3.534 870 HE2 LYS 138 HE2 LYS 138 13.221 15.501 1.210 871 HE3 LYS 138 HE3 LYS 138 13.617 17.093 1.858 872 HZ1 LYS 138 HZ1 LYS 138 15.612 15.854 1.344 873 HZ2 LYS 138 HZ2 LYS 138 15.131 14.585 2.354 874 HZ3 LYS 138 HZ3 LYS 138 15.504 16.097 3.016 Start of MODEL 10 1 H HIS 28 H1 HIS 28 -9.397 2.070 39.233 2 HA HIS 28 HA HIS 28 -7.991 3.574 38.007 3 HB2 HIS 28 HB2 HIS 28 -9.265 1.425 36.295 4 HB3 HIS 28 HB3 HIS 28 -7.733 2.215 35.938 5 HD1 HIS 28 HD1 HIS 28 -9.135 -0.642 37.663 6 HD2 HIS 28 HD2 HIS 28 -5.717 1.694 38.028 7 HE1 HIS 28 HE1 HIS 28 -7.535 -2.002 39.048 8 HE2 HIS 28 HE2 HIS 28 -5.456 -0.589 39.216 9 H MET 29 HN MET 29 -8.247 5.589 37.295 10 HA MET 29 HA MET 29 -8.917 7.391 36.089 11 HB2 MET 29 HB2 MET 29 -9.611 5.307 34.008 12 HB3 MET 29 HB3 MET 29 -9.430 7.031 33.712 13 HG2 MET 29 HG2 MET 29 -7.261 5.160 34.644 14 HG3 MET 29 HG3 MET 29 -7.462 5.788 33.009 15 HE1 MET 29 HE1 MET 29 -4.792 5.938 34.726 16 HE2 MET 29 HE2 MET 29 -4.243 7.591 34.453 17 HE3 MET 29 HE3 MET 29 -4.863 6.634 33.107 18 H GLU 30 HN GLU 30 -10.613 8.050 37.401 19 HA GLU 30 HA GLU 30 -13.300 7.092 36.705 20 HB2 GLU 30 HB2 GLU 30 -12.461 8.784 39.068 21 HB3 GLU 30 HB3 GLU 30 -14.037 8.046 38.813 22 HG2 GLU 30 HG2 GLU 30 -11.433 6.646 39.363 23 HG3 GLU 30 HG3 GLU 30 -12.838 6.755 40.421 24 H CYS 31 HN CYS 31 -13.189 8.326 34.691 25 HA CYS 31 HA CYS 31 -14.130 11.073 35.108 26 HB2 CYS 31 HB2 CYS 31 -12.055 10.255 33.061 27 HB3 CYS 31 HB3 CYS 31 -12.828 11.835 33.136 28 HG CYS 31 HG CYS 31 -10.337 10.578 35.003 29 H ALA 32 HN ALA 32 -13.508 8.778 32.439 30 HA ALA 32 HA ALA 32 -16.298 9.163 31.564 31 HB1 ALA 32 HB1 ALA 32 -14.702 10.220 30.021 32 HB2 ALA 32 HB2 ALA 32 -15.567 8.883 29.263 33 HB3 ALA 32 HB3 ALA 32 -13.901 8.665 29.799 34 H ASP 33 HN ASP 33 -13.534 6.925 31.219 35 HA ASP 33 HA ASP 33 -15.408 4.681 31.588 36 HB2 ASP 33 HB2 ASP 33 -14.747 4.761 29.239 37 HB3 ASP 33 HB3 ASP 33 -13.048 4.807 29.694 38 H VAL 34 HN VAL 34 -14.691 2.967 32.832 39 HA VAL 34 HA VAL 34 -12.222 3.469 34.353 40 HB VAL 34 HB VAL 34 -14.585 1.740 35.119 41 HG11 VAL 34 HG11 VAL 34 -12.538 0.932 36.121 42 HG12 VAL 34 HG12 VAL 34 -13.527 1.718 37.351 43 HG13 VAL 34 HG13 VAL 34 -12.132 2.557 36.673 44 HG21 VAL 34 HG21 VAL 34 -13.784 4.493 36.062 45 HG22 VAL 34 HG22 VAL 34 -15.059 3.507 36.776 46 HG23 VAL 34 HG23 VAL 34 -15.213 4.078 35.115 47 HA PRO 35 HA PRO 35 -10.926 0.015 31.593 48 HB2 PRO 35 HB2 PRO 35 -8.271 0.347 32.363 49 HB3 PRO 35 HB3 PRO 35 -9.031 1.088 30.953 50 HG2 PRO 35 HG2 PRO 35 -8.524 2.239 33.661 51 HG3 PRO 35 HG3 PRO 35 -8.401 3.012 32.070 52 HD2 PRO 35 HD2 PRO 35 -10.490 3.471 33.670 53 HD3 PRO 35 HD3 PRO 35 -10.696 3.335 31.913 54 H LEU 36 HN LEU 36 -11.371 -1.921 32.404 55 HA LEU 36 HA LEU 36 -9.811 -2.921 34.650 56 HB2 LEU 36 HB2 LEU 36 -11.936 -1.978 35.579 57 HB3 LEU 36 HB3 LEU 36 -12.819 -3.144 34.613 58 HG LEU 36 HG LEU 36 -11.645 -4.973 35.849 59 HD11 LEU 36 HD11 LEU 36 -10.542 -4.405 37.966 60 HD12 LEU 36 HD12 LEU 36 -10.682 -2.692 37.571 61 HD13 LEU 36 HD13 LEU 36 -9.680 -3.749 36.575 62 HD21 LEU 36 HD21 LEU 36 -13.904 -4.236 36.454 63 HD22 LEU 36 HD22 LEU 36 -13.213 -3.047 37.559 64 HD23 LEU 36 HD23 LEU 36 -12.987 -4.770 37.863 65 H LEU 37 HN LEU 37 -12.479 -3.771 32.441 66 HA LEU 37 HA LEU 37 -10.955 -6.093 31.541 67 HB2 LEU 37 HB2 LEU 37 -12.584 -6.665 33.471 68 HB3 LEU 37 HB3 LEU 37 -13.849 -6.435 32.281 69 HG LEU 37 HG LEU 37 -11.589 -8.409 31.943 70 HD11 LEU 37 HD11 LEU 37 -14.390 -8.881 32.955 71 HD12 LEU 37 HD12 LEU 37 -12.905 -9.012 33.897 72 HD13 LEU 37 HD13 LEU 37 -13.208 -10.131 32.569 73 HD21 LEU 37 HD21 LEU 37 -13.154 -9.398 30.279 74 HD22 LEU 37 HD22 LEU 37 -12.571 -7.792 29.844 75 HD23 LEU 37 HD23 LEU 37 -14.199 -7.993 30.491 76 H TPO 38 HN TPO 38 -10.745 -4.747 29.658 77 HA TPO 38 HA TPO 38 -12.836 -5.214 27.739 78 HB TPO 38 HB TPO 38 -12.030 -2.353 27.792 79 HG21 TPO 38 HG21 TPO 38 -14.219 -1.950 26.976 80 HG22 TPO 38 HG22 TPO 38 -14.747 -3.578 27.401 81 HG23 TPO 38 HG23 TPO 38 -13.585 -3.341 26.096 82 HA PRO 39 HA PRO 39 -9.070 -5.751 25.402 83 HB2 PRO 39 HB2 PRO 39 -10.290 -5.931 22.940 84 HB3 PRO 39 HB3 PRO 39 -10.136 -7.273 24.077 85 HG2 PRO 39 HG2 PRO 39 -12.462 -5.454 23.595 86 HG3 PRO 39 HG3 PRO 39 -12.447 -7.210 23.851 87 HD2 PRO 39 HD2 PRO 39 -13.123 -5.522 25.820 88 HD3 PRO 39 HD3 PRO 39 -12.193 -6.997 26.150 89 H SER 40 HN SER 40 -7.696 -4.421 24.333 90 HA SER 40 HA SER 40 -8.521 -1.684 23.923 91 HB2 SER 40 HB2 SER 40 -5.836 -3.036 23.568 92 HB3 SER 40 HB3 SER 40 -6.114 -1.304 23.390 93 HG SER 40 HG SER 40 -5.961 -2.852 25.671 94 H SEP 41 HN SEP 41 -9.841 -1.573 22.153 95 HA SEP 41 HA SEP 41 -9.483 -2.881 19.714 96 HB2 SEP 41 HB2 SEP 41 -11.187 -0.773 20.752 97 HB3 SEP 41 HB3 SEP 41 -10.726 -0.458 19.077 98 H LYS 42 HN LYS 42 -8.020 0.054 20.947 99 HA LYS 42 HA LYS 42 -7.029 1.083 18.509 100 HB2 LYS 42 HB2 LYS 42 -5.430 2.338 19.917 101 HB3 LYS 42 HB3 LYS 42 -7.081 2.460 20.505 102 HG2 LYS 42 HG2 LYS 42 -6.589 0.770 22.213 103 HG3 LYS 42 HG3 LYS 42 -4.925 0.685 21.632 104 HD2 LYS 42 HD2 LYS 42 -4.585 3.026 22.201 105 HD3 LYS 42 HD3 LYS 42 -6.266 3.159 22.721 106 HE2 LYS 42 HE2 LYS 42 -4.232 1.301 23.949 107 HE3 LYS 42 HE3 LYS 42 -4.653 2.886 24.593 108 HZ1 LYS 42 HZ1 LYS 42 -5.861 1.145 25.731 109 HZ2 LYS 42 HZ2 LYS 42 -6.513 0.591 24.273 110 HZ3 LYS 42 HZ3 LYS 42 -6.939 2.117 24.861 111 H GLU 43 HN GLU 43 -5.672 -1.229 20.830 112 HA GLU 43 HA GLU 43 -3.169 -1.501 19.502 113 HB2 GLU 43 HB2 GLU 43 -3.473 -2.096 21.872 114 HB3 GLU 43 HB3 GLU 43 -4.556 -3.400 21.408 115 HG2 GLU 43 HG2 GLU 43 -2.340 -4.236 21.951 116 HG3 GLU 43 HG3 GLU 43 -2.735 -4.530 20.259 117 H MET 44 HN MET 44 -6.243 -3.233 19.336 118 HA MET 44 HA MET 44 -5.367 -5.339 17.654 119 HB2 MET 44 HB2 MET 44 -7.399 -5.563 18.935 120 HB3 MET 44 HB3 MET 44 -8.100 -4.154 18.156 121 HG2 MET 44 HG2 MET 44 -8.007 -5.419 15.995 122 HG3 MET 44 HG3 MET 44 -7.542 -6.840 16.929 123 HE1 MET 44 HE1 MET 44 -11.521 -4.628 17.676 124 HE2 MET 44 HE2 MET 44 -10.351 -4.078 16.475 125 HE3 MET 44 HE3 MET 44 -9.936 -4.047 18.189 126 H MET 45 HN MET 45 -6.714 -2.131 17.031 127 HA MET 45 HA MET 45 -7.130 -2.392 14.268 128 HB2 MET 45 HB2 MET 45 -8.051 -0.556 15.640 129 HB3 MET 45 HB3 MET 45 -6.431 0.099 15.834 130 HG2 MET 45 HG2 MET 45 -7.619 1.336 14.153 131 HG3 MET 45 HG3 MET 45 -6.294 0.443 13.411 132 HE1 MET 45 HE1 MET 45 -7.336 0.798 10.997 133 HE2 MET 45 HE2 MET 45 -8.649 1.729 11.719 134 HE3 MET 45 HE3 MET 45 -9.011 0.422 10.592 135 H SER 46 HN SER 46 -4.293 -1.290 16.111 136 HA SER 46 HA SER 46 -2.768 -0.770 13.733 137 HB2 SER 46 HB2 SER 46 -0.876 -0.382 15.307 138 HB3 SER 46 HB3 SER 46 -2.316 0.534 15.749 139 HG SER 46 HG SER 46 -1.107 -1.626 17.034 140 H GLN 47 HN GLN 47 -3.276 -3.492 15.839 141 HA GLN 47 HA GLN 47 -1.052 -5.058 15.536 142 HB2 GLN 47 HB2 GLN 47 -3.155 -5.583 16.833 143 HB3 GLN 47 HB3 GLN 47 -3.866 -6.119 15.318 144 HG2 GLN 47 HG2 GLN 47 -3.070 -8.024 16.524 145 HG3 GLN 47 HG3 GLN 47 -2.054 -7.786 15.102 146 HE21 GLN 47 HE21 GLN 47 -2.225 -7.608 18.575 147 HE22 GLN 47 HE22 GLN 47 -0.525 -7.477 18.853 148 H ALA 48 HN ALA 48 -3.839 -4.967 13.304 149 HA ALA 48 HA ALA 48 -2.789 -6.758 11.409 150 HB1 ALA 48 HB1 ALA 48 -4.497 -5.893 9.896 151 HB2 ALA 48 HB2 ALA 48 -4.777 -4.532 10.982 152 HB3 ALA 48 HB3 ALA 48 -5.159 -6.173 11.506 153 H LEU 49 HN LEU 49 -2.695 -3.200 11.526 154 HA LEU 49 HA LEU 49 -1.384 -2.794 9.085 155 HB2 LEU 49 HB2 LEU 49 -1.316 -1.146 11.613 156 HB3 LEU 49 HB3 LEU 49 -0.698 -0.605 10.063 157 HG LEU 49 HG LEU 49 -3.578 -1.294 10.659 158 HD11 LEU 49 HD11 LEU 49 -2.895 0.765 11.745 159 HD12 LEU 49 HD12 LEU 49 -3.962 1.113 10.384 160 HD13 LEU 49 HD13 LEU 49 -2.223 1.364 10.228 161 HD21 LEU 49 HD21 LEU 49 -2.273 -0.213 8.164 162 HD22 LEU 49 HD22 LEU 49 -4.012 -0.339 8.430 163 HD23 LEU 49 HD23 LEU 49 -3.024 -1.797 8.357 164 H LYS 50 HN LYS 50 -0.064 -3.244 12.357 165 HA LYS 50 HA LYS 50 2.645 -2.908 11.654 166 HB2 LYS 50 HB2 LYS 50 1.340 -4.334 13.963 167 HB3 LYS 50 HB3 LYS 50 3.082 -4.147 13.811 168 HG2 LYS 50 HG2 LYS 50 2.855 -1.734 13.870 169 HG3 LYS 50 HG3 LYS 50 1.100 -1.884 13.946 170 HD2 LYS 50 HD2 LYS 50 1.274 -3.026 16.089 171 HD3 LYS 50 HD3 LYS 50 3.034 -2.942 16.007 172 HE2 LYS 50 HE2 LYS 50 1.191 -0.555 16.061 173 HE3 LYS 50 HE3 LYS 50 2.035 -1.206 17.464 174 HZ1 LYS 50 HZ1 LYS 50 3.248 0.647 16.567 175 HZ2 LYS 50 HZ2 LYS 50 3.292 -0.055 15.030 176 HZ3 LYS 50 HZ3 LYS 50 4.144 -0.766 16.308 177 H ALA 51 HN ALA 51 0.521 -5.709 11.620 178 HA ALA 51 HA ALA 51 2.387 -7.753 11.361 179 HB1 ALA 51 HB1 ALA 51 -0.071 -8.048 11.641 180 HB2 ALA 51 HB2 ALA 51 0.632 -9.070 10.388 181 HB3 ALA 51 HB3 ALA 51 -0.273 -7.624 9.941 182 H THR 52 HN THR 52 1.087 -5.544 8.927 183 HA THR 52 HA THR 52 2.431 -6.827 6.731 184 HB THR 52 HB THR 52 1.189 -4.069 6.774 185 HG1 THR 52 HG1 THR 52 -0.583 -5.203 7.117 186 HG21 THR 52 HG21 THR 52 1.753 -6.006 4.526 187 HG22 THR 52 HG22 THR 52 2.601 -4.491 4.834 188 HG23 THR 52 HG23 THR 52 0.902 -4.470 4.360 189 H PHE 53 HN PHE 53 2.890 -3.842 8.622 190 HA PHE 53 HA PHE 53 4.985 -2.669 7.336 191 HB2 PHE 53 HB2 PHE 53 4.633 -2.924 10.329 192 HB3 PHE 53 HB3 PHE 53 5.715 -1.783 9.541 193 HD1 PHE 53 HD1 PHE 53 3.650 -1.253 7.220 194 HD2 PHE 53 HD2 PHE 53 3.432 -1.180 11.471 195 HE1 PHE 53 HE1 PHE 53 1.820 0.384 7.095 196 HE2 PHE 53 HE2 PHE 53 1.598 0.454 11.350 197 HZ PHE 53 HZ PHE 53 0.791 1.239 9.162 198 H SER 54 HN SER 54 5.255 -5.344 9.695 199 HA SER 54 HA SER 54 8.051 -5.471 9.748 200 HB2 SER 54 HB2 SER 54 7.741 -7.788 10.583 201 HB3 SER 54 HB3 SER 54 6.692 -6.633 11.402 202 HG SER 54 HG SER 54 6.051 -8.700 9.659 203 H GLY 55 HN GLY 55 5.722 -6.936 7.520 204 HA2 GLY 55 HA2 GLY 55 7.695 -8.511 6.141 205 HA3 GLY 55 HA1 GLY 55 6.037 -8.230 5.630 206 H PHE 56 HN PHE 56 7.019 -5.225 6.136 207 HA PHE 56 HA PHE 56 7.829 -4.841 3.342 208 HB2 PHE 56 HB2 PHE 56 5.821 -3.610 4.210 209 HB3 PHE 56 HB3 PHE 56 6.890 -2.741 5.303 210 HD1 PHE 56 HD1 PHE 56 7.264 -3.670 1.710 211 HD2 PHE 56 HD2 PHE 56 6.988 -0.547 4.590 212 HE1 PHE 56 HE1 PHE 56 7.704 -2.012 -0.051 213 HE2 PHE 56 HE2 PHE 56 7.431 1.116 2.831 214 HZ PHE 56 HZ PHE 56 7.792 0.382 0.507 215 H THR 57 HN THR 57 8.688 -3.786 6.631 216 HA THR 57 HA THR 57 10.943 -2.284 6.020 217 HB THR 57 HB THR 57 10.599 -4.007 8.482 218 HG1 THR 57 HG1 THR 57 9.223 -2.538 9.193 219 HG21 THR 57 HG21 THR 57 12.847 -3.119 8.284 220 HG22 THR 57 HG22 THR 57 11.982 -2.258 9.558 221 HG23 THR 57 HG23 THR 57 12.212 -1.502 7.982 222 H LYS 58 HN LYS 58 10.595 -5.777 6.255 223 HA LYS 58 HA LYS 58 13.314 -6.469 6.326 224 HB2 LYS 58 HB2 LYS 58 12.594 -8.645 5.368 225 HB3 LYS 58 HB3 LYS 58 11.629 -8.147 6.749 226 HG2 LYS 58 HG2 LYS 58 9.965 -8.835 5.369 227 HG3 LYS 58 HG3 LYS 58 10.079 -7.155 4.845 228 HD2 LYS 58 HD2 LYS 58 9.989 -8.533 2.893 229 HD3 LYS 58 HD3 LYS 58 11.629 -7.906 3.033 230 HE2 LYS 58 HE2 LYS 58 12.347 -10.024 4.036 231 HE3 LYS 58 HE3 LYS 58 10.705 -10.647 3.885 232 HZ1 LYS 58 HZ1 LYS 58 12.133 -11.411 2.086 233 HZ2 LYS 58 HZ2 LYS 58 12.441 -9.815 1.623 234 HZ3 LYS 58 HZ3 LYS 58 10.878 -10.446 1.490 235 H GLU 59 HN GLU 59 11.220 -5.500 3.703 236 HA GLU 59 HA GLU 59 13.153 -6.112 1.638 237 HB2 GLU 59 HB2 GLU 59 10.777 -6.263 1.120 238 HB3 GLU 59 HB3 GLU 59 10.534 -4.586 1.589 239 HG2 GLU 59 HG2 GLU 59 11.931 -3.851 -0.261 240 HG3 GLU 59 HG3 GLU 59 12.211 -5.527 -0.724 241 H GLN 60 HN GLN 60 11.927 -3.270 3.360 242 HA GLN 60 HA GLN 60 13.238 -1.261 1.944 243 HB2 GLN 60 HB2 GLN 60 12.668 -1.289 4.909 244 HB3 GLN 60 HB3 GLN 60 12.908 0.133 3.906 245 HG2 GLN 60 HG2 GLN 60 10.655 -1.823 3.551 246 HG3 GLN 60 HG3 GLN 60 10.541 -0.342 4.492 247 HE21 GLN 60 HE21 GLN 60 10.488 1.634 3.437 248 HE22 GLN 60 HE22 GLN 60 10.216 1.769 1.737 249 H GLN 61 HN GLN 61 14.436 -3.449 4.406 250 HA GLN 61 HA GLN 61 16.935 -1.999 4.699 251 HB2 GLN 61 HB2 GLN 61 17.560 -3.770 6.256 252 HB3 GLN 61 HB3 GLN 61 15.962 -3.145 6.636 253 HG2 GLN 61 HG2 GLN 61 14.970 -5.086 5.480 254 HG3 GLN 61 HG3 GLN 61 16.592 -5.725 5.221 255 HE21 GLN 61 HE21 GLN 61 14.111 -5.052 7.567 256 HE22 GLN 61 HE22 GLN 61 14.776 -6.008 8.842 257 H ARG 62 HN ARG 62 15.800 -4.944 3.109 258 HA ARG 62 HA ARG 62 18.345 -5.881 2.297 259 HB2 ARG 62 HB2 ARG 62 16.298 -7.280 2.356 260 HB3 ARG 62 HB3 ARG 62 15.658 -6.365 0.997 261 HG2 ARG 62 HG2 ARG 62 17.555 -7.121 -0.376 262 HG3 ARG 62 HG3 ARG 62 18.128 -8.087 0.984 263 HD2 ARG 62 HD2 ARG 62 15.437 -8.392 -0.345 264 HD3 ARG 62 HD3 ARG 62 16.843 -9.403 -0.671 265 HE ARG 62 HE ARG 62 16.393 -9.491 2.068 266 HH11 ARG 62 HH11 ARG 62 14.711 -10.432 -0.855 267 HH12 ARG 62 HH12 ARG 62 13.881 -11.749 -0.099 268 HH21 ARG 62 HH21 ARG 62 15.301 -11.229 3.057 269 HH22 ARG 62 HH22 ARG 62 14.218 -12.203 2.122 270 H LEU 63 HN LEU 63 15.961 -3.764 0.760 271 HA LEU 63 HA LEU 63 17.670 -3.401 -1.598 272 HB2 LEU 63 HB2 LEU 63 14.932 -2.270 -1.046 273 HB3 LEU 63 HB3 LEU 63 15.775 -2.301 -2.582 274 HG LEU 63 HG LEU 63 14.749 -4.722 -1.096 275 HD11 LEU 63 HD11 LEU 63 12.956 -3.364 -2.033 276 HD12 LEU 63 HD12 LEU 63 13.133 -4.881 -2.915 277 HD13 LEU 63 HD13 LEU 63 13.755 -3.381 -3.606 278 HD21 LEU 63 HD21 LEU 63 15.330 -5.933 -3.157 279 HD22 LEU 63 HD22 LEU 63 16.747 -5.256 -2.355 280 HD23 LEU 63 HD23 LEU 63 16.084 -4.468 -3.787 281 H GLY 64 HN GLY 64 16.515 -1.646 1.233 282 HA2 GLY 64 HA2 GLY 64 17.733 0.204 2.119 283 HA3 GLY 64 HA1 GLY 64 18.312 0.564 0.500 284 H ILE 65 HN ILE 65 15.146 -0.099 0.069 285 HA ILE 65 HA ILE 65 14.333 2.456 -0.608 286 HB ILE 65 HB ILE 65 12.521 0.231 0.346 287 HG12 ILE 65 HG12 ILE 65 13.400 0.853 -2.482 288 HG13 ILE 65 HG13 ILE 65 14.101 -0.425 -1.495 289 HG21 ILE 65 HG21 ILE 65 11.394 2.382 0.213 290 HG22 ILE 65 HG22 ILE 65 10.830 1.311 -1.068 291 HG23 ILE 65 HG23 ILE 65 11.972 2.603 -1.437 292 HD11 ILE 65 HD11 ILE 65 11.229 -0.240 -2.372 293 HD12 ILE 65 HD12 ILE 65 11.922 -1.517 -1.371 294 HD13 ILE 65 HD13 ILE 65 12.462 -1.312 -3.038 295 HA PRO 66 HA PRO 66 13.672 4.268 3.415 296 HB2 PRO 66 HB2 PRO 66 12.756 6.670 2.605 297 HB3 PRO 66 HB3 PRO 66 14.454 6.207 2.443 298 HG2 PRO 66 HG2 PRO 66 12.285 6.207 0.382 299 HG3 PRO 66 HG3 PRO 66 13.972 6.728 0.230 300 HD2 PRO 66 HD2 PRO 66 13.049 4.298 -0.625 301 HD3 PRO 66 HD3 PRO 66 14.726 4.595 -0.127 302 H LYS 67 HN LYS 67 11.842 5.250 4.659 303 HA LYS 67 HA LYS 67 9.301 4.060 3.816 304 HB2 LYS 67 HB2 LYS 67 10.055 5.208 6.511 305 HB3 LYS 67 HB3 LYS 67 8.599 4.297 6.134 306 HG2 LYS 67 HG2 LYS 67 9.960 2.323 5.650 307 HG3 LYS 67 HG3 LYS 67 11.419 3.238 6.037 308 HD2 LYS 67 HD2 LYS 67 10.565 3.583 8.323 309 HD3 LYS 67 HD3 LYS 67 9.146 2.616 7.923 310 HE2 LYS 67 HE2 LYS 67 10.690 1.212 9.089 311 HE3 LYS 67 HE3 LYS 67 10.675 0.717 7.397 312 HZ1 LYS 67 HZ1 LYS 67 12.722 1.919 7.042 313 HZ2 LYS 67 HZ2 LYS 67 12.924 0.830 8.320 314 HZ3 LYS 67 HZ3 LYS 67 12.721 2.479 8.639 315 H ASP 68 HN ASP 68 9.748 6.154 2.269 316 HA ASP 68 HA ASP 68 7.798 8.125 3.192 317 HB2 ASP 68 HB2 ASP 68 10.529 8.867 2.117 318 HB3 ASP 68 HB3 ASP 68 9.215 10.001 2.406 319 HA PRO 69 HA PRO 69 6.637 6.818 -1.044 320 HB2 PRO 69 HB2 PRO 69 4.236 8.376 -0.245 321 HB3 PRO 69 HB3 PRO 69 4.352 6.747 -0.919 322 HG2 PRO 69 HG2 PRO 69 3.756 7.123 1.649 323 HG3 PRO 69 HG3 PRO 69 4.794 5.783 1.136 324 HD2 PRO 69 HD2 PRO 69 5.548 8.387 2.399 325 HD3 PRO 69 HD3 PRO 69 6.212 6.764 2.678 326 H ARG 70 HN ARG 70 6.169 10.050 0.420 327 HA ARG 70 HA ARG 70 5.974 11.432 -2.052 328 HB2 ARG 70 HB2 ARG 70 6.885 12.468 0.646 329 HB3 ARG 70 HB3 ARG 70 6.399 13.461 -0.720 330 HG2 ARG 70 HG2 ARG 70 4.242 13.270 -0.216 331 HG3 ARG 70 HG3 ARG 70 4.364 11.524 -0.002 332 HD2 ARG 70 HD2 ARG 70 5.179 11.811 2.251 333 HD3 ARG 70 HD3 ARG 70 5.228 13.562 2.046 334 HE ARG 70 HE ARG 70 2.616 12.745 1.559 335 HH11 ARG 70 HH11 ARG 70 4.866 12.769 4.242 336 HH12 ARG 70 HH12 ARG 70 3.625 12.902 5.441 337 HH21 ARG 70 HH21 ARG 70 0.985 12.910 3.143 338 HH22 ARG 70 HH22 ARG 70 1.420 12.981 4.818 339 H GLN 71 HN GLN 71 8.669 10.507 0.006 340 HA GLN 71 HA GLN 71 10.584 11.755 -1.819 341 HB2 GLN 71 HB2 GLN 71 10.999 10.427 0.859 342 HB3 GLN 71 HB3 GLN 71 12.261 11.196 -0.094 343 HG2 GLN 71 HG2 GLN 71 11.276 13.341 0.188 344 HG3 GLN 71 HG3 GLN 71 9.826 12.645 0.910 345 HE21 GLN 71 HE21 GLN 71 9.905 11.875 3.031 346 HE22 GLN 71 HE22 GLN 71 11.175 12.317 4.115 347 H TRP 72 HN TRP 72 9.198 9.652 -2.935 348 HA TRP 72 HA TRP 72 11.200 7.477 -3.014 349 HB2 TRP 72 HB2 TRP 72 8.236 7.515 -3.097 350 HB3 TRP 72 HB3 TRP 72 8.999 6.437 -4.253 351 HD1 TRP 72 HD1 TRP 72 11.102 6.556 -1.227 352 HE1 TRP 72 HE1 TRP 72 10.664 4.492 0.247 353 HE3 TRP 72 HE3 TRP 72 6.825 4.867 -3.451 354 HZ2 TRP 72 HZ2 TRP 72 8.753 2.421 0.440 355 HZ3 TRP 72 HZ3 TRP 72 5.753 2.841 -2.564 356 HH2 TRP 72 HH2 TRP 72 6.699 1.646 -0.662 357 H THR 73 HN THR 73 11.075 6.320 -5.281 358 HA THR 73 HA THR 73 10.667 8.260 -7.391 359 HB THR 73 HB THR 73 13.088 8.199 -6.880 360 HG1 THR 73 HG1 THR 73 12.781 8.699 -8.976 361 HG21 THR 73 HG21 THR 73 14.371 6.176 -7.435 362 HG22 THR 73 HG22 THR 73 12.864 5.312 -7.739 363 HG23 THR 73 HG23 THR 73 13.236 5.888 -6.116 364 H GLU 74 HN GLU 74 11.095 6.931 -9.652 365 HA GLU 74 HA GLU 74 8.872 5.341 -10.012 366 HB2 GLU 74 HB2 GLU 74 11.458 5.252 -11.575 367 HB3 GLU 74 HB3 GLU 74 9.925 4.582 -12.115 368 HG2 GLU 74 HG2 GLU 74 8.958 6.874 -11.970 369 HG3 GLU 74 HG3 GLU 74 10.578 7.477 -11.630 370 H THR 75 HN THR 75 12.191 4.255 -9.314 371 HA THR 75 HA THR 75 11.672 1.504 -9.525 372 HB THR 75 HB THR 75 13.747 2.784 -7.736 373 HG1 THR 75 HG1 THR 75 13.830 2.134 -10.515 374 HG21 THR 75 HG21 THR 75 14.998 0.696 -8.175 375 HG22 THR 75 HG22 THR 75 13.604 0.070 -9.057 376 HG23 THR 75 HG23 THR 75 13.477 0.405 -7.330 377 H HIS 76 HN HIS 76 11.737 3.624 -6.654 378 HA HIS 76 HA HIS 76 11.088 1.643 -4.765 379 HB2 HIS 76 HB2 HIS 76 10.575 4.620 -4.680 380 HB3 HIS 76 HB3 HIS 76 10.390 3.539 -3.304 381 HD1 HIS 76 HD1 HIS 76 12.437 5.958 -3.498 382 HD2 HIS 76 HD2 HIS 76 13.328 1.937 -4.047 383 HE1 HIS 76 HE1 HIS 76 14.893 5.742 -3.010 384 HE2 HIS 76 HE2 HIS 76 15.384 3.281 -3.241 385 H VAL 77 HN VAL 77 9.032 3.818 -6.652 386 HA VAL 77 HA VAL 77 6.554 3.234 -5.459 387 HB VAL 77 HB VAL 77 7.252 4.111 -8.270 388 HG11 VAL 77 HG11 VAL 77 4.844 4.726 -8.462 389 HG12 VAL 77 HG12 VAL 77 4.537 3.811 -6.986 390 HG13 VAL 77 HG13 VAL 77 5.131 2.986 -8.427 391 HG21 VAL 77 HG21 VAL 77 6.347 6.268 -7.431 392 HG22 VAL 77 HG22 VAL 77 7.783 5.728 -6.563 393 HG23 VAL 77 HG23 VAL 77 6.190 5.539 -5.833 394 H ARG 78 HN ARG 78 8.141 1.800 -8.335 395 HA ARG 78 HA ARG 78 6.068 -0.123 -8.808 396 HB2 ARG 78 HB2 ARG 78 7.606 0.747 -10.574 397 HB3 ARG 78 HB3 ARG 78 8.924 -0.138 -9.818 398 HG2 ARG 78 HG2 ARG 78 7.591 -2.233 -10.164 399 HG3 ARG 78 HG3 ARG 78 6.464 -1.272 -11.124 400 HD2 ARG 78 HD2 ARG 78 8.289 -0.651 -12.632 401 HD3 ARG 78 HD3 ARG 78 9.410 -1.615 -11.672 402 HE ARG 78 HE ARG 78 7.272 -3.244 -12.487 403 HH11 ARG 78 HH11 ARG 78 10.040 -1.591 -13.849 404 HH12 ARG 78 HH12 ARG 78 10.230 -2.721 -15.147 405 HH21 ARG 78 HH21 ARG 78 7.523 -4.729 -14.197 406 HH22 ARG 78 HH22 ARG 78 8.801 -4.502 -15.345 407 H ASP 79 HN ASP 79 9.267 -0.292 -7.223 408 HA ASP 79 HA ASP 79 9.223 -3.070 -6.831 409 HB2 ASP 79 HB2 ASP 79 11.250 -1.657 -6.522 410 HB3 ASP 79 HB3 ASP 79 10.547 -0.990 -5.052 411 H TRP 80 HN TRP 80 7.833 -0.414 -4.977 412 HA TRP 80 HA TRP 80 7.113 -1.983 -2.729 413 HB2 TRP 80 HB2 TRP 80 7.145 0.303 -2.239 414 HB3 TRP 80 HB3 TRP 80 6.292 0.733 -3.717 415 HD1 TRP 80 HD1 TRP 80 5.543 -0.963 -0.310 416 HE1 TRP 80 HE1 TRP 80 3.094 -0.464 0.299 417 HE3 TRP 80 HE3 TRP 80 4.144 1.534 -4.545 418 HZ2 TRP 80 HZ2 TRP 80 0.861 0.813 -0.865 419 HZ3 TRP 80 HZ3 TRP 80 1.835 2.363 -4.716 420 HH2 TRP 80 HH2 TRP 80 0.229 2.008 -2.914 421 H VAL 81 HN VAL 81 4.923 -0.497 -5.155 422 HA VAL 81 HA VAL 81 2.641 -1.854 -4.747 423 HB VAL 81 HB VAL 81 2.801 -0.197 -6.495 424 HG11 VAL 81 HG11 VAL 81 5.027 -0.852 -7.356 425 HG12 VAL 81 HG12 VAL 81 3.836 -0.581 -8.626 426 HG13 VAL 81 HG13 VAL 81 4.275 -2.224 -8.165 427 HG21 VAL 81 HG21 VAL 81 1.404 -1.225 -8.174 428 HG22 VAL 81 HG22 VAL 81 0.971 -1.844 -6.581 429 HG23 VAL 81 HG23 VAL 81 1.936 -2.831 -7.677 430 H MET 82 HN MET 82 5.374 -3.110 -6.674 431 HA MET 82 HA MET 82 4.243 -5.578 -7.390 432 HB2 MET 82 HB2 MET 82 6.340 -4.529 -8.327 433 HB3 MET 82 HB3 MET 82 7.172 -5.042 -6.867 434 HG2 MET 82 HG2 MET 82 6.790 -7.349 -7.386 435 HG3 MET 82 HG3 MET 82 5.772 -6.914 -8.758 436 HE1 MET 82 HE1 MET 82 8.407 -5.227 -11.152 437 HE2 MET 82 HE2 MET 82 7.337 -4.471 -9.972 438 HE3 MET 82 HE3 MET 82 6.733 -5.762 -11.010 439 H TRP 83 HN TRP 83 6.328 -4.687 -4.654 440 HA TRP 83 HA TRP 83 6.546 -7.175 -3.434 441 HB2 TRP 83 HB2 TRP 83 7.954 -5.486 -2.615 442 HB3 TRP 83 HB3 TRP 83 6.634 -4.353 -2.388 443 HD1 TRP 83 HD1 TRP 83 8.494 -7.167 -0.652 444 HE1 TRP 83 HE1 TRP 83 7.711 -7.307 1.792 445 HE3 TRP 83 HE3 TRP 83 4.543 -3.932 -0.882 446 HZ2 TRP 83 HZ2 TRP 83 5.675 -6.196 3.409 447 HZ3 TRP 83 HZ3 TRP 83 3.229 -3.526 1.158 448 HH2 TRP 83 HH2 TRP 83 3.787 -4.636 3.259 449 H ALA 84 HN ALA 84 3.962 -4.769 -3.228 450 HA ALA 84 HA ALA 84 2.523 -6.032 -1.121 451 HB1 ALA 84 HB1 ALA 84 0.662 -4.585 -1.772 452 HB2 ALA 84 HB2 ALA 84 1.500 -4.160 -3.264 453 HB3 ALA 84 HB3 ALA 84 2.170 -3.675 -1.708 454 H VAL 85 HN VAL 85 2.104 -5.988 -4.647 455 HA VAL 85 HA VAL 85 -0.000 -7.696 -4.982 456 HB VAL 85 HB VAL 85 2.493 -7.550 -6.679 457 HG11 VAL 85 HG11 VAL 85 -0.207 -8.740 -7.306 458 HG12 VAL 85 HG12 VAL 85 1.325 -9.605 -7.179 459 HG13 VAL 85 HG13 VAL 85 1.069 -8.453 -8.489 460 HG21 VAL 85 HG21 VAL 85 1.205 -6.028 -8.064 461 HG22 VAL 85 HG22 VAL 85 1.287 -5.425 -6.410 462 HG23 VAL 85 HG23 VAL 85 -0.186 -6.198 -6.991 463 H ASN 86 HN ASN 86 3.328 -8.543 -4.189 464 HA ASN 86 HA ASN 86 2.933 -11.375 -4.518 465 HB2 ASN 86 HB2 ASN 86 5.188 -9.892 -3.146 466 HB3 ASN 86 HB3 ASN 86 5.199 -11.588 -3.617 467 HD21 ASN 86 HD21 ASN 86 6.925 -9.313 -4.394 468 HD22 ASN 86 HD22 ASN 86 6.874 -9.271 -6.120 469 H GLU 87 HN GLU 87 3.111 -9.120 -1.781 470 HA GLU 87 HA GLU 87 2.934 -11.092 0.259 471 HB2 GLU 87 HB2 GLU 87 2.236 -8.148 0.329 472 HB3 GLU 87 HB3 GLU 87 2.389 -9.185 1.740 473 HG2 GLU 87 HG2 GLU 87 4.655 -8.819 -0.183 474 HG3 GLU 87 HG3 GLU 87 4.357 -7.679 1.126 475 H PHE 88 HN PHE 88 0.520 -9.234 -1.528 476 HA PHE 88 HA PHE 88 -1.620 -10.526 0.016 477 HB2 PHE 88 HB2 PHE 88 -1.740 -8.122 -1.810 478 HB3 PHE 88 HB3 PHE 88 -3.103 -8.794 -0.926 479 HD1 PHE 88 HD1 PHE 88 -3.155 -8.655 1.548 480 HD2 PHE 88 HD2 PHE 88 -0.167 -6.698 -0.765 481 HE1 PHE 88 HE1 PHE 88 -2.618 -7.214 3.468 482 HE2 PHE 88 HE2 PHE 88 0.378 -5.256 1.150 483 HZ PHE 88 HZ PHE 88 -0.850 -5.512 3.268 484 H SER 89 HN SER 89 0.061 -11.304 -2.621 485 HA SER 89 HA SER 89 -0.332 -12.283 -4.653 486 HB2 SER 89 HB2 SER 89 -2.522 -13.544 -2.982 487 HB3 SER 89 HB3 SER 89 -1.917 -14.184 -4.510 488 HG SER 89 HG SER 89 -1.004 -14.981 -2.388 489 H LEU 90 HN LEU 90 -1.241 -9.837 -4.962 490 HA LEU 90 HA LEU 90 -4.029 -9.751 -5.623 491 HB2 LEU 90 HB2 LEU 90 -1.876 -7.721 -6.199 492 HB3 LEU 90 HB3 LEU 90 -3.604 -7.448 -6.307 493 HG LEU 90 HG LEU 90 -2.044 -8.008 -3.784 494 HD11 LEU 90 HD11 LEU 90 -3.486 -5.521 -4.688 495 HD12 LEU 90 HD12 LEU 90 -1.738 -5.751 -4.714 496 HD13 LEU 90 HD13 LEU 90 -2.603 -5.735 -3.177 497 HD21 LEU 90 HD21 LEU 90 -4.987 -7.433 -4.120 498 HD22 LEU 90 HD22 LEU 90 -4.129 -7.676 -2.598 499 HD23 LEU 90 HD23 LEU 90 -4.293 -9.011 -3.739 500 H LYS 91 HN LYS 91 -4.724 -8.875 -7.797 501 HA LYS 91 HA LYS 91 -3.054 -9.720 -10.027 502 HB2 LYS 91 HB2 LYS 91 -5.206 -10.911 -10.953 503 HB3 LYS 91 HB3 LYS 91 -4.099 -11.761 -9.888 504 HG2 LYS 91 HG2 LYS 91 -6.370 -12.213 -9.236 505 HG3 LYS 91 HG3 LYS 91 -5.577 -11.259 -7.983 506 HD2 LYS 91 HD2 LYS 91 -6.669 -9.246 -8.793 507 HD3 LYS 91 HD3 LYS 91 -7.409 -10.155 -10.113 508 HE2 LYS 91 HE2 LYS 91 -8.669 -11.484 -8.527 509 HE3 LYS 91 HE3 LYS 91 -7.874 -10.673 -7.178 510 HZ1 LYS 91 HZ1 LYS 91 -10.091 -9.783 -7.611 511 HZ2 LYS 91 HZ2 LYS 91 -9.625 -9.345 -9.176 512 HZ3 LYS 91 HZ3 LYS 91 -8.901 -8.603 -7.841 513 H GLY 92 HN GLY 92 -3.848 -9.023 -12.118 514 HA2 GLY 92 HA2 GLY 92 -5.024 -7.632 -13.562 515 HA3 GLY 92 HA1 GLY 92 -6.068 -7.173 -12.229 516 H VAL 93 HN VAL 93 -3.097 -6.682 -10.979 517 HA VAL 93 HA VAL 93 -3.236 -3.842 -11.431 518 HB VAL 93 HB VAL 93 -2.729 -4.768 -9.193 519 HG11 VAL 93 HG11 VAL 93 -0.048 -5.507 -10.352 520 HG12 VAL 93 HG12 VAL 93 -1.336 -6.659 -9.996 521 HG13 VAL 93 HG13 VAL 93 -0.597 -5.733 -8.693 522 HG21 VAL 93 HG21 VAL 93 -2.089 -2.478 -9.752 523 HG22 VAL 93 HG22 VAL 93 -0.533 -3.053 -10.353 524 HG23 VAL 93 HG23 VAL 93 -0.931 -3.211 -8.642 525 H ASP 94 HN ASP 94 -1.767 -2.554 -12.471 526 HA ASP 94 HA ASP 94 0.236 -3.952 -14.119 527 HB2 ASP 94 HB2 ASP 94 -1.344 -1.447 -14.734 528 HB3 ASP 94 HB3 ASP 94 -0.073 -2.110 -15.755 529 H PHE 95 HN PHE 95 2.282 -3.122 -14.274 530 HA PHE 95 HA PHE 95 3.031 -1.186 -12.217 531 HB2 PHE 95 HB2 PHE 95 4.772 -2.895 -14.021 532 HB3 PHE 95 HB3 PHE 95 5.347 -1.886 -12.697 533 HD1 PHE 95 HD2 PHE 95 4.181 -2.386 -10.371 534 HD2 PHE 95 HD1 PHE 95 4.440 -5.133 -13.613 535 HE1 PHE 95 HE2 PHE 95 3.858 -4.255 -8.809 536 HE2 PHE 95 HE1 PHE 95 4.114 -7.008 -12.054 537 HZ PHE 95 HZ PHE 95 3.824 -6.571 -9.647 538 H GLN 96 HN GLN 96 2.666 -1.374 -15.665 539 HA GLN 96 HA GLN 96 4.327 0.741 -16.474 540 HB2 GLN 96 HB2 GLN 96 3.200 -0.840 -18.019 541 HB3 GLN 96 HB3 GLN 96 1.656 -0.091 -17.633 542 HG2 GLN 96 HG2 GLN 96 2.500 2.040 -18.536 543 HG3 GLN 96 HG3 GLN 96 3.997 1.228 -18.988 544 HE21 GLN 96 HE21 GLN 96 2.691 -1.238 -19.815 545 HE22 GLN 96 HE22 GLN 96 1.896 -0.892 -21.306 546 H LYS 97 HN LYS 97 1.089 0.663 -15.113 547 HA LYS 97 HA LYS 97 0.409 3.401 -15.472 548 HB2 LYS 97 HB2 LYS 97 -0.576 1.180 -13.711 549 HB3 LYS 97 HB3 LYS 97 -1.149 2.823 -13.474 550 HG2 LYS 97 HG2 LYS 97 -2.683 1.562 -14.864 551 HG3 LYS 97 HG3 LYS 97 -1.956 2.884 -15.777 552 HD2 LYS 97 HD2 LYS 97 -0.421 1.355 -16.846 553 HD3 LYS 97 HD3 LYS 97 -1.011 0.020 -15.855 554 HE2 LYS 97 HE2 LYS 97 -3.225 0.249 -16.878 555 HE3 LYS 97 HE3 LYS 97 -2.625 1.576 -17.872 556 HZ1 LYS 97 HZ1 LYS 97 -1.066 0.050 -18.909 557 HZ2 LYS 97 HZ2 LYS 97 -2.652 -0.509 -19.092 558 HZ3 LYS 97 HZ3 LYS 97 -1.633 -1.224 -17.949 559 H PHE 98 HN PHE 98 2.146 1.638 -12.939 560 HA PHE 98 HA PHE 98 2.344 4.074 -11.332 561 HB2 PHE 98 HB2 PHE 98 3.212 1.242 -10.720 562 HB3 PHE 98 HB3 PHE 98 3.340 2.602 -9.611 563 HD1 PHE 98 HD1 PHE 98 0.938 3.962 -9.539 564 HD2 PHE 98 HD2 PHE 98 1.512 -0.201 -10.214 565 HE1 PHE 98 HE1 PHE 98 -1.342 3.520 -8.729 566 HE2 PHE 98 HE2 PHE 98 -0.768 -0.649 -9.407 567 HZ PHE 98 HZ PHE 98 -2.197 1.214 -8.663 568 H CYS 99 HN CYS 99 3.761 3.889 -13.876 569 HA CYS 99 HA CYS 99 6.557 3.576 -13.133 570 HB2 CYS 99 HB2 CYS 99 5.699 2.745 -15.329 571 HB3 CYS 99 HB3 CYS 99 5.375 4.412 -15.791 572 HG CYS 99 HG CYS 99 8.466 4.355 -14.840 573 H MET 100 HN MET 100 6.135 5.382 -11.527 574 HA MET 100 HA MET 100 7.205 7.839 -12.628 575 HB2 MET 100 HB2 MET 100 5.443 9.296 -11.931 576 HB3 MET 100 HB3 MET 100 4.689 8.022 -12.878 577 HG2 MET 100 HG2 MET 100 4.194 6.882 -10.659 578 HG3 MET 100 HG3 MET 100 4.640 8.411 -9.905 579 HE1 MET 100 HE1 MET 100 2.084 6.427 -11.973 580 HE2 MET 100 HE2 MET 100 2.616 7.542 -13.234 581 HE3 MET 100 HE3 MET 100 0.979 7.658 -12.587 582 H SER 101 HN SER 101 7.615 9.454 -10.858 583 HA SER 101 HA SER 101 8.988 8.157 -8.708 584 HB2 SER 101 HB2 SER 101 9.767 10.274 -9.757 585 HB3 SER 101 HB3 SER 101 8.369 11.113 -9.088 586 HG SER 101 HG SER 101 9.270 11.106 -7.170 587 H GLY 102 HN GLY 102 8.660 8.578 -6.435 588 HA2 GLY 102 HA2 GLY 102 6.125 7.936 -5.502 589 HA3 GLY 102 HA1 GLY 102 7.413 8.608 -4.513 590 H ALA 103 HN ALA 103 7.705 11.130 -5.529 591 HA ALA 103 HA ALA 103 5.741 12.623 -4.262 592 HB1 ALA 103 HB1 ALA 103 7.942 13.507 -4.843 593 HB2 ALA 103 HB2 ALA 103 6.658 14.558 -5.442 594 HB3 ALA 103 HB3 ALA 103 7.511 13.486 -6.552 595 H ALA 104 HN ALA 104 5.914 11.551 -7.629 596 HA ALA 104 HA ALA 104 3.704 13.082 -8.571 597 HB1 ALA 104 HB1 ALA 104 3.841 11.760 -10.560 598 HB2 ALA 104 HB2 ALA 104 4.756 10.502 -9.728 599 HB3 ALA 104 HB3 ALA 104 5.486 12.083 -10.012 600 H LEU 105 HN LEU 105 4.064 9.689 -7.547 601 HA LEU 105 HA LEU 105 1.440 8.832 -7.952 602 HB2 LEU 105 HB2 LEU 105 3.485 7.443 -7.385 603 HB3 LEU 105 HB3 LEU 105 3.240 7.916 -5.714 604 HG LEU 105 HG LEU 105 0.936 6.895 -5.873 605 HD11 LEU 105 HD11 LEU 105 2.074 5.808 -8.444 606 HD12 LEU 105 HD12 LEU 105 0.675 6.869 -8.271 607 HD13 LEU 105 HD13 LEU 105 0.612 5.219 -7.653 608 HD21 LEU 105 HD21 LEU 105 2.729 5.763 -4.722 609 HD22 LEU 105 HD22 LEU 105 3.355 5.134 -6.244 610 HD23 LEU 105 HD23 LEU 105 1.792 4.587 -5.641 611 H CYS 106 HN CYS 106 2.915 10.265 -5.040 612 HA CYS 106 HA CYS 106 0.604 10.123 -3.426 613 HB2 CYS 106 HB2 CYS 106 2.946 12.039 -3.279 614 HB3 CYS 106 HB3 CYS 106 1.739 11.824 -2.016 615 HG CYS 106 HG CYS 106 3.197 8.962 -2.925 616 H ALA 107 HN ALA 107 1.809 12.589 -5.642 617 HA ALA 107 HA ALA 107 -0.076 14.609 -5.029 618 HB1 ALA 107 HB1 ALA 107 2.017 15.035 -6.243 619 HB2 ALA 107 HB2 ALA 107 0.608 15.645 -7.112 620 HB3 ALA 107 HB3 ALA 107 1.383 14.146 -7.628 621 H LEU 108 HN LEU 108 -0.170 11.844 -7.200 622 HA LEU 108 HA LEU 108 -2.361 12.521 -8.779 623 HB2 LEU 108 HB2 LEU 108 -1.289 9.872 -7.860 624 HB3 LEU 108 HB3 LEU 108 -2.677 9.982 -8.920 625 HG LEU 108 HG LEU 108 0.094 11.010 -9.533 626 HD11 LEU 108 HD11 LEU 108 0.084 9.226 -11.232 627 HD12 LEU 108 HD12 LEU 108 -1.449 8.645 -10.583 628 HD13 LEU 108 HD13 LEU 108 0.005 8.599 -9.587 629 HD21 LEU 108 HD21 LEU 108 -2.411 10.984 -11.212 630 HD22 LEU 108 HD22 LEU 108 -0.801 11.411 -11.788 631 HD23 LEU 108 HD23 LEU 108 -1.594 12.409 -10.570 632 H GLY 109 HN GLY 109 -2.255 11.153 -5.526 633 HA2 GLY 109 HA2 GLY 109 -3.921 11.109 -3.924 634 HA3 GLY 109 HA1 GLY 109 -5.013 11.843 -5.089 635 H LYS 110 HN LYS 110 -6.188 10.052 -3.605 636 HA LYS 110 HA LYS 110 -5.983 7.346 -4.281 637 HB2 LYS 110 HB2 LYS 110 -7.220 8.048 -2.329 638 HB3 LYS 110 HB3 LYS 110 -8.366 8.936 -3.322 639 HG2 LYS 110 HG2 LYS 110 -9.189 6.872 -4.277 640 HG3 LYS 110 HG3 LYS 110 -7.996 5.950 -3.359 641 HD2 LYS 110 HD2 LYS 110 -9.037 6.431 -1.315 642 HD3 LYS 110 HD3 LYS 110 -9.978 7.753 -2.005 643 HE2 LYS 110 HE2 LYS 110 -11.454 5.910 -1.667 644 HE3 LYS 110 HE3 LYS 110 -11.178 6.072 -3.400 645 HZ1 LYS 110 HZ1 LYS 110 -9.518 4.285 -3.227 646 HZ2 LYS 110 HZ2 LYS 110 -11.063 3.771 -2.775 647 HZ3 LYS 110 HZ3 LYS 110 -9.901 4.094 -1.591 648 H GLU 111 HN GLU 111 -8.111 9.864 -5.645 649 HA GLU 111 HA GLU 111 -9.609 8.358 -7.416 650 HB2 GLU 111 HB2 GLU 111 -9.680 10.890 -6.875 651 HB3 GLU 111 HB3 GLU 111 -8.512 11.058 -8.176 652 HG2 GLU 111 HG2 GLU 111 -11.272 9.889 -8.413 653 HG3 GLU 111 HG3 GLU 111 -10.767 11.488 -8.952 654 H CYS 112 HN CYS 112 -6.714 10.218 -8.423 655 HA CYS 112 HA CYS 112 -6.474 9.009 -10.927 656 HB2 CYS 112 HB2 CYS 112 -4.387 10.323 -9.188 657 HB3 CYS 112 HB3 CYS 112 -4.100 9.838 -10.853 658 HG CYS 112 HG CYS 112 -4.716 12.706 -10.240 659 H PHE 113 HN PHE 113 -5.127 8.050 -7.789 660 HA PHE 113 HA PHE 113 -3.367 6.071 -8.727 661 HB2 PHE 113 HB2 PHE 113 -3.370 7.009 -6.415 662 HB3 PHE 113 HB3 PHE 113 -4.849 6.109 -6.088 663 HD1 PHE 113 HD1 PHE 113 -1.249 5.880 -6.652 664 HD2 PHE 113 HD2 PHE 113 -4.811 3.720 -5.796 665 HE1 PHE 113 HE1 PHE 113 0.098 3.924 -6.010 666 HE2 PHE 113 HE2 PHE 113 -3.473 1.760 -5.152 667 HZ PHE 113 HZ PHE 113 -1.014 1.861 -5.260 668 H LEU 114 HN LEU 114 -6.786 5.923 -7.765 669 HA LEU 114 HA LEU 114 -7.065 3.131 -8.092 670 HB2 LEU 114 HB2 LEU 114 -8.865 5.423 -7.685 671 HB3 LEU 114 HB3 LEU 114 -9.583 4.077 -8.549 672 HG LEU 114 HG LEU 114 -9.035 2.573 -6.688 673 HD11 LEU 114 HD11 LEU 114 -8.039 5.049 -5.285 674 HD12 LEU 114 HD12 LEU 114 -7.024 3.744 -5.900 675 HD13 LEU 114 HD13 LEU 114 -8.169 3.431 -4.597 676 HD21 LEU 114 HD21 LEU 114 -10.634 3.450 -5.081 677 HD22 LEU 114 HD22 LEU 114 -11.196 3.730 -6.729 678 HD23 LEU 114 HD23 LEU 114 -10.498 5.055 -5.797 679 H GLU 115 HN GLU 115 -7.034 5.766 -10.353 680 HA GLU 115 HA GLU 115 -8.268 4.344 -12.510 681 HB2 GLU 115 HB2 GLU 115 -6.408 6.728 -12.628 682 HB3 GLU 115 HB3 GLU 115 -7.445 6.159 -13.927 683 HG2 GLU 115 HG2 GLU 115 -8.295 7.372 -11.312 684 HG3 GLU 115 HG3 GLU 115 -8.456 8.068 -12.920 685 H LEU 116 HN LEU 116 -5.100 4.413 -11.123 686 HA LEU 116 HA LEU 116 -3.750 3.346 -13.450 687 HB2 LEU 116 HB2 LEU 116 -2.837 3.757 -10.603 688 HB3 LEU 116 HB3 LEU 116 -1.804 3.191 -11.899 689 HG LEU 116 HG LEU 116 -3.170 5.882 -11.819 690 HD11 LEU 116 HD11 LEU 116 -1.432 5.718 -10.132 691 HD12 LEU 116 HD12 LEU 116 -0.913 6.767 -11.452 692 HD13 LEU 116 HD13 LEU 116 -0.293 5.120 -11.338 693 HD21 LEU 116 HD21 LEU 116 -1.734 6.401 -13.737 694 HD22 LEU 116 HD22 LEU 116 -2.839 5.073 -14.092 695 HD23 LEU 116 HD23 LEU 116 -1.144 4.740 -13.740 696 H ALA 117 HN ALA 117 -4.924 2.145 -10.333 697 HA ALA 117 HA ALA 117 -4.131 -0.586 -11.110 698 HB1 ALA 117 HB1 ALA 117 -5.068 -0.571 -8.446 699 HB2 ALA 117 HB2 ALA 117 -4.003 0.822 -8.631 700 HB3 ALA 117 HB3 ALA 117 -3.416 -0.794 -9.021 701 HA PRO 118 HA PRO 118 -8.242 -2.011 -11.780 702 HB2 PRO 118 HB2 PRO 118 -8.301 -4.287 -10.185 703 HB3 PRO 118 HB3 PRO 118 -7.683 -4.207 -11.836 704 HG2 PRO 118 HG2 PRO 118 -6.204 -4.119 -9.251 705 HG3 PRO 118 HG3 PRO 118 -5.756 -4.903 -10.774 706 HD2 PRO 118 HD2 PRO 118 -4.634 -2.592 -10.011 707 HD3 PRO 118 HD3 PRO 118 -5.001 -2.920 -11.717 708 H ASP 119 HN ASP 119 -10.243 -2.780 -10.627 709 HA ASP 119 HA ASP 119 -11.063 -0.891 -8.730 710 HB2 ASP 119 HB2 ASP 119 -13.139 -2.208 -8.612 711 HB3 ASP 119 HB3 ASP 119 -12.628 -1.886 -10.265 712 H PHE 120 HN PHE 120 -9.331 -3.782 -8.164 713 HA PHE 120 HA PHE 120 -10.390 -3.816 -5.447 714 HB2 PHE 120 HB2 PHE 120 -10.727 -5.960 -6.536 715 HB3 PHE 120 HB3 PHE 120 -9.014 -6.068 -6.927 716 HD1 PHE 120 HD1 PHE 120 -11.460 -6.134 -4.166 717 HD2 PHE 120 HD2 PHE 120 -7.455 -6.917 -5.372 718 HE1 PHE 120 HE1 PHE 120 -11.063 -7.331 -2.054 719 HE2 PHE 120 HE2 PHE 120 -7.050 -8.115 -3.262 720 HZ PHE 120 HZ PHE 120 -8.854 -8.324 -1.600 721 H VAL 121 HN VAL 121 -7.257 -4.489 -7.053 722 HA VAL 121 HA VAL 121 -5.683 -4.292 -4.748 723 HB VAL 121 HB VAL 121 -3.774 -4.219 -6.102 724 HG11 VAL 121 HG11 VAL 121 -5.849 -5.571 -7.816 725 HG12 VAL 121 HG12 VAL 121 -5.133 -6.266 -6.362 726 HG13 VAL 121 HG13 VAL 121 -4.121 -5.919 -7.765 727 HG21 VAL 121 HG21 VAL 121 -4.001 -2.326 -7.426 728 HG22 VAL 121 HG22 VAL 121 -5.517 -2.881 -8.131 729 HG23 VAL 121 HG23 VAL 121 -3.998 -3.648 -8.592 730 H GLY 122 HN GLY 122 -6.928 -1.751 -6.834 731 HA2 GLY 122 HA2 GLY 122 -5.266 0.369 -6.202 732 HA3 GLY 122 HA1 GLY 122 -6.976 0.528 -6.566 733 H ASP 123 HN ASP 123 -7.819 -1.050 -4.237 734 HA ASP 123 HA ASP 123 -7.921 1.073 -2.333 735 HB2 ASP 123 HB2 ASP 123 -8.817 -1.805 -2.059 736 HB3 ASP 123 HB3 ASP 123 -9.247 -0.488 -0.974 737 H ILE 124 HN ILE 124 -6.344 -2.122 -2.364 738 HA ILE 124 HA ILE 124 -5.239 -1.994 0.217 739 HB ILE 124 HB ILE 124 -4.164 -3.461 -2.191 740 HG12 ILE 124 HG12 ILE 124 -6.035 -4.362 0.010 741 HG13 ILE 124 HG13 ILE 124 -6.465 -4.102 -1.678 742 HG21 ILE 124 HG21 ILE 124 -3.074 -4.922 -0.522 743 HG22 ILE 124 HG22 ILE 124 -3.597 -3.816 0.749 744 HG23 ILE 124 HG23 ILE 124 -2.468 -3.266 -0.489 745 HD11 ILE 124 HD11 ILE 124 -4.591 -6.196 -0.610 746 HD12 ILE 124 HD12 ILE 124 -4.926 -5.905 -2.316 747 HD13 ILE 124 HD13 ILE 124 -6.217 -6.452 -1.245 748 H LEU 125 HN LEU 125 -3.618 -1.469 -2.907 749 HA LEU 125 HA LEU 125 -1.147 -0.674 -1.962 750 HB2 LEU 125 HB2 LEU 125 -2.563 0.368 -4.432 751 HB3 LEU 125 HB3 LEU 125 -0.840 0.456 -4.127 752 HG LEU 125 HG LEU 125 -2.383 -2.122 -4.404 753 HD11 LEU 125 HD11 LEU 125 -0.698 -0.640 -6.413 754 HD12 LEU 125 HD12 LEU 125 -2.433 -0.942 -6.505 755 HD13 LEU 125 HD13 LEU 125 -1.297 -2.287 -6.610 756 HD21 LEU 125 HD21 LEU 125 -0.399 -2.407 -3.080 757 HD22 LEU 125 HD22 LEU 125 0.564 -1.513 -4.255 758 HD23 LEU 125 HD23 LEU 125 -0.112 -3.083 -4.683 759 H TRP 126 HN TRP 126 -3.788 1.606 -2.933 760 HA TRP 126 HA TRP 126 -2.380 3.876 -1.971 761 HB2 TRP 126 HB2 TRP 126 -4.060 4.657 -3.322 762 HB3 TRP 126 HB3 TRP 126 -5.138 3.319 -2.945 763 HD1 TRP 126 HD1 TRP 126 -4.328 6.883 -1.920 764 HE1 TRP 126 HE1 TRP 126 -6.109 7.710 -0.258 765 HE3 TRP 126 HE3 TRP 126 -6.764 2.474 -1.093 766 HZ2 TRP 126 HZ2 TRP 126 -8.264 6.629 1.214 767 HZ3 TRP 126 HZ3 TRP 126 -8.672 2.451 0.457 768 HH2 TRP 126 HH2 TRP 126 -9.406 4.486 1.587 769 H GLU 127 HN GLU 127 -4.463 1.571 -0.287 770 HA GLU 127 HA GLU 127 -4.953 3.097 2.035 771 HB2 GLU 127 HB2 GLU 127 -6.041 0.922 1.579 772 HB3 GLU 127 HB3 GLU 127 -4.508 0.096 1.812 773 HG2 GLU 127 HG2 GLU 127 -4.490 1.037 4.148 774 HG3 GLU 127 HG3 GLU 127 -6.152 1.553 3.860 775 H HIS 128 HN HIS 128 -2.366 0.677 1.446 776 HA HIS 128 HA HIS 128 -0.898 1.381 3.779 777 HB2 HIS 128 HB2 HIS 128 -0.764 -0.844 2.654 778 HB3 HIS 128 HB3 HIS 128 0.090 -0.077 1.321 779 HD1 HIS 128 HD1 HIS 128 2.150 -1.606 1.796 780 HD2 HIS 128 HD2 HIS 128 1.156 0.963 4.907 781 HE1 HIS 128 HE1 HIS 128 4.132 -1.624 3.343 782 HE2 HIS 128 HE2 HIS 128 3.533 -0.016 5.187 783 H LEU 129 HN LEU 129 -0.910 2.496 0.468 784 HA LEU 129 HA LEU 129 1.581 3.750 0.313 785 HB2 LEU 129 HB2 LEU 129 0.002 3.410 -1.581 786 HB3 LEU 129 HB3 LEU 129 -1.015 4.676 -0.925 787 HG LEU 129 HG LEU 129 0.778 6.314 -1.277 788 HD11 LEU 129 HD11 LEU 129 2.767 5.694 -2.568 789 HD12 LEU 129 HD12 LEU 129 2.279 4.002 -2.497 790 HD13 LEU 129 HD13 LEU 129 2.705 4.859 -1.017 791 HD21 LEU 129 HD21 LEU 129 0.681 6.371 -3.708 792 HD22 LEU 129 HD22 LEU 129 -0.886 5.927 -3.030 793 HD23 LEU 129 HD23 LEU 129 0.151 4.689 -3.738 794 H GLU 130 HN GLU 130 -1.563 5.092 1.374 795 HA GLU 130 HA GLU 130 -0.509 7.623 2.038 796 HB2 GLU 130 HB2 GLU 130 -3.013 6.329 3.116 797 HB3 GLU 130 HB3 GLU 130 -2.630 8.042 3.180 798 HG2 GLU 130 HG2 GLU 130 -3.404 6.376 0.821 799 HG3 GLU 130 HG3 GLU 130 -4.147 7.849 1.431 800 H ILE 131 HN ILE 131 -0.936 4.635 3.810 801 HA ILE 131 HA ILE 131 -0.446 5.583 6.410 802 HB ILE 131 HB ILE 131 -0.046 2.873 5.148 803 HG12 ILE 131 HG12 ILE 131 -2.045 3.774 7.226 804 HG13 ILE 131 HG13 ILE 131 -2.366 3.815 5.496 805 HG21 ILE 131 HG21 ILE 131 0.180 1.995 7.463 806 HG22 ILE 131 HG22 ILE 131 0.363 3.657 8.024 807 HG23 ILE 131 HG23 ILE 131 1.550 2.962 6.919 808 HD11 ILE 131 HD11 ILE 131 -3.319 1.839 6.566 809 HD12 ILE 131 HD12 ILE 131 -1.705 1.348 7.085 810 HD13 ILE 131 HD13 ILE 131 -2.098 1.412 5.367 811 H LEU 132 HN LEU 132 1.718 4.526 3.834 812 HA LEU 132 HA LEU 132 4.127 4.568 5.326 813 HB2 LEU 132 HB2 LEU 132 3.553 4.827 2.381 814 HB3 LEU 132 HB3 LEU 132 5.180 4.808 3.032 815 HG LEU 132 HG LEU 132 3.189 2.567 3.394 816 HD11 LEU 132 HD11 LEU 132 3.734 2.772 1.050 817 HD12 LEU 132 HD12 LEU 132 4.554 1.366 1.730 818 HD13 LEU 132 HD13 LEU 132 5.456 2.852 1.426 819 HD21 LEU 132 HD21 LEU 132 4.864 2.648 5.144 820 HD22 LEU 132 HD22 LEU 132 6.150 2.758 3.942 821 HD23 LEU 132 HD23 LEU 132 5.182 1.288 4.067 822 H GLN 133 HN GLN 133 2.359 7.018 3.496 823 HA GLN 133 HA GLN 133 4.294 9.036 3.462 824 HB2 GLN 133 HB2 GLN 133 1.287 9.264 3.525 825 HB3 GLN 133 HB3 GLN 133 2.386 10.581 3.142 826 HG2 GLN 133 HG2 GLN 133 3.204 9.335 1.207 827 HG3 GLN 133 HG3 GLN 133 2.095 8.021 1.592 828 HE21 GLN 133 HE21 GLN 133 1.059 8.199 -0.391 829 HE22 GLN 133 HE22 GLN 133 -0.016 9.500 -0.750 830 H LYS 134 HN LYS 134 1.564 8.629 5.737 831 HA LYS 134 HA LYS 134 2.195 10.726 7.449 832 HB2 LYS 134 HB2 LYS 134 0.930 9.435 9.189 833 HB3 LYS 134 HB3 LYS 134 0.074 9.682 7.675 834 HG2 LYS 134 HG2 LYS 134 0.581 7.410 6.989 835 HG3 LYS 134 HG3 LYS 134 1.505 7.156 8.470 836 HD2 LYS 134 HD2 LYS 134 -0.716 6.182 8.671 837 HD3 LYS 134 HD3 LYS 134 -0.525 7.527 9.794 838 HE2 LYS 134 HE2 LYS 134 -2.704 7.633 8.752 839 HE3 LYS 134 HE3 LYS 134 -1.719 8.990 8.212 840 HZ1 LYS 134 HZ1 LYS 134 -2.185 6.490 6.674 841 HZ2 LYS 134 HZ2 LYS 134 -1.283 7.822 6.152 842 HZ3 LYS 134 HZ3 LYS 134 -2.950 7.972 6.390 843 H GLU 135 HN GLU 135 3.441 7.430 7.369 844 HA GLU 135 HA GLU 135 5.046 7.836 9.756 845 HB2 GLU 135 HB2 GLU 135 4.943 5.504 7.827 846 HB3 GLU 135 HB3 GLU 135 5.819 5.528 9.351 847 HG2 GLU 135 HG2 GLU 135 3.731 5.748 10.571 848 HG3 GLU 135 HG3 GLU 135 2.834 5.785 9.053 849 H ASP 136 HN ASP 136 6.159 9.705 8.766 850 HA ASP 136 HA ASP 136 7.931 9.290 6.558 851 HB2 ASP 136 HB2 ASP 136 7.754 11.546 8.566 852 HB3 ASP 136 HB3 ASP 136 8.802 11.553 7.151 853 H VAL 137 HN VAL 137 9.423 7.734 6.917 854 HA VAL 137 HA VAL 137 11.421 8.285 9.002 855 HB VAL 137 HB VAL 137 10.395 5.516 8.342 856 HG11 VAL 137 HG11 VAL 137 11.772 4.828 10.274 857 HG12 VAL 137 HG12 VAL 137 12.406 6.471 10.378 858 HG13 VAL 137 HG13 VAL 137 12.733 5.488 8.950 859 HG21 VAL 137 HG21 VAL 137 9.975 7.149 10.845 860 HG22 VAL 137 HG22 VAL 137 9.407 5.504 10.559 861 HG23 VAL 137 HG23 VAL 137 8.753 6.839 9.611 862 H LYS 138 HN LYS 138 13.023 9.001 7.688 863 HA LYS 138 HA LYS 138 13.588 8.033 5.107 864 HB2 LYS 138 HB2 LYS 138 15.359 9.502 7.069 865 HB3 LYS 138 HB3 LYS 138 15.777 9.212 5.387 866 HG2 LYS 138 HG2 LYS 138 13.376 10.773 6.324 867 HG3 LYS 138 HG3 LYS 138 14.903 11.476 5.790 868 HD2 LYS 138 HD2 LYS 138 13.167 9.688 4.089 869 HD3 LYS 138 HD3 LYS 138 13.125 11.450 4.042 870 HE2 LYS 138 HE2 LYS 138 15.574 9.776 3.496 871 HE3 LYS 138 HE3 LYS 138 14.514 10.432 2.251 872 HZ1 LYS 138 HZ1 LYS 138 15.031 12.667 3.071 873 HZ2 LYS 138 HZ2 LYS 138 16.421 11.850 2.557 874 HZ3 LYS 138 HZ3 LYS 138 16.099 12.009 4.209 Start of MODEL 11 1 H HIS 28 H1 HIS 28 -4.507 16.377 19.073 2 HA HIS 28 HA HIS 28 -6.587 15.281 19.508 3 HB2 HIS 28 HB2 HIS 28 -6.190 16.373 22.302 4 HB3 HIS 28 HB3 HIS 28 -7.712 15.716 21.711 5 HD1 HIS 28 HD1 HIS 28 -4.364 14.725 22.963 6 HD2 HIS 28 HD2 HIS 28 -7.725 12.903 21.336 7 HE1 HIS 28 HE1 HIS 28 -4.073 12.266 23.402 8 HE2 HIS 28 HE2 HIS 28 -6.118 11.180 22.403 9 H MET 29 HN MET 29 -8.265 16.381 18.685 10 HA MET 29 HA MET 29 -9.534 18.091 17.908 11 HB2 MET 29 HB2 MET 29 -8.556 19.451 20.424 12 HB3 MET 29 HB3 MET 29 -9.830 20.077 19.388 13 HG2 MET 29 HG2 MET 29 -11.206 18.149 19.851 14 HG3 MET 29 HG3 MET 29 -9.914 17.424 20.805 15 HE1 MET 29 HE1 MET 29 -9.709 19.799 23.892 16 HE2 MET 29 HE2 MET 29 -8.749 19.881 22.415 17 HE3 MET 29 HE3 MET 29 -9.111 18.317 23.145 18 H GLU 30 HN GLU 30 -7.941 18.162 16.157 19 HA GLU 30 HA GLU 30 -5.848 20.070 16.098 20 HB2 GLU 30 HB2 GLU 30 -5.868 18.139 14.602 21 HB3 GLU 30 HB3 GLU 30 -7.340 18.721 13.839 22 HG2 GLU 30 HG2 GLU 30 -5.995 20.793 13.209 23 HG3 GLU 30 HG3 GLU 30 -4.572 19.858 13.666 24 H CYS 31 HN CYS 31 -6.032 22.210 16.029 25 HA CYS 31 HA CYS 31 -8.531 23.410 15.090 26 HB2 CYS 31 HB2 CYS 31 -7.680 24.071 17.316 27 HB3 CYS 31 HB3 CYS 31 -6.209 24.677 16.564 28 HG CYS 31 HG CYS 31 -7.540 26.957 17.104 29 H ALA 32 HN ALA 32 -7.739 22.698 12.875 30 HA ALA 32 HA ALA 32 -6.597 25.007 11.554 31 HB1 ALA 32 HB1 ALA 32 -4.594 23.739 12.127 32 HB2 ALA 32 HB2 ALA 32 -4.853 23.758 10.383 33 HB3 ALA 32 HB3 ALA 32 -5.252 22.317 11.318 34 H ASP 33 HN ASP 33 -7.440 21.575 10.990 35 HA ASP 33 HA ASP 33 -9.095 22.461 8.717 36 HB2 ASP 33 HB2 ASP 33 -7.544 19.866 8.866 37 HB3 ASP 33 HB3 ASP 33 -8.499 20.444 7.504 38 H VAL 34 HN VAL 34 -8.571 19.474 10.614 39 HA VAL 34 HA VAL 34 -11.364 19.496 11.441 40 HB VAL 34 HB VAL 34 -11.652 17.094 10.763 41 HG11 VAL 34 HG11 VAL 34 -11.259 19.048 8.498 42 HG12 VAL 34 HG12 VAL 34 -12.689 18.938 9.524 43 HG13 VAL 34 HG13 VAL 34 -12.259 17.597 8.464 44 HG21 VAL 34 HG21 VAL 34 -9.312 16.512 10.425 45 HG22 VAL 34 HG22 VAL 34 -9.204 17.653 9.085 46 HG23 VAL 34 HG23 VAL 34 -10.237 16.230 8.951 47 HA PRO 35 HA PRO 35 -9.535 18.095 15.231 48 HB2 PRO 35 HB2 PRO 35 -12.169 16.814 15.703 49 HB3 PRO 35 HB3 PRO 35 -11.291 17.983 16.694 50 HG2 PRO 35 HG2 PRO 35 -13.431 18.727 15.291 51 HG3 PRO 35 HG3 PRO 35 -12.021 19.794 15.440 52 HD2 PRO 35 HD2 PRO 35 -12.857 18.066 13.141 53 HD3 PRO 35 HD3 PRO 35 -12.183 19.709 13.130 54 H LEU 36 HN LEU 36 -8.481 16.303 15.917 55 HA LEU 36 HA LEU 36 -9.314 13.678 14.917 56 HB2 LEU 36 HB2 LEU 36 -6.520 14.805 14.714 57 HB3 LEU 36 HB3 LEU 36 -6.949 13.137 14.390 58 HG LEU 36 HG LEU 36 -8.029 15.494 12.842 59 HD11 LEU 36 HD11 LEU 36 -6.505 14.789 11.061 60 HD12 LEU 36 HD12 LEU 36 -5.804 13.584 12.141 61 HD13 LEU 36 HD13 LEU 36 -5.632 15.302 12.505 62 HD21 LEU 36 HD21 LEU 36 -8.131 12.528 12.298 63 HD22 LEU 36 HD22 LEU 36 -8.757 13.799 11.247 64 HD23 LEU 36 HD23 LEU 36 -9.483 13.528 12.831 65 H LEU 37 HN LEU 37 -9.824 12.722 16.795 66 HA LEU 37 HA LEU 37 -8.018 13.010 19.089 67 HB2 LEU 37 HB2 LEU 37 -10.860 12.058 18.822 68 HB3 LEU 37 HB3 LEU 37 -9.928 11.779 20.280 69 HG LEU 37 HG LEU 37 -9.620 14.257 20.482 70 HD11 LEU 37 HD11 LEU 37 -11.604 14.294 18.214 71 HD12 LEU 37 HD12 LEU 37 -9.958 14.928 18.196 72 HD13 LEU 37 HD13 LEU 37 -11.185 15.688 19.208 73 HD21 LEU 37 HD21 LEU 37 -12.456 13.229 20.448 74 HD22 LEU 37 HD22 LEU 37 -11.901 14.680 21.284 75 HD23 LEU 37 HD23 LEU 37 -11.310 13.095 21.782 76 H TPO 38 HN TPO 38 -6.818 11.359 19.851 77 HA TPO 38 HA TPO 38 -7.337 8.650 18.858 78 HB TPO 38 HB TPO 38 -5.642 9.545 17.371 79 HG21 TPO 38 HG21 TPO 38 -4.636 10.847 19.684 80 HG22 TPO 38 HG22 TPO 38 -4.103 10.999 18.010 81 HG23 TPO 38 HG23 TPO 38 -3.382 9.777 19.056 82 HA PRO 39 HA PRO 39 -6.603 8.788 23.470 83 HB2 PRO 39 HB2 PRO 39 -8.603 6.995 24.015 84 HB3 PRO 39 HB3 PRO 39 -8.839 8.745 23.958 85 HG2 PRO 39 HG2 PRO 39 -9.412 6.686 21.864 86 HG3 PRO 39 HG3 PRO 39 -10.385 8.084 22.356 87 HD2 PRO 39 HD2 PRO 39 -8.870 8.119 20.133 88 HD3 PRO 39 HD3 PRO 39 -9.101 9.568 21.130 89 H SER 40 HN SER 40 -6.471 6.708 24.934 90 HA SER 40 HA SER 40 -4.388 5.124 24.073 91 HB2 SER 40 HB2 SER 40 -6.507 4.451 26.127 92 HB3 SER 40 HB3 SER 40 -4.984 3.585 25.937 93 HG SER 40 HG SER 40 -5.476 5.890 27.238 94 H SEP 41 HN SEP 41 -7.852 4.275 24.062 95 HA SEP 41 HA SEP 41 -7.565 1.712 22.994 96 HB2 SEP 41 HB2 SEP 41 -9.652 2.466 24.032 97 HB3 SEP 41 HB3 SEP 41 -9.907 3.609 22.708 98 H LYS 42 HN LYS 42 -8.061 4.816 21.318 99 HA LYS 42 HA LYS 42 -8.190 3.650 18.727 100 HB2 LYS 42 HB2 LYS 42 -7.682 6.469 19.666 101 HB3 LYS 42 HB3 LYS 42 -7.684 6.037 17.962 102 HG2 LYS 42 HG2 LYS 42 -10.016 5.053 18.432 103 HG3 LYS 42 HG3 LYS 42 -9.955 6.014 19.911 104 HD2 LYS 42 HD2 LYS 42 -11.074 7.315 18.251 105 HD3 LYS 42 HD3 LYS 42 -9.473 8.018 18.486 106 HE2 LYS 42 HE2 LYS 42 -8.672 6.838 16.489 107 HE3 LYS 42 HE3 LYS 42 -10.280 6.153 16.255 108 HZ1 LYS 42 HZ1 LYS 42 -9.914 8.079 14.842 109 HZ2 LYS 42 HZ2 LYS 42 -9.613 9.048 16.195 110 HZ3 LYS 42 HZ3 LYS 42 -11.151 8.386 15.956 111 H GLU 43 HN GLU 43 -5.545 4.766 20.742 112 HA GLU 43 HA GLU 43 -3.537 4.917 18.789 113 HB2 GLU 43 HB2 GLU 43 -3.451 4.363 21.747 114 HB3 GLU 43 HB3 GLU 43 -1.988 4.429 20.772 115 HG2 GLU 43 HG2 GLU 43 -2.400 6.709 20.189 116 HG3 GLU 43 HG3 GLU 43 -3.990 6.666 20.945 117 H MET 44 HN MET 44 -4.981 2.159 20.389 118 HA MET 44 HA MET 44 -2.949 0.269 19.826 119 HB2 MET 44 HB2 MET 44 -5.914 -0.112 20.269 120 HB3 MET 44 HB3 MET 44 -4.751 -1.426 20.175 121 HG2 MET 44 HG2 MET 44 -3.563 -0.428 22.119 122 HG3 MET 44 HG3 MET 44 -4.871 0.746 22.251 123 HE1 MET 44 HE1 MET 44 -7.481 -0.027 22.788 124 HE2 MET 44 HE2 MET 44 -7.924 -1.732 22.866 125 HE3 MET 44 HE3 MET 44 -7.311 -1.047 21.360 126 H MET 45 HN MET 45 -5.586 1.575 17.930 127 HA MET 45 HA MET 45 -5.794 -0.343 15.925 128 HB2 MET 45 HB2 MET 45 -7.282 1.656 16.278 129 HB3 MET 45 HB3 MET 45 -6.029 2.647 15.547 130 HG2 MET 45 HG2 MET 45 -7.257 0.307 14.132 131 HG3 MET 45 HG3 MET 45 -7.948 1.926 14.065 132 HE1 MET 45 HE1 MET 45 -5.176 3.684 14.093 133 HE2 MET 45 HE2 MET 45 -6.626 4.035 13.152 134 HE3 MET 45 HE3 MET 45 -5.055 3.955 12.355 135 H SER 46 HN SER 46 -3.607 2.459 16.166 136 HA SER 46 HA SER 46 -2.368 2.065 13.652 137 HB2 SER 46 HB2 SER 46 -1.308 3.471 16.123 138 HB3 SER 46 HB3 SER 46 -0.609 3.591 14.508 139 HG SER 46 HG SER 46 -1.990 5.335 14.884 140 H GLN 47 HN GLN 47 -1.601 0.963 16.927 141 HA GLN 47 HA GLN 47 0.894 -0.183 16.582 142 HB2 GLN 47 HB2 GLN 47 -1.448 -1.108 18.242 143 HB3 GLN 47 HB3 GLN 47 0.172 -1.778 18.377 144 HG2 GLN 47 HG2 GLN 47 1.053 0.259 19.180 145 HG3 GLN 47 HG3 GLN 47 -0.402 1.147 18.738 146 HE21 GLN 47 HE21 GLN 47 -0.366 -1.995 20.338 147 HE22 GLN 47 HE22 GLN 47 -1.025 -1.439 21.833 148 H ALA 48 HN ALA 48 -2.264 -1.785 16.158 149 HA ALA 48 HA ALA 48 -1.251 -4.228 15.183 150 HB1 ALA 48 HB1 ALA 48 -3.507 -3.982 16.084 151 HB2 ALA 48 HB2 ALA 48 -3.540 -4.671 14.461 152 HB3 ALA 48 HB3 ALA 48 -3.958 -2.976 14.707 153 H LEU 49 HN LEU 49 -2.608 -1.419 13.444 154 HA LEU 49 HA LEU 49 -2.400 -2.368 10.844 155 HB2 LEU 49 HB2 LEU 49 -3.605 -0.331 11.550 156 HB3 LEU 49 HB3 LEU 49 -2.071 0.473 11.812 157 HG LEU 49 HG LEU 49 -1.579 0.193 9.374 158 HD11 LEU 49 HD11 LEU 49 -4.461 -0.685 9.266 159 HD12 LEU 49 HD12 LEU 49 -3.055 -1.694 8.926 160 HD13 LEU 49 HD13 LEU 49 -3.436 -0.330 7.876 161 HD21 LEU 49 HD21 LEU 49 -2.419 2.295 10.254 162 HD22 LEU 49 HD22 LEU 49 -4.079 1.716 10.105 163 HD23 LEU 49 HD23 LEU 49 -3.103 1.980 8.660 164 H LYS 50 HN LYS 50 -0.013 -0.508 12.716 165 HA LYS 50 HA LYS 50 1.929 -0.291 10.692 166 HB2 LYS 50 HB2 LYS 50 2.131 -0.168 13.690 167 HB3 LYS 50 HB3 LYS 50 3.499 0.132 12.626 168 HG2 LYS 50 HG2 LYS 50 2.486 2.061 11.708 169 HG3 LYS 50 HG3 LYS 50 0.927 1.674 12.436 170 HD2 LYS 50 HD2 LYS 50 2.007 3.458 13.675 171 HD3 LYS 50 HD3 LYS 50 1.909 2.004 14.669 172 HE2 LYS 50 HE2 LYS 50 4.243 1.485 14.122 173 HE3 LYS 50 HE3 LYS 50 4.336 2.951 13.146 174 HZ1 LYS 50 HZ1 LYS 50 3.803 2.860 16.068 175 HZ2 LYS 50 HZ2 LYS 50 3.925 4.262 15.128 176 HZ3 LYS 50 HZ3 LYS 50 5.279 3.275 15.351 177 H ALA 51 HN ALA 51 1.432 -2.747 13.192 178 HA ALA 51 HA ALA 51 3.868 -4.119 12.617 179 HB1 ALA 51 HB1 ALA 51 2.993 -5.892 14.071 180 HB2 ALA 51 HB2 ALA 51 1.411 -5.110 14.078 181 HB3 ALA 51 HB3 ALA 51 2.799 -4.301 14.808 182 H THR 52 HN THR 52 0.599 -4.313 11.355 183 HA THR 52 HA THR 52 0.674 -6.849 10.187 184 HB THR 52 HB THR 52 -0.757 -4.401 9.132 185 HG1 THR 52 HG1 THR 52 -1.910 -4.647 10.886 186 HG21 THR 52 HG21 THR 52 -1.249 -7.348 8.686 187 HG22 THR 52 HG22 THR 52 -0.692 -6.185 7.483 188 HG23 THR 52 HG23 THR 52 -2.317 -6.049 8.155 189 H PHE 53 HN PHE 53 2.145 -3.837 9.148 190 HA PHE 53 HA PHE 53 2.823 -4.996 6.545 191 HB2 PHE 53 HB2 PHE 53 3.216 -2.190 7.609 192 HB3 PHE 53 HB3 PHE 53 3.643 -2.723 5.986 193 HD1 PHE 53 HD2 PHE 53 1.687 -3.819 4.624 194 HD2 PHE 53 HD1 PHE 53 1.157 -1.226 7.958 195 HE1 PHE 53 HE2 PHE 53 -0.591 -3.301 3.855 196 HE2 PHE 53 HE1 PHE 53 -1.122 -0.705 7.195 197 HZ PHE 53 HZ PHE 53 -1.998 -1.742 5.140 198 H SER 54 HN SER 54 4.077 -6.145 8.838 199 HA SER 54 HA SER 54 6.713 -5.110 9.188 200 HB2 SER 54 HB2 SER 54 5.608 -6.540 10.878 201 HB3 SER 54 HB3 SER 54 5.661 -7.897 9.753 202 HG SER 54 HG SER 54 7.689 -8.194 10.225 203 H GLY 55 HN GLY 55 5.245 -7.156 6.793 204 HA2 GLY 55 HA2 GLY 55 7.689 -8.382 5.904 205 HA3 GLY 55 HA1 GLY 55 6.139 -8.428 5.081 206 H PHE 56 HN PHE 56 6.703 -5.248 5.692 207 HA PHE 56 HA PHE 56 7.748 -4.827 2.985 208 HB2 PHE 56 HB2 PHE 56 5.581 -3.752 3.568 209 HB3 PHE 56 HB3 PHE 56 6.406 -2.826 4.817 210 HD1 PHE 56 HD1 PHE 56 7.420 -3.636 1.327 211 HD2 PHE 56 HD2 PHE 56 6.370 -0.616 4.137 212 HE1 PHE 56 HE1 PHE 56 7.987 -1.906 -0.327 213 HE2 PHE 56 HE2 PHE 56 6.933 1.119 2.486 214 HZ PHE 56 HZ PHE 56 7.745 0.473 0.252 215 H THR 57 HN THR 57 8.185 -3.678 6.321 216 HA THR 57 HA THR 57 10.345 -1.975 5.875 217 HB THR 57 HB THR 57 9.787 -3.626 8.348 218 HG1 THR 57 HG1 THR 57 8.098 -2.339 8.386 219 HG21 THR 57 HG21 THR 57 11.031 -1.848 9.528 220 HG22 THR 57 HG22 THR 57 11.448 -1.134 7.969 221 HG23 THR 57 HG23 THR 57 12.042 -2.739 8.390 222 H LYS 58 HN LYS 58 10.303 -5.474 6.366 223 HA LYS 58 HA LYS 58 13.090 -5.826 6.636 224 HB2 LYS 58 HB2 LYS 58 12.681 -8.166 6.005 225 HB3 LYS 58 HB3 LYS 58 11.525 -7.611 7.208 226 HG2 LYS 58 HG2 LYS 58 9.829 -7.348 5.493 227 HG3 LYS 58 HG3 LYS 58 10.990 -7.819 4.249 228 HD2 LYS 58 HD2 LYS 58 11.254 -10.000 5.470 229 HD3 LYS 58 HD3 LYS 58 9.895 -9.515 6.485 230 HE2 LYS 58 HE2 LYS 58 9.138 -10.965 4.691 231 HE3 LYS 58 HE3 LYS 58 8.479 -9.345 4.490 232 HZ1 LYS 58 HZ1 LYS 58 10.883 -10.343 3.063 233 HZ2 LYS 58 HZ2 LYS 58 10.063 -8.890 2.783 234 HZ3 LYS 58 HZ3 LYS 58 9.321 -10.364 2.413 235 H GLU 59 HN GLU 59 10.985 -5.559 3.838 236 HA GLU 59 HA GLU 59 12.994 -6.246 1.906 237 HB2 GLU 59 HB2 GLU 59 10.749 -6.624 1.254 238 HB3 GLU 59 HB3 GLU 59 10.238 -5.023 1.764 239 HG2 GLU 59 HG2 GLU 59 12.264 -4.840 -0.270 240 HG3 GLU 59 HG3 GLU 59 10.923 -5.852 -0.807 241 H GLN 60 HN GLN 60 11.627 -3.246 3.224 242 HA GLN 60 HA GLN 60 12.892 -1.413 1.541 243 HB2 GLN 60 HB2 GLN 60 12.077 -1.138 4.438 244 HB3 GLN 60 HB3 GLN 60 12.562 0.206 3.415 245 HG2 GLN 60 HG2 GLN 60 10.690 -0.304 1.902 246 HG3 GLN 60 HG3 GLN 60 10.188 -1.590 2.994 247 HE21 GLN 60 HE21 GLN 60 10.361 1.835 2.480 248 HE22 GLN 60 HE22 GLN 60 9.345 2.290 3.800 249 H GLN 61 HN GLN 61 14.139 -3.230 4.252 250 HA GLN 61 HA GLN 61 16.537 -1.618 4.486 251 HB2 GLN 61 HB2 GLN 61 15.724 -4.240 5.751 252 HB3 GLN 61 HB3 GLN 61 17.252 -3.434 6.075 253 HG2 GLN 61 HG2 GLN 61 16.052 -1.499 6.950 254 HG3 GLN 61 HG3 GLN 61 14.517 -2.300 6.617 255 HE21 GLN 61 HE21 GLN 61 13.897 -2.248 8.774 256 HE22 GLN 61 HE22 GLN 61 14.616 -3.269 9.967 257 H ARG 62 HN ARG 62 15.664 -4.775 3.120 258 HA ARG 62 HA ARG 62 18.291 -5.554 2.420 259 HB2 ARG 62 HB2 ARG 62 16.342 -7.098 2.551 260 HB3 ARG 62 HB3 ARG 62 15.696 -6.358 1.092 261 HG2 ARG 62 HG2 ARG 62 17.738 -7.069 -0.115 262 HG3 ARG 62 HG3 ARG 62 18.263 -7.908 1.346 263 HD2 ARG 62 HD2 ARG 62 16.263 -9.302 1.273 264 HD3 ARG 62 HD3 ARG 62 15.710 -8.447 -0.166 265 HE ARG 62 HE ARG 62 18.311 -9.636 -0.455 266 HH11 ARG 62 HH11 ARG 62 14.866 -10.206 -0.719 267 HH12 ARG 62 HH12 ARG 62 15.045 -11.504 -1.850 268 HH21 ARG 62 HH21 ARG 62 18.538 -11.346 -1.944 269 HH22 ARG 62 HH22 ARG 62 17.128 -12.152 -2.545 270 H LEU 63 HN LEU 63 15.768 -3.804 0.649 271 HA LEU 63 HA LEU 63 17.439 -3.533 -1.729 272 HB2 LEU 63 HB2 LEU 63 14.715 -2.368 -1.170 273 HB3 LEU 63 HB3 LEU 63 15.511 -2.498 -2.727 274 HG LEU 63 HG LEU 63 14.565 -4.831 -1.053 275 HD11 LEU 63 HD11 LEU 63 13.422 -3.594 -3.552 276 HD12 LEU 63 HD12 LEU 63 12.698 -3.576 -1.944 277 HD13 LEU 63 HD13 LEU 63 12.875 -5.099 -2.814 278 HD21 LEU 63 HD21 LEU 63 15.638 -4.780 -3.870 279 HD22 LEU 63 HD22 LEU 63 15.106 -6.198 -2.966 280 HD23 LEU 63 HD23 LEU 63 16.543 -5.314 -2.454 281 H GLY 64 HN GLY 64 16.372 -1.592 1.008 282 HA2 GLY 64 HA2 GLY 64 17.665 0.292 1.726 283 HA3 GLY 64 HA1 GLY 64 18.130 0.568 0.055 284 H ILE 65 HN ILE 65 14.984 -0.099 -0.239 285 HA ILE 65 HA ILE 65 14.118 2.426 -0.923 286 HB ILE 65 HB ILE 65 12.424 0.151 0.128 287 HG12 ILE 65 HG12 ILE 65 12.962 0.949 -2.737 288 HG13 ILE 65 HG13 ILE 65 13.881 -0.295 -1.898 289 HG21 ILE 65 HG21 ILE 65 11.176 2.213 0.230 290 HG22 ILE 65 HG22 ILE 65 10.584 1.241 -1.117 291 HG23 ILE 65 HG23 ILE 65 11.644 2.617 -1.421 292 HD11 ILE 65 HD11 ILE 65 10.899 -0.387 -2.264 293 HD12 ILE 65 HD12 ILE 65 11.959 -1.675 -1.690 294 HD13 ILE 65 HD13 ILE 65 12.055 -1.136 -3.365 295 HA PRO 66 HA PRO 66 13.796 4.363 3.092 296 HB2 PRO 66 HB2 PRO 66 12.852 6.754 2.248 297 HB3 PRO 66 HB3 PRO 66 14.539 6.270 2.045 298 HG2 PRO 66 HG2 PRO 66 12.299 6.207 0.062 299 HG3 PRO 66 HG3 PRO 66 13.978 6.731 -0.164 300 HD2 PRO 66 HD2 PRO 66 13.072 4.288 -0.938 301 HD3 PRO 66 HD3 PRO 66 14.746 4.579 -0.422 302 H LYS 67 HN LYS 67 12.076 5.579 4.341 303 HA LYS 67 HA LYS 67 9.464 4.350 3.818 304 HB2 LYS 67 HB2 LYS 67 10.585 5.609 6.330 305 HB3 LYS 67 HB3 LYS 67 8.974 4.918 6.188 306 HG2 LYS 67 HG2 LYS 67 9.977 2.728 5.700 307 HG3 LYS 67 HG3 LYS 67 11.580 3.434 5.906 308 HD2 LYS 67 HD2 LYS 67 10.900 2.288 7.936 309 HD3 LYS 67 HD3 LYS 67 11.007 4.025 8.223 310 HE2 LYS 67 HE2 LYS 67 9.017 3.121 9.277 311 HE3 LYS 67 HE3 LYS 67 8.570 4.205 7.960 312 HZ1 LYS 67 HZ1 LYS 67 8.656 1.241 7.758 313 HZ2 LYS 67 HZ2 LYS 67 8.129 2.312 6.560 314 HZ3 LYS 67 HZ3 LYS 67 7.251 2.152 7.997 315 H ASP 68 HN ASP 68 9.997 6.461 2.150 316 HA ASP 68 HA ASP 68 8.054 8.440 3.090 317 HB2 ASP 68 HB2 ASP 68 10.766 9.113 1.938 318 HB3 ASP 68 HB3 ASP 68 9.459 10.279 2.139 319 HA PRO 69 HA PRO 69 6.603 7.095 -1.000 320 HB2 PRO 69 HB2 PRO 69 4.340 8.829 -0.171 321 HB3 PRO 69 HB3 PRO 69 4.330 7.161 -0.747 322 HG2 PRO 69 HG2 PRO 69 3.900 7.725 1.823 323 HG3 PRO 69 HG3 PRO 69 4.825 6.294 1.340 324 HD2 PRO 69 HD2 PRO 69 5.801 8.919 2.392 325 HD3 PRO 69 HD3 PRO 69 6.379 7.277 2.744 326 H ARG 70 HN ARG 70 6.688 10.384 0.330 327 HA ARG 70 HA ARG 70 6.351 11.646 -2.237 328 HB2 ARG 70 HB2 ARG 70 7.338 12.778 0.395 329 HB3 ARG 70 HB3 ARG 70 6.982 13.731 -1.037 330 HG2 ARG 70 HG2 ARG 70 5.096 13.988 0.288 331 HG3 ARG 70 HG3 ARG 70 4.621 12.747 -0.871 332 HD2 ARG 70 HD2 ARG 70 4.860 11.026 0.722 333 HD3 ARG 70 HD3 ARG 70 5.746 12.069 1.833 334 HE ARG 70 HE ARG 70 2.863 12.007 1.403 335 HH11 ARG 70 HH11 ARG 70 5.592 13.549 2.968 336 HH12 ARG 70 HH12 ARG 70 4.621 14.312 4.179 337 HH21 ARG 70 HH21 ARG 70 1.591 13.019 3.002 338 HH22 ARG 70 HH22 ARG 70 2.352 14.011 4.201 339 H GLN 71 HN GLN 71 9.046 10.715 -0.182 340 HA GLN 71 HA GLN 71 10.971 11.776 -2.105 341 HB2 GLN 71 HB2 GLN 71 11.395 10.482 0.589 342 HB3 GLN 71 HB3 GLN 71 12.662 11.172 -0.415 343 HG2 GLN 71 HG2 GLN 71 11.738 13.373 -0.169 344 HG3 GLN 71 HG3 GLN 71 10.337 12.732 0.687 345 HE21 GLN 71 HE21 GLN 71 10.581 11.987 2.806 346 HE22 GLN 71 HE22 GLN 71 11.941 12.433 3.776 347 H TRP 72 HN TRP 72 9.352 9.648 -2.999 348 HA TRP 72 HA TRP 72 11.220 7.365 -3.074 349 HB2 TRP 72 HB2 TRP 72 8.282 7.632 -3.076 350 HB3 TRP 72 HB3 TRP 72 8.890 6.513 -4.287 351 HD1 TRP 72 HD1 TRP 72 10.998 6.558 -1.195 352 HE1 TRP 72 HE1 TRP 72 10.524 4.454 0.207 353 HE3 TRP 72 HE3 TRP 72 6.831 4.886 -3.633 354 HZ2 TRP 72 HZ2 TRP 72 8.627 2.362 0.272 355 HZ3 TRP 72 HZ3 TRP 72 5.745 2.826 -2.839 356 HH2 TRP 72 HH2 TRP 72 6.626 1.593 -0.929 357 H THR 73 HN THR 73 11.133 6.170 -5.288 358 HA THR 73 HA THR 73 10.765 8.036 -7.474 359 HB THR 73 HB THR 73 12.811 7.327 -8.588 360 HG1 THR 73 HG1 THR 73 13.531 5.422 -8.011 361 HG21 THR 73 HG21 THR 73 14.470 8.271 -7.074 362 HG22 THR 73 HG22 THR 73 13.363 8.076 -5.716 363 HG23 THR 73 HG23 THR 73 12.977 9.207 -7.013 364 H GLU 74 HN GLU 74 11.191 6.632 -9.684 365 HA GLU 74 HA GLU 74 8.960 5.022 -9.980 366 HB2 GLU 74 HB2 GLU 74 11.541 5.012 -11.553 367 HB3 GLU 74 HB3 GLU 74 10.088 4.154 -12.048 368 HG2 GLU 74 HG2 GLU 74 8.882 6.318 -12.068 369 HG3 GLU 74 HG3 GLU 74 10.409 7.126 -11.721 370 H THR 75 HN THR 75 12.272 4.061 -9.167 371 HA THR 75 HA THR 75 11.868 1.284 -9.322 372 HB THR 75 HB THR 75 13.829 2.747 -7.540 373 HG1 THR 75 HG1 THR 75 14.635 3.321 -9.418 374 HG21 THR 75 HG21 THR 75 13.829 -0.069 -8.634 375 HG22 THR 75 HG22 THR 75 13.624 0.399 -6.946 376 HG23 THR 75 HG23 THR 75 15.164 0.679 -7.757 377 H HIS 76 HN HIS 76 11.799 3.474 -6.504 378 HA HIS 76 HA HIS 76 11.102 1.512 -4.604 379 HB2 HIS 76 HB2 HIS 76 10.487 4.474 -4.506 380 HB3 HIS 76 HB3 HIS 76 10.498 3.371 -3.135 381 HD1 HIS 76 HD1 HIS 76 12.331 5.942 -3.462 382 HD2 HIS 76 HD2 HIS 76 13.488 2.011 -4.130 383 HE1 HIS 76 HE1 HIS 76 14.827 5.924 -3.187 384 HE2 HIS 76 HE2 HIS 76 15.493 3.513 -3.492 385 H VAL 77 HN VAL 77 9.123 3.666 -6.588 386 HA VAL 77 HA VAL 77 6.588 3.075 -5.479 387 HB VAL 77 HB VAL 77 7.409 4.007 -8.243 388 HG11 VAL 77 HG11 VAL 77 4.628 3.757 -7.093 389 HG12 VAL 77 HG12 VAL 77 5.282 2.840 -8.450 390 HG13 VAL 77 HG13 VAL 77 5.042 4.581 -8.597 391 HG21 VAL 77 HG21 VAL 77 6.154 5.429 -5.896 392 HG22 VAL 77 HG22 VAL 77 6.563 6.157 -7.450 393 HG23 VAL 77 HG23 VAL 77 7.841 5.553 -6.395 394 H ARG 78 HN ARG 78 8.194 1.811 -8.422 395 HA ARG 78 HA ARG 78 6.235 -0.131 -9.082 396 HB2 ARG 78 HB2 ARG 78 7.926 0.785 -10.650 397 HB3 ARG 78 HB3 ARG 78 9.189 -0.064 -9.773 398 HG2 ARG 78 HG2 ARG 78 8.064 -2.203 -10.337 399 HG3 ARG 78 HG3 ARG 78 6.926 -1.290 -11.331 400 HD2 ARG 78 HD2 ARG 78 9.919 -1.329 -11.689 401 HD3 ARG 78 HD3 ARG 78 8.768 -2.254 -12.650 402 HE ARG 78 HE ARG 78 8.049 -0.268 -13.674 403 HH11 ARG 78 HH11 ARG 78 10.618 0.335 -11.362 404 HH12 ARG 78 HH12 ARG 78 10.977 1.905 -11.992 405 HH21 ARG 78 HH21 ARG 78 8.537 1.804 -14.493 406 HH22 ARG 78 HH22 ARG 78 9.799 2.740 -13.763 407 H ASP 79 HN ASP 79 9.390 -0.475 -7.398 408 HA ASP 79 HA ASP 79 9.252 -3.225 -7.012 409 HB2 ASP 79 HB2 ASP 79 11.282 -1.888 -6.561 410 HB3 ASP 79 HB3 ASP 79 10.504 -1.182 -5.148 411 H TRP 80 HN TRP 80 7.930 -0.591 -5.039 412 HA TRP 80 HA TRP 80 7.035 -2.215 -2.924 413 HB2 TRP 80 HB2 TRP 80 7.103 0.094 -2.428 414 HB3 TRP 80 HB3 TRP 80 6.210 0.522 -3.884 415 HD1 TRP 80 HD1 TRP 80 5.524 -1.331 -0.536 416 HE1 TRP 80 HE1 TRP 80 3.098 -0.831 0.153 417 HE3 TRP 80 HE3 TRP 80 4.087 1.444 -4.581 418 HZ2 TRP 80 HZ2 TRP 80 0.867 0.555 -0.881 419 HZ3 TRP 80 HZ3 TRP 80 1.790 2.319 -4.653 420 HH2 TRP 80 HH2 TRP 80 0.215 1.882 -2.841 421 H VAL 81 HN VAL 81 5.059 -0.683 -5.486 422 HA VAL 81 HA VAL 81 2.708 -1.951 -5.291 423 HB VAL 81 HB VAL 81 4.248 -1.416 -7.836 424 HG11 VAL 81 HG11 VAL 81 2.657 -3.087 -8.426 425 HG12 VAL 81 HG12 VAL 81 2.014 -1.537 -8.966 426 HG13 VAL 81 HG13 VAL 81 1.386 -2.290 -7.501 427 HG21 VAL 81 HG21 VAL 81 3.700 0.553 -6.513 428 HG22 VAL 81 HG22 VAL 81 2.004 0.077 -6.485 429 HG23 VAL 81 HG23 VAL 81 2.769 0.524 -8.009 430 H MET 82 HN MET 82 5.437 -3.322 -7.147 431 HA MET 82 HA MET 82 4.284 -5.793 -7.747 432 HB2 MET 82 HB2 MET 82 6.455 -4.747 -8.635 433 HB3 MET 82 HB3 MET 82 7.224 -5.416 -7.202 434 HG2 MET 82 HG2 MET 82 6.790 -7.629 -7.878 435 HG3 MET 82 HG3 MET 82 5.655 -7.107 -9.122 436 HE1 MET 82 HE1 MET 82 8.066 -5.408 -11.717 437 HE2 MET 82 HE2 MET 82 7.314 -4.594 -10.346 438 HE3 MET 82 HE3 MET 82 6.391 -5.758 -11.296 439 H TRP 83 HN TRP 83 6.312 -4.832 -4.993 440 HA TRP 83 HA TRP 83 6.511 -7.290 -3.705 441 HB2 TRP 83 HB2 TRP 83 7.896 -5.572 -2.893 442 HB3 TRP 83 HB3 TRP 83 6.558 -4.443 -2.727 443 HD1 TRP 83 HD1 TRP 83 8.422 -7.163 -0.862 444 HE1 TRP 83 HE1 TRP 83 7.546 -7.280 1.555 445 HE3 TRP 83 HE3 TRP 83 4.385 -4.057 -1.308 446 HZ2 TRP 83 HZ2 TRP 83 5.421 -6.201 3.069 447 HZ3 TRP 83 HZ3 TRP 83 2.982 -3.652 0.671 448 HH2 TRP 83 HH2 TRP 83 3.491 -4.703 2.814 449 H ALA 84 HN ALA 84 3.899 -4.922 -3.680 450 HA ALA 84 HA ALA 84 2.422 -6.156 -1.561 451 HB1 ALA 84 HB1 ALA 84 0.663 -4.613 -2.103 452 HB2 ALA 84 HB2 ALA 84 1.392 -4.258 -3.668 453 HB3 ALA 84 HB3 ALA 84 2.204 -3.759 -2.184 454 H VAL 85 HN VAL 85 2.812 -6.812 -4.905 455 HA VAL 85 HA VAL 85 0.286 -8.163 -5.262 456 HB VAL 85 HB VAL 85 2.732 -8.166 -7.036 457 HG11 VAL 85 HG11 VAL 85 1.326 -10.091 -7.468 458 HG12 VAL 85 HG12 VAL 85 1.177 -8.928 -8.785 459 HG13 VAL 85 HG13 VAL 85 -0.099 -9.056 -7.573 460 HG21 VAL 85 HG21 VAL 85 0.207 -6.519 -7.160 461 HG22 VAL 85 HG22 VAL 85 1.467 -6.548 -8.394 462 HG23 VAL 85 HG23 VAL 85 1.824 -5.931 -6.782 463 H ASN 86 HN ASN 86 3.617 -9.017 -4.500 464 HA ASN 86 HA ASN 86 3.128 -11.862 -4.734 465 HB2 ASN 86 HB2 ASN 86 5.534 -10.294 -3.788 466 HB3 ASN 86 HB3 ASN 86 5.480 -12.052 -3.878 467 HD21 ASN 86 HD21 ASN 86 5.649 -9.090 -5.670 468 HD22 ASN 86 HD22 ASN 86 6.006 -9.799 -7.204 469 H GLU 87 HN GLU 87 3.556 -9.494 -2.126 470 HA GLU 87 HA GLU 87 3.521 -11.431 -0.020 471 HB2 GLU 87 HB2 GLU 87 3.039 -8.443 0.035 472 HB3 GLU 87 HB3 GLU 87 3.217 -9.456 1.461 473 HG2 GLU 87 HG2 GLU 87 5.311 -9.013 -0.656 474 HG3 GLU 87 HG3 GLU 87 5.270 -8.260 0.935 475 H PHE 88 HN PHE 88 1.057 -9.396 -1.554 476 HA PHE 88 HA PHE 88 -0.980 -10.575 0.196 477 HB2 PHE 88 HB2 PHE 88 -1.129 -8.187 -1.640 478 HB3 PHE 88 HB3 PHE 88 -2.472 -8.796 -0.682 479 HD1 PHE 88 HD2 PHE 88 -2.529 -8.490 1.718 480 HD2 PHE 88 HD1 PHE 88 0.718 -7.016 -0.604 481 HE1 PHE 88 HE2 PHE 88 -1.812 -7.092 3.612 482 HE2 PHE 88 HE1 PHE 88 1.440 -5.618 1.284 483 HZ PHE 88 HZ PHE 88 0.174 -5.654 3.396 484 H SER 89 HN SER 89 0.403 -11.557 -2.501 485 HA SER 89 HA SER 89 -0.197 -12.602 -4.445 486 HB2 SER 89 HB2 SER 89 -0.804 -14.231 -2.641 487 HB3 SER 89 HB3 SER 89 -2.457 -13.618 -2.702 488 HG SER 89 HG SER 89 -2.790 -14.714 -4.470 489 H LEU 90 HN LEU 90 -0.929 -10.107 -4.801 490 HA LEU 90 HA LEU 90 -3.746 -9.916 -5.387 491 HB2 LEU 90 HB2 LEU 90 -1.542 -7.919 -5.880 492 HB3 LEU 90 HB3 LEU 90 -3.260 -7.599 -5.990 493 HG LEU 90 HG LEU 90 -1.741 -8.297 -3.477 494 HD11 LEU 90 HD11 LEU 90 -1.463 -5.985 -4.474 495 HD12 LEU 90 HD12 LEU 90 -2.042 -6.063 -2.809 496 HD13 LEU 90 HD13 LEU 90 -3.174 -5.739 -4.122 497 HD21 LEU 90 HD21 LEU 90 -3.845 -7.894 -2.311 498 HD22 LEU 90 HD22 LEU 90 -3.998 -9.234 -3.446 499 HD23 LEU 90 HD23 LEU 90 -4.664 -7.652 -3.852 500 H LYS 91 HN LYS 91 -4.218 -8.704 -7.602 501 HA LYS 91 HA LYS 91 -2.580 -9.485 -9.816 502 HB2 LYS 91 HB2 LYS 91 -4.207 -10.992 -10.887 503 HB3 LYS 91 HB3 LYS 91 -3.591 -11.648 -9.378 504 HG2 LYS 91 HG2 LYS 91 -6.190 -10.159 -9.475 505 HG3 LYS 91 HG3 LYS 91 -6.094 -11.873 -9.882 506 HD2 LYS 91 HD2 LYS 91 -5.057 -12.293 -7.667 507 HD3 LYS 91 HD3 LYS 91 -5.298 -10.592 -7.269 508 HE2 LYS 91 HE2 LYS 91 -7.708 -10.860 -7.535 509 HE3 LYS 91 HE3 LYS 91 -7.479 -12.556 -7.963 510 HZ1 LYS 91 HZ1 LYS 91 -8.117 -12.324 -5.653 511 HZ2 LYS 91 HZ2 LYS 91 -6.794 -11.315 -5.351 512 HZ3 LYS 91 HZ3 LYS 91 -6.544 -12.937 -5.758 513 H GLY 92 HN GLY 92 -3.298 -8.679 -11.825 514 HA2 GLY 92 HA2 GLY 92 -4.713 -7.441 -13.246 515 HA3 GLY 92 HA1 GLY 92 -5.705 -7.023 -11.863 516 H VAL 93 HN VAL 93 -2.882 -6.302 -10.579 517 HA VAL 93 HA VAL 93 -3.134 -3.510 -11.166 518 HB VAL 93 HB VAL 93 -2.555 -4.269 -8.903 519 HG11 VAL 93 HG11 VAL 93 -1.145 -6.181 -9.534 520 HG12 VAL 93 HG12 VAL 93 -0.352 -5.115 -8.375 521 HG13 VAL 93 HG13 VAL 93 0.107 -5.063 -10.076 522 HG21 VAL 93 HG21 VAL 93 -0.420 -2.578 -10.200 523 HG22 VAL 93 HG22 VAL 93 -0.767 -2.652 -8.472 524 HG23 VAL 93 HG23 VAL 93 -1.973 -2.008 -9.587 525 H ASP 94 HN ASP 94 -2.023 -2.302 -12.548 526 HA ASP 94 HA ASP 94 -0.008 -3.630 -14.204 527 HB2 ASP 94 HB2 ASP 94 -1.482 -1.027 -14.651 528 HB3 ASP 94 HB3 ASP 94 -0.401 -1.810 -15.796 529 H PHE 95 HN PHE 95 2.069 -3.011 -14.294 530 HA PHE 95 HA PHE 95 2.994 -1.053 -12.341 531 HB2 PHE 95 HB2 PHE 95 4.631 -2.785 -14.220 532 HB3 PHE 95 HB3 PHE 95 5.223 -1.898 -12.819 533 HD1 PHE 95 HD2 PHE 95 4.208 -2.546 -10.529 534 HD2 PHE 95 HD1 PHE 95 3.991 -4.999 -14.001 535 HE1 PHE 95 HE2 PHE 95 3.785 -4.510 -9.112 536 HE2 PHE 95 HE1 PHE 95 3.565 -6.967 -12.587 537 HZ PHE 95 HZ PHE 95 3.463 -6.723 -10.139 538 H GLN 96 HN GLN 96 2.568 -1.329 -15.798 539 HA GLN 96 HA GLN 96 4.247 0.753 -16.666 540 HB2 GLN 96 HB2 GLN 96 1.603 -0.207 -17.778 541 HB3 GLN 96 HB3 GLN 96 2.671 0.919 -18.602 542 HG2 GLN 96 HG2 GLN 96 3.356 -1.912 -17.839 543 HG3 GLN 96 HG3 GLN 96 2.902 -1.358 -19.449 544 HE21 GLN 96 HE21 GLN 96 4.359 -0.110 -20.643 545 HE22 GLN 96 HE22 GLN 96 6.035 -0.021 -20.233 546 H LYS 97 HN LYS 97 0.984 0.742 -15.346 547 HA LYS 97 HA LYS 97 0.356 3.480 -15.761 548 HB2 LYS 97 HB2 LYS 97 -0.665 1.453 -13.770 549 HB3 LYS 97 HB3 LYS 97 -1.361 3.052 -14.006 550 HG2 LYS 97 HG2 LYS 97 -1.928 2.515 -16.289 551 HG3 LYS 97 HG3 LYS 97 -1.128 0.948 -16.148 552 HD2 LYS 97 HD2 LYS 97 -2.729 0.263 -14.458 553 HD3 LYS 97 HD3 LYS 97 -3.509 1.844 -14.530 554 HE2 LYS 97 HE2 LYS 97 -4.090 1.441 -16.876 555 HE3 LYS 97 HE3 LYS 97 -3.318 -0.142 -16.793 556 HZ1 LYS 97 HZ1 LYS 97 -5.644 0.707 -15.151 557 HZ2 LYS 97 HZ2 LYS 97 -4.928 -0.826 -15.149 558 HZ3 LYS 97 HZ3 LYS 97 -5.731 -0.270 -16.531 559 H PHE 98 HN PHE 98 2.177 1.785 -13.266 560 HA PHE 98 HA PHE 98 2.336 4.245 -11.677 561 HB2 PHE 98 HB2 PHE 98 3.065 1.392 -10.999 562 HB3 PHE 98 HB3 PHE 98 3.358 2.762 -9.933 563 HD1 PHE 98 HD1 PHE 98 1.128 4.318 -9.729 564 HD2 PHE 98 HD2 PHE 98 1.236 0.129 -10.465 565 HE1 PHE 98 HE1 PHE 98 -1.144 4.105 -8.817 566 HE2 PHE 98 HE2 PHE 98 -1.038 -0.092 -9.556 567 HZ PHE 98 HZ PHE 98 -2.230 1.900 -8.730 568 H CYS 99 HN CYS 99 3.799 3.994 -14.192 569 HA CYS 99 HA CYS 99 6.567 3.608 -13.417 570 HB2 CYS 99 HB2 CYS 99 5.212 4.323 -16.017 571 HB3 CYS 99 HB3 CYS 99 6.960 4.380 -15.837 572 HG CYS 99 HG CYS 99 5.888 1.998 -17.146 573 H MET 100 HN MET 100 6.110 5.368 -11.738 574 HA MET 100 HA MET 100 7.300 7.836 -12.706 575 HB2 MET 100 HB2 MET 100 5.583 9.308 -11.971 576 HB3 MET 100 HB3 MET 100 4.772 8.079 -12.932 577 HG2 MET 100 HG2 MET 100 4.294 6.907 -10.717 578 HG3 MET 100 HG3 MET 100 4.780 8.418 -9.954 579 HE1 MET 100 HE1 MET 100 2.132 6.524 -12.027 580 HE2 MET 100 HE2 MET 100 2.720 7.636 -13.265 581 HE3 MET 100 HE3 MET 100 1.083 7.808 -12.630 582 H SER 101 HN SER 101 7.806 9.320 -10.853 583 HA SER 101 HA SER 101 9.003 7.786 -8.736 584 HB2 SER 101 HB2 SER 101 9.866 9.957 -7.946 585 HB3 SER 101 HB3 SER 101 10.133 9.765 -9.678 586 HG SER 101 HG SER 101 9.174 11.838 -8.753 587 H GLY 102 HN GLY 102 8.776 8.448 -6.438 588 HA2 GLY 102 HA2 GLY 102 6.187 8.001 -5.504 589 HA3 GLY 102 HA1 GLY 102 7.522 8.596 -4.530 590 H ALA 103 HN ALA 103 7.988 11.057 -5.791 591 HA ALA 103 HA ALA 103 6.221 12.763 -4.507 592 HB1 ALA 103 HB1 ALA 103 8.434 13.446 -5.307 593 HB2 ALA 103 HB2 ALA 103 7.178 14.551 -5.865 594 HB3 ALA 103 HB3 ALA 103 7.860 13.359 -6.972 595 H ALA 104 HN ALA 104 6.115 11.479 -7.798 596 HA ALA 104 HA ALA 104 3.867 13.045 -8.635 597 HB1 ALA 104 HB1 ALA 104 5.466 12.130 -10.246 598 HB2 ALA 104 HB2 ALA 104 3.829 11.563 -10.581 599 HB3 ALA 104 HB3 ALA 104 4.990 10.491 -9.797 600 H LEU 105 HN LEU 105 4.332 9.707 -7.502 601 HA LEU 105 HA LEU 105 1.748 8.735 -7.772 602 HB2 LEU 105 HB2 LEU 105 3.953 7.576 -7.024 603 HB3 LEU 105 HB3 LEU 105 3.451 8.029 -5.407 604 HG LEU 105 HG LEU 105 1.292 6.792 -5.847 605 HD11 LEU 105 HD11 LEU 105 1.395 6.757 -8.276 606 HD12 LEU 105 HD12 LEU 105 1.320 5.118 -7.633 607 HD13 LEU 105 HD13 LEU 105 2.853 5.767 -8.213 608 HD21 LEU 105 HD21 LEU 105 2.285 4.598 -5.420 609 HD22 LEU 105 HD22 LEU 105 3.080 5.857 -4.476 610 HD23 LEU 105 HD23 LEU 105 3.861 5.212 -5.920 611 H CYS 106 HN CYS 106 3.184 10.425 -4.976 612 HA CYS 106 HA CYS 106 0.848 10.354 -3.379 613 HB2 CYS 106 HB2 CYS 106 3.206 12.254 -3.315 614 HB3 CYS 106 HB3 CYS 106 1.964 12.167 -2.072 615 HG CYS 106 HG CYS 106 3.662 9.334 -2.836 616 H ALA 107 HN ALA 107 2.095 12.686 -5.716 617 HA ALA 107 HA ALA 107 0.195 14.729 -5.259 618 HB1 ALA 107 HB1 ALA 107 0.930 15.651 -7.381 619 HB2 ALA 107 HB2 ALA 107 1.726 14.130 -7.785 620 HB3 ALA 107 HB3 ALA 107 2.313 15.101 -6.435 621 H LEU 108 HN LEU 108 -0.045 11.703 -6.917 622 HA LEU 108 HA LEU 108 -2.156 12.379 -8.698 623 HB2 LEU 108 HB2 LEU 108 -1.118 9.764 -7.643 624 HB3 LEU 108 HB3 LEU 108 -2.492 9.846 -8.724 625 HG LEU 108 HG LEU 108 0.316 10.764 -9.340 626 HD11 LEU 108 HD11 LEU 108 0.167 8.377 -9.352 627 HD12 LEU 108 HD12 LEU 108 0.194 8.938 -11.023 628 HD13 LEU 108 HD13 LEU 108 -1.325 8.426 -10.289 629 HD21 LEU 108 HD21 LEU 108 -0.541 11.131 -11.622 630 HD22 LEU 108 HD22 LEU 108 -1.281 12.213 -10.443 631 HD23 LEU 108 HD23 LEU 108 -2.176 10.816 -11.041 632 H GLY 109 HN GLY 109 -2.044 11.224 -5.370 633 HA2 GLY 109 HA2 GLY 109 -3.696 11.220 -3.763 634 HA3 GLY 109 HA1 GLY 109 -4.774 11.963 -4.936 635 H LYS 110 HN LYS 110 -6.060 10.289 -3.469 636 HA LYS 110 HA LYS 110 -5.929 7.548 -4.042 637 HB2 LYS 110 HB2 LYS 110 -7.176 8.418 -2.139 638 HB3 LYS 110 HB3 LYS 110 -8.310 9.220 -3.218 639 HG2 LYS 110 HG2 LYS 110 -9.129 7.101 -4.014 640 HG3 LYS 110 HG3 LYS 110 -7.907 6.238 -3.080 641 HD2 LYS 110 HD2 LYS 110 -9.960 6.110 -1.871 642 HD3 LYS 110 HD3 LYS 110 -8.910 7.239 -1.013 643 HE2 LYS 110 HE2 LYS 110 -10.080 9.118 -2.041 644 HE3 LYS 110 HE3 LYS 110 -11.113 8.000 -2.929 645 HZ1 LYS 110 HZ1 LYS 110 -12.230 8.837 -0.970 646 HZ2 LYS 110 HZ2 LYS 110 -10.985 8.276 0.026 647 HZ3 LYS 110 HZ3 LYS 110 -11.959 7.174 -0.811 648 H GLU 111 HN GLU 111 -7.946 10.089 -5.527 649 HA GLU 111 HA GLU 111 -9.466 8.580 -7.271 650 HB2 GLU 111 HB2 GLU 111 -9.865 10.933 -7.005 651 HB3 GLU 111 HB3 GLU 111 -8.271 11.333 -7.628 652 HG2 GLU 111 HG2 GLU 111 -8.895 10.521 -9.822 653 HG3 GLU 111 HG3 GLU 111 -10.477 10.038 -9.213 654 H CYS 112 HN CYS 112 -6.464 10.272 -8.264 655 HA CYS 112 HA CYS 112 -6.269 8.986 -10.743 656 HB2 CYS 112 HB2 CYS 112 -4.147 10.313 -9.064 657 HB3 CYS 112 HB3 CYS 112 -3.900 9.789 -10.723 658 HG CYS 112 HG CYS 112 -5.548 12.470 -9.544 659 H PHE 113 HN PHE 113 -4.776 8.143 -7.609 660 HA PHE 113 HA PHE 113 -3.127 6.087 -8.580 661 HB2 PHE 113 HB2 PHE 113 -2.959 7.117 -6.307 662 HB3 PHE 113 HB3 PHE 113 -4.404 6.224 -5.842 663 HD1 PHE 113 HD1 PHE 113 -0.855 5.974 -6.691 664 HD2 PHE 113 HD2 PHE 113 -4.329 3.848 -5.467 665 HE1 PHE 113 HE1 PHE 113 0.544 4.038 -6.100 666 HE2 PHE 113 HE2 PHE 113 -2.939 1.907 -4.872 667 HZ PHE 113 HZ PHE 113 -0.498 2.001 -5.189 668 H LEU 114 HN LEU 114 -6.442 5.977 -7.271 669 HA LEU 114 HA LEU 114 -6.772 3.194 -7.488 670 HB2 LEU 114 HB2 LEU 114 -8.742 5.467 -7.444 671 HB3 LEU 114 HB3 LEU 114 -9.262 3.797 -7.564 672 HG LEU 114 HG LEU 114 -7.688 4.996 -5.281 673 HD11 LEU 114 HD11 LEU 114 -9.727 4.656 -3.989 674 HD12 LEU 114 HD12 LEU 114 -10.553 4.071 -5.434 675 HD13 LEU 114 HD13 LEU 114 -10.008 5.747 -5.346 676 HD21 LEU 114 HD21 LEU 114 -8.077 2.839 -4.173 677 HD22 LEU 114 HD22 LEU 114 -7.093 2.665 -5.625 678 HD23 LEU 114 HD23 LEU 114 -8.798 2.215 -5.656 679 H GLU 115 HN GLU 115 -7.102 5.783 -9.828 680 HA GLU 115 HA GLU 115 -8.430 4.274 -11.836 681 HB2 GLU 115 HB2 GLU 115 -6.749 6.775 -11.939 682 HB3 GLU 115 HB3 GLU 115 -7.483 6.073 -13.373 683 HG2 GLU 115 HG2 GLU 115 -9.684 6.392 -12.465 684 HG3 GLU 115 HG3 GLU 115 -9.011 6.951 -10.935 685 H LEU 116 HN LEU 116 -5.121 4.476 -10.788 686 HA LEU 116 HA LEU 116 -4.053 3.242 -13.194 687 HB2 LEU 116 HB2 LEU 116 -2.708 3.905 -10.573 688 HB3 LEU 116 HB3 LEU 116 -1.896 3.367 -12.028 689 HG LEU 116 HG LEU 116 -3.451 5.944 -11.821 690 HD11 LEU 116 HD11 LEU 116 -1.546 6.033 -10.334 691 HD12 LEU 116 HD12 LEU 116 -1.246 7.032 -11.757 692 HD13 LEU 116 HD13 LEU 116 -0.486 5.447 -11.617 693 HD21 LEU 116 HD21 LEU 116 -2.350 6.507 -13.904 694 HD22 LEU 116 HD22 LEU 116 -3.258 5.006 -14.085 695 HD23 LEU 116 HD23 LEU 116 -1.505 4.961 -13.902 696 H ALA 117 HN ALA 117 -4.986 2.342 -9.936 697 HA ALA 117 HA ALA 117 -3.913 -0.361 -10.314 698 HB1 ALA 117 HB1 ALA 117 -3.333 0.684 -8.217 699 HB2 ALA 117 HB2 ALA 117 -4.416 -0.673 -7.920 700 HB3 ALA 117 HB3 ALA 117 -5.033 0.979 -7.856 701 HA PRO 118 HA PRO 118 -7.774 -2.371 -10.978 702 HB2 PRO 118 HB2 PRO 118 -7.312 -4.234 -8.744 703 HB3 PRO 118 HB3 PRO 118 -7.425 -4.561 -10.476 704 HG2 PRO 118 HG2 PRO 118 -5.090 -4.704 -9.171 705 HG3 PRO 118 HG3 PRO 118 -5.191 -4.114 -10.839 706 HD2 PRO 118 HD2 PRO 118 -4.929 -2.557 -8.293 707 HD3 PRO 118 HD3 PRO 118 -4.114 -2.313 -9.852 708 H ASP 119 HN ASP 119 -9.789 -3.224 -9.934 709 HA ASP 119 HA ASP 119 -10.991 -1.285 -8.299 710 HB2 ASP 119 HB2 ASP 119 -12.264 -2.641 -9.870 711 HB3 ASP 119 HB3 ASP 119 -11.891 -4.089 -8.943 712 H PHE 120 HN PHE 120 -9.294 -4.205 -7.490 713 HA PHE 120 HA PHE 120 -10.195 -3.883 -4.725 714 HB2 PHE 120 HB2 PHE 120 -8.915 -6.397 -5.814 715 HB3 PHE 120 HB3 PHE 120 -9.757 -6.211 -4.279 716 HD1 PHE 120 HD1 PHE 120 -12.225 -5.890 -4.265 717 HD2 PHE 120 HD2 PHE 120 -10.083 -6.860 -7.811 718 HE1 PHE 120 HE1 PHE 120 -14.325 -6.597 -5.337 719 HE2 PHE 120 HE2 PHE 120 -12.178 -7.568 -8.890 720 HZ PHE 120 HZ PHE 120 -14.304 -7.435 -7.651 721 H VAL 121 HN VAL 121 -7.303 -4.808 -6.569 722 HA VAL 121 HA VAL 121 -5.430 -4.649 -4.512 723 HB VAL 121 HB VAL 121 -5.070 -4.089 -7.453 724 HG11 VAL 121 HG11 VAL 121 -3.194 -3.111 -6.427 725 HG12 VAL 121 HG12 VAL 121 -2.659 -4.704 -6.961 726 HG13 VAL 121 HG13 VAL 121 -3.044 -4.426 -5.264 727 HG21 VAL 121 HG21 VAL 121 -5.847 -6.305 -7.151 728 HG22 VAL 121 HG22 VAL 121 -4.765 -6.571 -5.785 729 HG23 VAL 121 HG23 VAL 121 -4.107 -6.414 -7.414 730 H GLY 122 HN GLY 122 -6.677 -2.097 -6.641 731 HA2 GLY 122 HA2 GLY 122 -4.942 -0.028 -6.085 732 HA3 GLY 122 HA1 GLY 122 -6.651 0.192 -6.417 733 H ASP 123 HN ASP 123 -7.752 -1.023 -4.150 734 HA ASP 123 HA ASP 123 -7.614 1.061 -2.266 735 HB2 ASP 123 HB2 ASP 123 -8.711 -1.739 -2.000 736 HB3 ASP 123 HB3 ASP 123 -8.947 -0.465 -0.807 737 H ILE 124 HN ILE 124 -6.241 -2.212 -2.230 738 HA ILE 124 HA ILE 124 -5.117 -2.178 0.323 739 HB ILE 124 HB ILE 124 -4.012 -3.564 -2.124 740 HG12 ILE 124 HG12 ILE 124 -5.922 -4.643 -0.044 741 HG13 ILE 124 HG13 ILE 124 -6.415 -4.069 -1.633 742 HG21 ILE 124 HG21 ILE 124 -3.630 -4.152 0.808 743 HG22 ILE 124 HG22 ILE 124 -2.418 -3.495 -0.292 744 HG23 ILE 124 HG23 ILE 124 -3.025 -5.134 -0.526 745 HD11 ILE 124 HD11 ILE 124 -4.592 -6.386 -1.054 746 HD12 ILE 124 HD12 ILE 124 -4.993 -5.784 -2.663 747 HD13 ILE 124 HD13 ILE 124 -6.255 -6.466 -1.636 748 H LEU 125 HN LEU 125 -3.625 -1.312 -2.790 749 HA LEU 125 HA LEU 125 -1.098 -0.646 -1.710 750 HB2 LEU 125 HB2 LEU 125 -2.481 -0.186 -4.314 751 HB3 LEU 125 HB3 LEU 125 -1.078 0.800 -3.958 752 HG LEU 125 HG LEU 125 0.278 -1.231 -3.660 753 HD11 LEU 125 HD11 LEU 125 -1.402 -2.785 -2.920 754 HD12 LEU 125 HD12 LEU 125 -0.658 -3.398 -4.398 755 HD13 LEU 125 HD13 LEU 125 -2.255 -2.652 -4.457 756 HD21 LEU 125 HD21 LEU 125 0.367 -1.871 -6.006 757 HD22 LEU 125 HD22 LEU 125 0.165 -0.127 -5.839 758 HD23 LEU 125 HD23 LEU 125 -1.212 -1.135 -6.280 759 H TRP 126 HN TRP 126 -3.705 1.598 -2.831 760 HA TRP 126 HA TRP 126 -2.336 3.900 -1.906 761 HB2 TRP 126 HB2 TRP 126 -3.984 4.669 -3.290 762 HB3 TRP 126 HB3 TRP 126 -5.042 3.302 -2.963 763 HD1 TRP 126 HD1 TRP 126 -4.449 6.905 -1.997 764 HE1 TRP 126 HE1 TRP 126 -6.282 7.669 -0.361 765 HE3 TRP 126 HE3 TRP 126 -6.612 2.381 -1.038 766 HZ2 TRP 126 HZ2 TRP 126 -8.371 6.500 1.143 767 HZ3 TRP 126 HZ3 TRP 126 -8.519 2.284 0.511 768 HH2 TRP 126 HH2 TRP 126 -9.377 4.302 1.579 769 H GLU 127 HN GLU 127 -4.448 1.650 -0.182 770 HA GLU 127 HA GLU 127 -4.944 3.324 2.053 771 HB2 GLU 127 HB2 GLU 127 -6.064 1.094 1.516 772 HB3 GLU 127 HB3 GLU 127 -4.634 0.311 2.171 773 HG2 GLU 127 HG2 GLU 127 -6.403 0.419 3.822 774 HG3 GLU 127 HG3 GLU 127 -5.022 1.393 4.322 775 H HIS 128 HN HIS 128 -2.432 0.822 1.525 776 HA HIS 128 HA HIS 128 -1.007 1.458 3.915 777 HB2 HIS 128 HB2 HIS 128 -0.875 -0.766 2.862 778 HB3 HIS 128 HB3 HIS 128 -0.094 -0.052 1.456 779 HD1 HIS 128 HD1 HIS 128 2.006 -1.518 1.808 780 HD2 HIS 128 HD2 HIS 128 1.159 1.018 4.989 781 HE1 HIS 128 HE1 HIS 128 4.068 -1.530 3.245 782 HE2 HIS 128 HE2 HIS 128 3.552 0.050 5.137 783 H LEU 129 HN LEU 129 -0.900 2.566 0.602 784 HA LEU 129 HA LEU 129 1.637 3.796 0.598 785 HB2 LEU 129 HB2 LEU 129 0.241 3.343 -1.415 786 HB3 LEU 129 HB3 LEU 129 -0.843 4.629 -0.919 787 HG LEU 129 HG LEU 129 1.009 6.251 -1.145 788 HD11 LEU 129 HD11 LEU 129 2.886 4.759 -0.742 789 HD12 LEU 129 HD12 LEU 129 3.062 5.579 -2.292 790 HD13 LEU 129 HD13 LEU 129 2.539 3.896 -2.241 791 HD21 LEU 129 HD21 LEU 129 -0.552 5.871 -2.985 792 HD22 LEU 129 HD22 LEU 129 0.495 4.597 -3.610 793 HD23 LEU 129 HD23 LEU 129 1.062 6.267 -3.577 794 H GLU 130 HN GLU 130 -1.602 5.076 1.402 795 HA GLU 130 HA GLU 130 -0.701 7.681 1.974 796 HB2 GLU 130 HB2 GLU 130 -3.185 6.237 2.891 797 HB3 GLU 130 HB3 GLU 130 -2.890 7.946 3.169 798 HG2 GLU 130 HG2 GLU 130 -3.216 6.581 0.508 799 HG3 GLU 130 HG3 GLU 130 -4.358 7.669 1.290 800 H ILE 131 HN ILE 131 -0.992 4.756 3.871 801 HA ILE 131 HA ILE 131 -0.692 5.822 6.438 802 HB ILE 131 HB ILE 131 0.062 3.136 5.288 803 HG12 ILE 131 HG12 ILE 131 -2.098 3.873 7.269 804 HG13 ILE 131 HG13 ILE 131 -2.358 3.811 5.530 805 HG21 ILE 131 HG21 ILE 131 1.577 3.504 7.120 806 HG22 ILE 131 HG22 ILE 131 0.344 2.340 7.607 807 HG23 ILE 131 HG23 ILE 131 0.248 4.011 8.165 808 HD11 ILE 131 HD11 ILE 131 -1.539 1.512 7.289 809 HD12 ILE 131 HD12 ILE 131 -1.748 1.437 5.540 810 HD13 ILE 131 HD13 ILE 131 -3.131 1.780 6.579 811 H LEU 132 HN LEU 132 1.721 4.791 4.054 812 HA LEU 132 HA LEU 132 4.032 5.191 5.615 813 HB2 LEU 132 HB2 LEU 132 3.612 5.363 2.634 814 HB3 LEU 132 HB3 LEU 132 5.186 5.403 3.403 815 HG LEU 132 HG LEU 132 3.255 3.092 3.623 816 HD11 LEU 132 HD11 LEU 132 4.738 1.940 2.054 817 HD12 LEU 132 HD12 LEU 132 5.672 3.423 1.852 818 HD13 LEU 132 HD13 LEU 132 3.992 3.360 1.321 819 HD21 LEU 132 HD21 LEU 132 5.240 1.886 4.443 820 HD22 LEU 132 HD22 LEU 132 4.788 3.227 5.494 821 HD23 LEU 132 HD23 LEU 132 6.157 3.393 4.394 822 H GLN 133 HN GLN 133 2.139 7.367 3.574 823 HA GLN 133 HA GLN 133 3.873 9.593 3.643 824 HB2 GLN 133 HB2 GLN 133 0.879 9.512 3.289 825 HB3 GLN 133 HB3 GLN 133 1.919 10.877 2.907 826 HG2 GLN 133 HG2 GLN 133 3.034 9.592 1.193 827 HG3 GLN 133 HG3 GLN 133 2.086 8.167 1.615 828 HE21 GLN 133 HE21 GLN 133 1.276 8.011 -0.474 829 HE22 GLN 133 HE22 GLN 133 0.066 9.088 -1.070 830 H LYS 134 HN LYS 134 0.996 8.795 5.574 831 HA LYS 134 HA LYS 134 1.105 11.082 7.233 832 HB2 LYS 134 HB2 LYS 134 -0.171 8.393 7.747 833 HB3 LYS 134 HB3 LYS 134 -0.489 9.864 8.657 834 HG2 LYS 134 HG2 LYS 134 -1.410 10.922 6.680 835 HG3 LYS 134 HG3 LYS 134 -1.029 9.494 5.717 836 HD2 LYS 134 HD2 LYS 134 -2.521 8.175 7.231 837 HD3 LYS 134 HD3 LYS 134 -2.995 9.693 7.995 838 HE2 LYS 134 HE2 LYS 134 -3.321 9.047 5.066 839 HE3 LYS 134 HE3 LYS 134 -4.599 8.938 6.275 840 HZ1 LYS 134 HZ1 LYS 134 -4.309 11.328 6.692 841 HZ2 LYS 134 HZ2 LYS 134 -4.764 11.010 5.095 842 HZ3 LYS 134 HZ3 LYS 134 -3.160 11.404 5.452 843 H GLU 135 HN GLU 135 2.205 7.736 7.721 844 HA GLU 135 HA GLU 135 3.186 8.022 10.324 845 HB2 GLU 135 HB2 GLU 135 2.880 5.844 9.227 846 HB3 GLU 135 HB3 GLU 135 4.195 6.211 8.120 847 HG2 GLU 135 HG2 GLU 135 5.752 6.286 10.015 848 HG3 GLU 135 HG3 GLU 135 4.427 5.873 11.104 849 H ASP 136 HN ASP 136 4.711 8.628 7.201 850 HA ASP 136 HA ASP 136 6.911 9.995 8.603 851 HB2 ASP 136 HB2 ASP 136 7.152 8.431 6.021 852 HB3 ASP 136 HB3 ASP 136 8.458 9.250 6.872 853 H VAL 137 HN VAL 137 5.500 11.872 8.340 854 HA VAL 137 HA VAL 137 4.838 12.842 5.738 855 HB VAL 137 HB VAL 137 4.358 15.018 6.949 856 HG11 VAL 137 HG11 VAL 137 2.610 13.418 6.467 857 HG12 VAL 137 HG12 VAL 137 2.352 14.128 8.062 858 HG13 VAL 137 HG13 VAL 137 3.014 12.499 7.917 859 HG21 VAL 137 HG21 VAL 137 5.927 14.656 8.829 860 HG22 VAL 137 HG22 VAL 137 4.893 13.352 9.411 861 HG23 VAL 137 HG23 VAL 137 4.284 15.006 9.366 862 H LYS 138 HN LYS 138 6.910 12.686 4.699 863 HA LYS 138 HA LYS 138 8.488 15.123 5.051 864 HB2 LYS 138 HB2 LYS 138 9.796 12.418 4.747 865 HB3 LYS 138 HB3 LYS 138 10.595 13.962 4.997 866 HG2 LYS 138 HG2 LYS 138 9.729 14.104 7.237 867 HG3 LYS 138 HG3 LYS 138 8.773 12.641 6.995 868 HD2 LYS 138 HD2 LYS 138 10.887 11.390 6.621 869 HD3 LYS 138 HD3 LYS 138 11.782 12.857 7.020 870 HE2 LYS 138 HE2 LYS 138 11.681 11.456 8.970 871 HE3 LYS 138 HE3 LYS 138 10.670 12.875 9.236 872 HZ1 LYS 138 HZ1 LYS 138 9.683 10.193 8.418 873 HZ2 LYS 138 HZ2 LYS 138 8.722 11.553 8.722 874 HZ3 LYS 138 HZ3 LYS 138 9.593 10.836 9.980 Start of MODEL 12 1 H HIS 28 H1 HIS 28 -16.748 -2.934 8.324 2 HA HIS 28 HA HIS 28 -17.698 -4.824 9.484 3 HB2 HIS 28 HB2 HIS 28 -15.781 -5.316 10.932 4 HB3 HIS 28 HB3 HIS 28 -16.037 -3.809 11.803 5 HD1 HIS 28 HD1 HIS 28 -17.298 -7.296 11.513 6 HD2 HIS 28 HD2 HIS 28 -18.239 -3.817 13.580 7 HE1 HIS 28 HE1 HIS 28 -18.919 -7.995 13.303 8 HE2 HIS 28 HE2 HIS 28 -19.397 -5.891 14.602 9 H MET 29 HN MET 29 -16.965 -1.723 11.101 10 HA MET 29 HA MET 29 -18.291 -0.048 11.865 11 HB2 MET 29 HB2 MET 29 -20.379 -1.235 10.021 12 HB3 MET 29 HB3 MET 29 -20.427 0.369 10.738 13 HG2 MET 29 HG2 MET 29 -18.376 -0.622 8.770 14 HG3 MET 29 HG3 MET 29 -19.732 0.444 8.409 15 HE1 MET 29 HE1 MET 29 -18.081 2.198 7.289 16 HE2 MET 29 HE2 MET 29 -16.720 1.130 7.635 17 HE3 MET 29 HE3 MET 29 -16.643 2.833 8.089 18 H GLU 30 HN GLU 30 -18.281 -0.935 13.967 19 HA GLU 30 HA GLU 30 -20.282 -2.798 14.821 20 HB2 GLU 30 HB2 GLU 30 -17.994 -2.525 15.852 21 HB3 GLU 30 HB3 GLU 30 -18.569 -1.026 16.566 22 HG2 GLU 30 HG2 GLU 30 -18.657 -2.883 18.144 23 HG3 GLU 30 HG3 GLU 30 -20.260 -2.230 17.810 24 H CYS 31 HN CYS 31 -19.850 0.713 15.078 25 HA CYS 31 HA CYS 31 -22.105 1.178 16.732 26 HB2 CYS 31 HB2 CYS 31 -20.697 3.056 14.822 27 HB3 CYS 31 HB3 CYS 31 -21.857 3.541 16.053 28 HG CYS 31 HG CYS 31 -18.694 3.457 16.361 29 H ALA 32 HN ALA 32 -21.643 1.198 13.215 30 HA ALA 32 HA ALA 32 -24.252 2.107 12.569 31 HB1 ALA 32 HB1 ALA 32 -22.380 0.474 10.858 32 HB2 ALA 32 HB2 ALA 32 -22.336 2.230 11.017 33 HB3 ALA 32 HB3 ALA 32 -23.744 1.444 10.301 34 H ASP 33 HN ASP 33 -22.813 -1.142 12.760 35 HA ASP 33 HA ASP 33 -25.512 -2.244 13.064 36 HB2 ASP 33 HB2 ASP 33 -24.856 -4.190 11.624 37 HB3 ASP 33 HB3 ASP 33 -25.018 -2.670 10.752 38 H VAL 34 HN VAL 34 -25.694 -3.667 14.680 39 HA VAL 34 HA VAL 34 -23.209 -4.633 15.936 40 HB VAL 34 HB VAL 34 -25.904 -4.215 17.245 41 HG11 VAL 34 HG11 VAL 34 -24.663 -4.595 19.348 42 HG12 VAL 34 HG12 VAL 34 -23.235 -5.013 18.402 43 HG13 VAL 34 HG13 VAL 34 -24.683 -6.015 18.300 44 HG21 VAL 34 HG21 VAL 34 -24.834 -2.344 18.411 45 HG22 VAL 34 HG22 VAL 34 -24.854 -2.093 16.666 46 HG23 VAL 34 HG23 VAL 34 -23.366 -2.597 17.466 47 HA PRO 35 HA PRO 35 -25.163 -8.484 14.431 48 HB2 PRO 35 HB2 PRO 35 -22.868 -9.786 13.886 49 HB3 PRO 35 HB3 PRO 35 -23.551 -8.585 12.784 50 HG2 PRO 35 HG2 PRO 35 -21.312 -8.302 14.743 51 HG3 PRO 35 HG3 PRO 35 -21.447 -7.664 13.096 52 HD2 PRO 35 HD2 PRO 35 -21.911 -6.186 15.360 53 HD3 PRO 35 HD3 PRO 35 -22.626 -5.829 13.777 54 H LEU 36 HN LEU 36 -24.366 -10.885 15.026 55 HA LEU 36 HA LEU 36 -24.842 -11.287 17.718 56 HB2 LEU 36 HB2 LEU 36 -25.049 -13.028 15.990 57 HB3 LEU 36 HB3 LEU 36 -23.302 -13.087 15.844 58 HG LEU 36 HG LEU 36 -23.162 -13.866 18.197 59 HD11 LEU 36 HD11 LEU 36 -25.243 -12.903 19.028 60 HD12 LEU 36 HD12 LEU 36 -25.187 -14.642 19.319 61 HD13 LEU 36 HD13 LEU 36 -26.168 -14.000 18.001 62 HD21 LEU 36 HD21 LEU 36 -24.004 -16.131 17.760 63 HD22 LEU 36 HD22 LEU 36 -23.128 -15.471 16.379 64 HD23 LEU 36 HD23 LEU 36 -24.891 -15.521 16.363 65 H LEU 37 HN LEU 37 -21.716 -11.212 16.041 66 HA LEU 37 HA LEU 37 -20.333 -11.243 18.623 67 HB2 LEU 37 HB2 LEU 37 -18.273 -11.543 17.252 68 HB3 LEU 37 HB3 LEU 37 -19.447 -12.833 17.091 69 HG LEU 37 HG LEU 37 -20.211 -11.663 14.947 70 HD11 LEU 37 HD11 LEU 37 -18.413 -10.308 13.864 71 HD12 LEU 37 HD12 LEU 37 -17.619 -10.213 15.436 72 HD13 LEU 37 HD13 LEU 37 -19.221 -9.512 15.212 73 HD21 LEU 37 HD21 LEU 37 -17.423 -12.804 15.061 74 HD22 LEU 37 HD22 LEU 37 -18.456 -12.712 13.635 75 HD23 LEU 37 HD23 LEU 37 -18.916 -13.740 14.991 76 H TPO 38 HN TPO 38 -18.336 -9.805 18.735 77 HA TPO 38 HA TPO 38 -18.619 -7.268 17.341 78 HB TPO 38 HB TPO 38 -18.919 -7.584 20.328 79 HG21 TPO 38 HG21 TPO 38 -17.574 -5.433 18.974 80 HG22 TPO 38 HG22 TPO 38 -17.858 -5.672 20.699 81 HG23 TPO 38 HG23 TPO 38 -19.073 -4.862 19.709 82 HA PRO 39 HA PRO 39 -14.209 -8.271 17.814 83 HB2 PRO 39 HB2 PRO 39 -13.424 -7.324 15.433 84 HB3 PRO 39 HB3 PRO 39 -14.264 -8.873 15.578 85 HG2 PRO 39 HG2 PRO 39 -15.341 -6.205 14.761 86 HG3 PRO 39 HG3 PRO 39 -15.667 -7.803 14.068 87 HD2 PRO 39 HD2 PRO 39 -17.328 -6.519 15.842 88 HD3 PRO 39 HD3 PRO 39 -17.274 -8.277 15.622 89 H SER 40 HN SER 40 -12.237 -6.916 17.705 90 HA SER 40 HA SER 40 -12.826 -4.197 18.612 91 HB2 SER 40 HB2 SER 40 -10.291 -5.842 18.808 92 HB3 SER 40 HB3 SER 40 -10.489 -4.213 19.453 93 HG SER 40 HG SER 40 -10.919 -6.282 20.801 94 H SEP 41 HN SEP 41 -13.063 -2.952 16.823 95 HA SEP 41 HA SEP 41 -11.636 -3.140 14.433 96 HB2 SEP 41 HB2 SEP 41 -13.312 -1.049 15.726 97 HB3 SEP 41 HB3 SEP 41 -12.282 -0.544 14.382 98 H LYS 42 HN LYS 42 -10.808 -1.517 17.430 99 HA LYS 42 HA LYS 42 -8.678 0.053 16.379 100 HB2 LYS 42 HB2 LYS 42 -8.955 -0.929 19.222 101 HB3 LYS 42 HB3 LYS 42 -8.074 0.485 18.662 102 HG2 LYS 42 HG2 LYS 42 -11.065 0.127 18.581 103 HG3 LYS 42 HG3 LYS 42 -10.167 1.099 19.746 104 HD2 LYS 42 HD2 LYS 42 -9.408 2.578 17.994 105 HD3 LYS 42 HD3 LYS 42 -10.154 1.557 16.764 106 HE2 LYS 42 HE2 LYS 42 -11.550 3.489 17.188 107 HE3 LYS 42 HE3 LYS 42 -12.363 2.026 17.741 108 HZ1 LYS 42 HZ1 LYS 42 -11.730 2.549 20.000 109 HZ2 LYS 42 HZ2 LYS 42 -12.562 3.857 19.327 110 HZ3 LYS 42 HZ3 LYS 42 -10.880 3.919 19.488 111 H GLU 43 HN GLU 43 -8.850 -3.157 17.857 112 HA GLU 43 HA GLU 43 -6.046 -3.609 17.918 113 HB2 GLU 43 HB2 GLU 43 -7.830 -4.824 19.258 114 HB3 GLU 43 HB3 GLU 43 -8.196 -5.727 17.796 115 HG2 GLU 43 HG2 GLU 43 -5.479 -5.665 19.087 116 HG3 GLU 43 HG3 GLU 43 -6.702 -6.888 19.423 117 H MET 44 HN MET 44 -8.582 -4.396 15.567 118 HA MET 44 HA MET 44 -6.953 -5.967 13.861 119 HB2 MET 44 HB2 MET 44 -9.503 -4.444 13.304 120 HB3 MET 44 HB3 MET 44 -8.751 -5.559 12.171 121 HG2 MET 44 HG2 MET 44 -9.032 -7.379 13.779 122 HG3 MET 44 HG3 MET 44 -9.793 -6.260 14.908 123 HE1 MET 44 HE1 MET 44 -11.517 -4.444 12.967 124 HE2 MET 44 HE2 MET 44 -12.154 -5.097 14.476 125 HE3 MET 44 HE3 MET 44 -13.067 -5.287 12.979 126 H MET 45 HN MET 45 -7.764 -2.515 13.898 127 HA MET 45 HA MET 45 -6.611 -1.809 11.446 128 HB2 MET 45 HB2 MET 45 -7.143 -0.266 13.969 129 HB3 MET 45 HB3 MET 45 -6.340 0.490 12.599 130 HG2 MET 45 HG2 MET 45 -9.072 -0.772 12.570 131 HG3 MET 45 HG3 MET 45 -8.724 0.954 12.602 132 HE1 MET 45 HE1 MET 45 -6.198 1.096 10.595 133 HE2 MET 45 HE2 MET 45 -7.530 2.251 10.624 134 HE3 MET 45 HE3 MET 45 -7.045 1.502 9.102 135 H SER 46 HN SER 46 -5.148 -2.028 14.684 136 HA SER 46 HA SER 46 -2.598 -1.100 13.689 137 HB2 SER 46 HB2 SER 46 -3.325 -2.279 16.392 138 HB3 SER 46 HB3 SER 46 -1.784 -1.519 15.991 139 HG SER 46 HG SER 46 -4.259 -0.375 16.491 140 H GLN 47 HN GLN 47 -4.158 -4.169 14.299 141 HA GLN 47 HA GLN 47 -2.019 -5.917 14.473 142 HB2 GLN 47 HB2 GLN 47 -4.382 -6.565 14.742 143 HB3 GLN 47 HB3 GLN 47 -4.625 -6.370 13.013 144 HG2 GLN 47 HG2 GLN 47 -4.364 -8.709 13.616 145 HG3 GLN 47 HG3 GLN 47 -3.054 -8.167 12.567 146 HE21 GLN 47 HE21 GLN 47 -3.929 -9.215 15.764 147 HE22 GLN 47 HE22 GLN 47 -2.321 -9.452 16.346 148 H ALA 48 HN ALA 48 -3.692 -4.830 11.514 149 HA ALA 48 HA ALA 48 -1.943 -6.165 9.725 150 HB1 ALA 48 HB1 ALA 48 -3.033 -4.875 7.979 151 HB2 ALA 48 HB2 ALA 48 -3.749 -3.812 9.191 152 HB3 ALA 48 HB3 ALA 48 -4.226 -5.509 9.114 153 H LEU 49 HN LEU 49 -1.983 -2.894 11.068 154 HA LEU 49 HA LEU 49 -0.053 -1.725 9.423 155 HB2 LEU 49 HB2 LEU 49 -0.868 -1.216 12.272 156 HB3 LEU 49 HB3 LEU 49 0.387 -0.268 11.495 157 HG LEU 49 HG LEU 49 -2.436 -0.501 10.450 158 HD11 LEU 49 HD11 LEU 49 -2.776 1.746 11.344 159 HD12 LEU 49 HD12 LEU 49 -1.172 1.702 12.076 160 HD13 LEU 49 HD13 LEU 49 -2.425 0.592 12.631 161 HD21 LEU 49 HD21 LEU 49 -0.161 1.352 9.746 162 HD22 LEU 49 HD22 LEU 49 -1.801 1.449 9.104 163 HD23 LEU 49 HD23 LEU 49 -0.794 0.046 8.743 164 H LYS 50 HN LYS 50 0.340 -3.560 12.443 165 HA LYS 50 HA LYS 50 3.194 -3.251 12.467 166 HB2 LYS 50 HB2 LYS 50 1.439 -5.150 14.029 167 HB3 LYS 50 HB3 LYS 50 3.138 -4.834 14.349 168 HG2 LYS 50 HG2 LYS 50 0.858 -2.884 14.604 169 HG3 LYS 50 HG3 LYS 50 1.782 -3.616 15.915 170 HD2 LYS 50 HD2 LYS 50 2.923 -1.784 13.804 171 HD3 LYS 50 HD3 LYS 50 2.464 -1.288 15.433 172 HE2 LYS 50 HE2 LYS 50 4.104 -2.855 16.364 173 HE3 LYS 50 HE3 LYS 50 4.569 -3.333 14.732 174 HZ1 LYS 50 HZ1 LYS 50 5.274 -1.050 14.316 175 HZ2 LYS 50 HZ2 LYS 50 6.108 -1.715 15.628 176 HZ3 LYS 50 HZ3 LYS 50 4.853 -0.613 15.895 177 H ALA 51 HN ALA 51 0.957 -5.851 11.561 178 HA ALA 51 HA ALA 51 2.909 -7.831 11.089 179 HB1 ALA 51 HB1 ALA 51 0.181 -7.580 9.823 180 HB2 ALA 51 HB2 ALA 51 0.515 -8.311 11.394 181 HB3 ALA 51 HB3 ALA 51 1.162 -9.042 9.925 182 H THR 52 HN THR 52 1.371 -5.494 8.875 183 HA THR 52 HA THR 52 2.670 -6.504 6.546 184 HB THR 52 HB THR 52 1.416 -3.783 6.961 185 HG1 THR 52 HG1 THR 52 -0.312 -5.027 7.117 186 HG21 THR 52 HG21 THR 52 2.844 -3.838 4.995 187 HG22 THR 52 HG22 THR 52 1.150 -3.818 4.508 188 HG23 THR 52 HG23 THR 52 2.066 -5.322 4.446 189 H PHE 53 HN PHE 53 3.226 -3.575 8.530 190 HA PHE 53 HA PHE 53 5.405 -2.579 7.156 191 HB2 PHE 53 HB2 PHE 53 4.428 -2.313 9.950 192 HB3 PHE 53 HB3 PHE 53 6.067 -1.769 9.610 193 HD1 PHE 53 HD2 PHE 53 2.606 -1.450 8.247 194 HD2 PHE 53 HD1 PHE 53 6.387 0.392 8.897 195 HE1 PHE 53 HE2 PHE 53 1.724 0.664 7.353 196 HE2 PHE 53 HE1 PHE 53 5.512 2.508 8.001 197 HZ PHE 53 HZ PHE 53 3.179 2.647 7.226 198 H SER 54 HN SER 54 5.409 -5.090 9.697 199 HA SER 54 HA SER 54 8.167 -5.257 10.058 200 HB2 SER 54 HB2 SER 54 6.052 -7.417 10.238 201 HB3 SER 54 HB3 SER 54 7.718 -7.625 10.778 202 HG SER 54 HG SER 54 6.427 -7.004 12.515 203 H GLY 55 HN GLY 55 6.093 -6.900 7.673 204 HA2 GLY 55 HA2 GLY 55 8.295 -8.333 6.487 205 HA3 GLY 55 HA1 GLY 55 6.653 -8.241 5.868 206 H PHE 56 HN PHE 56 6.932 -5.208 6.122 207 HA PHE 56 HA PHE 56 7.824 -4.775 3.412 208 HB2 PHE 56 HB2 PHE 56 5.865 -3.566 4.353 209 HB3 PHE 56 HB3 PHE 56 6.943 -2.731 5.466 210 HD1 PHE 56 HD1 PHE 56 7.541 -3.500 1.885 211 HD2 PHE 56 HD2 PHE 56 6.722 -0.503 4.795 212 HE1 PHE 56 HE1 PHE 56 7.936 -1.759 0.195 213 HE2 PHE 56 HE2 PHE 56 7.116 1.245 3.107 214 HZ PHE 56 HZ PHE 56 7.725 0.616 0.804 215 H THR 57 HN THR 57 8.851 -3.638 6.627 216 HA THR 57 HA THR 57 11.085 -2.171 5.881 217 HB THR 57 HB THR 57 10.751 -3.827 8.390 218 HG1 THR 57 HG1 THR 57 9.271 -2.376 8.807 219 HG21 THR 57 HG21 THR 57 13.060 -3.152 8.119 220 HG22 THR 57 HG22 THR 57 12.315 -2.178 9.385 221 HG23 THR 57 HG23 THR 57 12.571 -1.492 7.780 222 H LYS 58 HN LYS 58 10.732 -5.654 6.203 223 HA LYS 58 HA LYS 58 13.440 -6.364 6.227 224 HB2 LYS 58 HB2 LYS 58 11.061 -7.830 5.076 225 HB3 LYS 58 HB3 LYS 58 12.659 -8.542 5.252 226 HG2 LYS 58 HG2 LYS 58 10.927 -7.520 7.489 227 HG3 LYS 58 HG3 LYS 58 11.177 -9.211 7.060 228 HD2 LYS 58 HD2 LYS 58 13.567 -8.975 7.560 229 HD3 LYS 58 HD3 LYS 58 13.307 -7.284 7.991 230 HE2 LYS 58 HE2 LYS 58 13.405 -8.620 9.998 231 HE3 LYS 58 HE3 LYS 58 11.767 -8.007 9.778 232 HZ1 LYS 58 HZ1 LYS 58 12.678 -10.741 9.054 233 HZ2 LYS 58 HZ2 LYS 58 11.100 -10.149 8.917 234 HZ3 LYS 58 HZ3 LYS 58 11.800 -10.342 10.444 235 H GLU 59 HN GLU 59 11.299 -5.460 3.607 236 HA GLU 59 HA GLU 59 13.226 -6.105 1.543 237 HB2 GLU 59 HB2 GLU 59 10.816 -6.311 1.105 238 HB3 GLU 59 HB3 GLU 59 10.599 -4.597 1.433 239 HG2 GLU 59 HG2 GLU 59 12.005 -4.053 -0.488 240 HG3 GLU 59 HG3 GLU 59 12.216 -5.771 -0.816 241 H GLN 60 HN GLN 60 11.915 -3.229 3.146 242 HA GLN 60 HA GLN 60 13.182 -1.246 1.673 243 HB2 GLN 60 HB2 GLN 60 12.563 -1.209 4.628 244 HB3 GLN 60 HB3 GLN 60 12.845 0.200 3.617 245 HG2 GLN 60 HG2 GLN 60 10.850 -0.448 2.279 246 HG3 GLN 60 HG3 GLN 60 10.546 -1.723 3.452 247 HE21 GLN 60 HE21 GLN 60 10.541 1.706 2.878 248 HE22 GLN 60 HE22 GLN 60 9.649 2.143 4.291 249 H GLN 61 HN GLN 61 14.473 -3.327 4.174 250 HA GLN 61 HA GLN 61 16.897 -1.757 4.476 251 HB2 GLN 61 HB2 GLN 61 17.569 -3.368 6.089 252 HB3 GLN 61 HB3 GLN 61 15.847 -3.111 6.329 253 HG2 GLN 61 HG2 GLN 61 15.368 -5.167 5.107 254 HG3 GLN 61 HG3 GLN 61 17.093 -5.429 4.870 255 HE21 GLN 61 HE21 GLN 61 15.165 -7.134 6.185 256 HE22 GLN 61 HE22 GLN 61 15.718 -7.345 7.809 257 H ARG 62 HN ARG 62 15.875 -4.586 2.672 258 HA ARG 62 HA ARG 62 18.486 -5.456 1.946 259 HB2 ARG 62 HB2 ARG 62 15.760 -6.011 0.785 260 HB3 ARG 62 HB3 ARG 62 17.231 -6.743 0.159 261 HG2 ARG 62 HG2 ARG 62 17.624 -7.898 2.198 262 HG3 ARG 62 HG3 ARG 62 16.354 -6.993 3.025 263 HD2 ARG 62 HD2 ARG 62 15.602 -9.242 2.457 264 HD3 ARG 62 HD3 ARG 62 14.673 -8.023 1.587 265 HE ARG 62 HE ARG 62 16.901 -9.018 0.083 266 HH11 ARG 62 HH11 ARG 62 13.573 -9.646 0.965 267 HH12 ARG 62 HH12 ARG 62 13.250 -10.597 -0.445 268 HH21 ARG 62 HH21 ARG 62 16.472 -10.268 -1.774 269 HH22 ARG 62 HH22 ARG 62 14.896 -10.951 -2.001 270 H LEU 63 HN LEU 63 16.090 -3.348 0.389 271 HA LEU 63 HA LEU 63 17.965 -2.835 -1.821 272 HB2 LEU 63 HB2 LEU 63 15.039 -2.176 -1.531 273 HB3 LEU 63 HB3 LEU 63 16.028 -1.789 -2.926 274 HG LEU 63 HG LEU 63 16.464 -4.406 -2.904 275 HD11 LEU 63 HD11 LEU 63 15.227 -4.899 -0.904 276 HD12 LEU 63 HD12 LEU 63 14.393 -5.600 -2.289 277 HD13 LEU 63 HD13 LEU 63 13.789 -4.115 -1.556 278 HD21 LEU 63 HD21 LEU 63 14.609 -4.641 -4.498 279 HD22 LEU 63 HD22 LEU 63 15.536 -3.165 -4.767 280 HD23 LEU 63 HD23 LEU 63 13.968 -3.087 -3.962 281 H GLY 64 HN GLY 64 16.460 -1.285 0.941 282 HA2 GLY 64 HA2 GLY 64 17.426 0.664 1.915 283 HA3 GLY 64 HA1 GLY 64 18.011 1.134 0.328 284 H ILE 65 HN ILE 65 14.807 0.035 0.223 285 HA ILE 65 HA ILE 65 13.723 2.426 -0.686 286 HB ILE 65 HB ILE 65 12.240 0.148 0.634 287 HG12 ILE 65 HG12 ILE 65 12.773 0.677 -2.299 288 HG13 ILE 65 HG13 ILE 65 13.629 -0.511 -1.325 289 HG21 ILE 65 HG21 ILE 65 11.245 2.340 -1.182 290 HG22 ILE 65 HG22 ILE 65 10.887 2.162 0.535 291 HG23 ILE 65 HG23 ILE 65 10.294 0.966 -0.617 292 HD11 ILE 65 HD11 ILE 65 10.673 -0.532 -1.885 293 HD12 ILE 65 HD12 ILE 65 11.580 -1.751 -0.988 294 HD13 ILE 65 HD13 ILE 65 11.884 -1.515 -2.709 295 HA PRO 66 HA PRO 66 13.413 4.692 3.173 296 HB2 PRO 66 HB2 PRO 66 11.925 6.649 1.563 297 HB3 PRO 66 HB3 PRO 66 13.446 6.841 2.435 298 HG2 PRO 66 HG2 PRO 66 13.340 6.772 -0.252 299 HG3 PRO 66 HG3 PRO 66 14.714 6.114 0.657 300 HD2 PRO 66 HD2 PRO 66 12.420 4.675 -0.621 301 HD3 PRO 66 HD3 PRO 66 14.139 4.236 -0.571 302 H LYS 67 HN LYS 67 11.618 5.779 4.407 303 HA LYS 67 HA LYS 67 9.171 4.205 4.138 304 HB2 LYS 67 HB2 LYS 67 10.235 5.939 6.365 305 HB3 LYS 67 HB3 LYS 67 8.642 5.195 6.400 306 HG2 LYS 67 HG2 LYS 67 9.730 2.976 6.181 307 HG3 LYS 67 HG3 LYS 67 11.297 3.779 6.303 308 HD2 LYS 67 HD2 LYS 67 10.686 2.921 8.469 309 HD3 LYS 67 HD3 LYS 67 10.608 4.683 8.509 310 HE2 LYS 67 HE2 LYS 67 8.179 4.578 8.208 311 HE3 LYS 67 HE3 LYS 67 8.258 2.818 8.165 312 HZ1 LYS 67 HZ1 LYS 67 7.602 3.624 10.343 313 HZ2 LYS 67 HZ2 LYS 67 9.026 4.527 10.471 314 HZ3 LYS 67 HZ3 LYS 67 9.097 2.838 10.431 315 H ASP 68 HN ASP 68 10.233 7.170 3.054 316 HA ASP 68 HA ASP 68 7.652 8.501 3.408 317 HB2 ASP 68 HB2 ASP 68 9.944 9.631 3.821 318 HB3 ASP 68 HB3 ASP 68 10.048 9.722 2.066 319 HA PRO 69 HA PRO 69 6.668 6.907 -0.727 320 HB2 PRO 69 HB2 PRO 69 4.122 7.930 -0.708 321 HB3 PRO 69 HB3 PRO 69 4.572 6.393 0.040 322 HG2 PRO 69 HG2 PRO 69 4.206 9.081 1.305 323 HG3 PRO 69 HG3 PRO 69 3.668 7.491 1.879 324 HD2 PRO 69 HD2 PRO 69 5.851 8.686 2.883 325 HD3 PRO 69 HD3 PRO 69 5.771 6.926 2.666 326 H ARG 70 HN ARG 70 6.372 10.238 0.452 327 HA ARG 70 HA ARG 70 5.951 11.336 -2.175 328 HB2 ARG 70 HB2 ARG 70 6.759 12.687 0.412 329 HB3 ARG 70 HB3 ARG 70 6.357 13.531 -1.076 330 HG2 ARG 70 HG2 ARG 70 4.339 13.670 -0.078 331 HG3 ARG 70 HG3 ARG 70 4.133 12.083 -0.819 332 HD2 ARG 70 HD2 ARG 70 3.420 11.889 1.438 333 HD3 ARG 70 HD3 ARG 70 4.983 11.087 1.327 334 HE ARG 70 HE ARG 70 5.015 13.862 2.185 335 HH11 ARG 70 HH11 ARG 70 5.084 10.493 3.131 336 HH12 ARG 70 HH12 ARG 70 5.738 10.819 4.699 337 HH21 ARG 70 HH21 ARG 70 5.878 14.284 4.248 338 HH22 ARG 70 HH22 ARG 70 6.196 12.972 5.331 339 H GLN 71 HN GLN 71 8.702 10.755 -0.061 340 HA GLN 71 HA GLN 71 10.544 11.911 -2.010 341 HB2 GLN 71 HB2 GLN 71 11.045 10.735 0.725 342 HB3 GLN 71 HB3 GLN 71 12.274 11.464 -0.298 343 HG2 GLN 71 HG2 GLN 71 11.071 13.601 -0.193 344 HG3 GLN 71 HG3 GLN 71 9.881 12.861 0.877 345 HE21 GLN 71 HE21 GLN 71 10.481 12.314 2.987 346 HE22 GLN 71 HE22 GLN 71 11.883 12.986 3.738 347 H TRP 72 HN TRP 72 9.135 9.680 -2.908 348 HA TRP 72 HA TRP 72 11.141 7.518 -2.905 349 HB2 TRP 72 HB2 TRP 72 8.193 7.613 -3.013 350 HB3 TRP 72 HB3 TRP 72 8.914 6.511 -4.175 351 HD1 TRP 72 HD1 TRP 72 10.967 6.646 -1.076 352 HE1 TRP 72 HE1 TRP 72 10.505 4.567 0.369 353 HE3 TRP 72 HE3 TRP 72 6.807 4.904 -3.473 354 HZ2 TRP 72 HZ2 TRP 72 8.619 2.467 0.479 355 HZ3 TRP 72 HZ3 TRP 72 5.732 2.856 -2.638 356 HH2 TRP 72 HH2 TRP 72 6.622 1.665 -0.703 357 H THR 73 HN THR 73 11.198 6.304 -5.097 358 HA THR 73 HA THR 73 10.818 8.133 -7.313 359 HB THR 73 HB THR 73 12.913 7.463 -8.366 360 HG1 THR 73 HG1 THR 73 13.691 5.602 -7.731 361 HG21 THR 73 HG21 THR 73 14.498 8.492 -6.832 362 HG22 THR 73 HG22 THR 73 13.364 8.282 -5.497 363 HG23 THR 73 HG23 THR 73 12.973 9.377 -6.823 364 H GLU 74 HN GLU 74 11.302 6.729 -9.504 365 HA GLU 74 HA GLU 74 9.133 5.047 -9.795 366 HB2 GLU 74 HB2 GLU 74 11.167 5.999 -11.445 367 HB3 GLU 74 HB3 GLU 74 11.308 4.249 -11.545 368 HG2 GLU 74 HG2 GLU 74 8.810 5.844 -12.062 369 HG3 GLU 74 HG3 GLU 74 9.867 5.156 -13.292 370 H THR 75 HN THR 75 12.461 4.204 -8.918 371 HA THR 75 HA THR 75 12.164 1.415 -9.053 372 HB THR 75 HB THR 75 14.027 2.971 -7.242 373 HG1 THR 75 HG1 THR 75 15.016 3.461 -9.039 374 HG21 THR 75 HG21 THR 75 15.439 0.954 -7.372 375 HG22 THR 75 HG22 THR 75 14.168 0.138 -8.283 376 HG23 THR 75 HG23 THR 75 13.882 0.624 -6.612 377 H HIS 76 HN HIS 76 12.025 3.592 -6.224 378 HA HIS 76 HA HIS 76 11.311 1.631 -4.341 379 HB2 HIS 76 HB2 HIS 76 10.668 4.587 -4.286 380 HB3 HIS 76 HB3 HIS 76 10.592 3.498 -2.906 381 HD1 HIS 76 HD1 HIS 76 12.549 6.091 -3.584 382 HD2 HIS 76 HD2 HIS 76 13.531 2.066 -3.282 383 HE1 HIS 76 HE1 HIS 76 15.009 6.037 -3.075 384 HE2 HIS 76 HE2 HIS 76 15.555 3.595 -2.780 385 H VAL 77 HN VAL 77 9.342 3.689 -6.416 386 HA VAL 77 HA VAL 77 6.792 3.068 -5.355 387 HB VAL 77 HB VAL 77 7.674 3.991 -8.100 388 HG11 VAL 77 HG11 VAL 77 5.598 2.791 -8.411 389 HG12 VAL 77 HG12 VAL 77 5.284 4.524 -8.502 390 HG13 VAL 77 HG13 VAL 77 4.870 3.628 -7.041 391 HG21 VAL 77 HG21 VAL 77 6.308 5.393 -5.803 392 HG22 VAL 77 HG22 VAL 77 6.729 6.121 -7.353 393 HG23 VAL 77 HG23 VAL 77 8.001 5.567 -6.264 394 H ARG 78 HN ARG 78 8.560 1.757 -8.180 395 HA ARG 78 HA ARG 78 6.634 -0.209 -8.890 396 HB2 ARG 78 HB2 ARG 78 8.366 0.721 -10.416 397 HB3 ARG 78 HB3 ARG 78 9.600 -0.137 -9.506 398 HG2 ARG 78 HG2 ARG 78 8.137 -2.231 -10.064 399 HG3 ARG 78 HG3 ARG 78 7.528 -1.199 -11.361 400 HD2 ARG 78 HD2 ARG 78 10.406 -1.931 -10.848 401 HD3 ARG 78 HD3 ARG 78 9.389 -2.545 -12.147 402 HE ARG 78 HE ARG 78 9.442 -0.377 -13.154 403 HH11 ARG 78 HH11 ARG 78 11.633 -0.719 -10.431 404 HH12 ARG 78 HH12 ARG 78 12.638 0.599 -10.925 405 HH21 ARG 78 HH21 ARG 78 10.781 1.354 -13.787 406 HH22 ARG 78 HH22 ARG 78 12.157 1.774 -12.823 407 H ASP 79 HN ASP 79 9.725 -0.477 -7.083 408 HA ASP 79 HA ASP 79 9.546 -3.248 -6.700 409 HB2 ASP 79 HB2 ASP 79 11.582 -1.763 -6.297 410 HB3 ASP 79 HB3 ASP 79 10.866 -1.349 -4.743 411 H TRP 80 HN TRP 80 8.095 -0.572 -4.941 412 HA TRP 80 HA TRP 80 7.290 -2.155 -2.714 413 HB2 TRP 80 HB2 TRP 80 7.353 0.132 -2.186 414 HB3 TRP 80 HB3 TRP 80 6.528 0.596 -3.672 415 HD1 TRP 80 HD1 TRP 80 5.736 -1.083 -0.272 416 HE1 TRP 80 HE1 TRP 80 3.264 -0.637 0.282 417 HE3 TRP 80 HE3 TRP 80 4.355 1.301 -4.579 418 HZ2 TRP 80 HZ2 TRP 80 1.020 0.561 -0.948 419 HZ3 TRP 80 HZ3 TRP 80 2.029 2.065 -4.809 420 HH2 TRP 80 HH2 TRP 80 0.398 1.702 -3.029 421 H VAL 81 HN VAL 81 5.238 -0.570 -5.185 422 HA VAL 81 HA VAL 81 2.896 -1.833 -4.886 423 HB VAL 81 HB VAL 81 3.229 -0.169 -6.618 424 HG11 VAL 81 HG11 VAL 81 4.276 -0.639 -8.730 425 HG12 VAL 81 HG12 VAL 81 4.602 -2.301 -8.243 426 HG13 VAL 81 HG13 VAL 81 5.420 -0.967 -7.431 427 HG21 VAL 81 HG21 VAL 81 1.285 -1.671 -6.746 428 HG22 VAL 81 HG22 VAL 81 2.199 -2.738 -7.811 429 HG23 VAL 81 HG23 VAL 81 1.802 -1.101 -8.332 430 H MET 82 HN MET 82 5.626 -3.215 -6.730 431 HA MET 82 HA MET 82 4.403 -5.610 -7.508 432 HB2 MET 82 HB2 MET 82 6.604 -4.673 -8.321 433 HB3 MET 82 HB3 MET 82 7.327 -5.264 -6.831 434 HG2 MET 82 HG2 MET 82 6.933 -7.513 -7.416 435 HG3 MET 82 HG3 MET 82 5.856 -7.059 -8.735 436 HE1 MET 82 HE1 MET 82 7.420 -4.681 -10.135 437 HE2 MET 82 HE2 MET 82 6.640 -6.006 -11.000 438 HE3 MET 82 HE3 MET 82 8.310 -5.574 -11.369 439 H TRP 83 HN TRP 83 6.404 -4.893 -4.654 440 HA TRP 83 HA TRP 83 6.312 -7.444 -3.495 441 HB2 TRP 83 HB2 TRP 83 7.930 -5.786 -2.789 442 HB3 TRP 83 HB3 TRP 83 6.653 -4.724 -2.217 443 HD1 TRP 83 HD1 TRP 83 8.595 -7.864 -1.259 444 HE1 TRP 83 HE1 TRP 83 8.161 -8.382 1.223 445 HE3 TRP 83 HE3 TRP 83 4.902 -4.447 -0.353 446 HZ2 TRP 83 HZ2 TRP 83 6.468 -7.469 3.290 447 HZ3 TRP 83 HZ3 TRP 83 3.928 -4.334 1.904 448 HH2 TRP 83 HH2 TRP 83 4.696 -5.815 3.687 449 H ALA 84 HN ALA 84 4.144 -4.658 -3.175 450 HA ALA 84 HA ALA 84 2.523 -5.795 -1.121 451 HB1 ALA 84 HB1 ALA 84 2.660 -3.371 -1.530 452 HB2 ALA 84 HB2 ALA 84 0.997 -3.959 -1.561 453 HB3 ALA 84 HB3 ALA 84 1.832 -3.594 -3.071 454 H VAL 85 HN VAL 85 2.688 -6.234 -4.531 455 HA VAL 85 HA VAL 85 -0.028 -7.186 -4.839 456 HB VAL 85 HB VAL 85 2.328 -7.066 -6.717 457 HG11 VAL 85 HG11 VAL 85 1.165 -9.102 -7.275 458 HG12 VAL 85 HG12 VAL 85 0.784 -7.875 -8.483 459 HG13 VAL 85 HG13 VAL 85 -0.389 -8.271 -7.227 460 HG21 VAL 85 HG21 VAL 85 -0.386 -5.759 -6.845 461 HG22 VAL 85 HG22 VAL 85 0.990 -5.458 -7.906 462 HG23 VAL 85 HG23 VAL 85 1.065 -4.988 -6.210 463 H ASN 86 HN ASN 86 3.184 -8.496 -4.319 464 HA ASN 86 HA ASN 86 2.431 -11.227 -4.818 465 HB2 ASN 86 HB2 ASN 86 4.743 -10.452 -5.174 466 HB3 ASN 86 HB3 ASN 86 4.886 -10.087 -3.458 467 HD21 ASN 86 HD21 ASN 86 4.699 -12.608 -5.852 468 HD22 ASN 86 HD22 ASN 86 5.239 -13.892 -4.830 469 H GLU 87 HN GLU 87 2.840 -9.149 -1.984 470 HA GLU 87 HA GLU 87 2.500 -11.208 -0.044 471 HB2 GLU 87 HB2 GLU 87 2.125 -8.213 0.192 472 HB3 GLU 87 HB3 GLU 87 2.167 -9.333 1.545 473 HG2 GLU 87 HG2 GLU 87 4.433 -8.888 -0.384 474 HG3 GLU 87 HG3 GLU 87 4.288 -8.127 1.198 475 H PHE 88 HN PHE 88 0.290 -8.997 -1.696 476 HA PHE 88 HA PHE 88 -1.966 -10.158 -0.213 477 HB2 PHE 88 HB2 PHE 88 -1.686 -7.612 -1.798 478 HB3 PHE 88 HB3 PHE 88 -3.250 -8.234 -1.286 479 HD1 PHE 88 HD1 PHE 88 -0.015 -6.923 -0.098 480 HD2 PHE 88 HD2 PHE 88 -4.000 -7.995 0.942 481 HE1 PHE 88 HE1 PHE 88 0.261 -5.816 2.081 482 HE2 PHE 88 HE2 PHE 88 -3.732 -6.888 3.124 483 HZ PHE 88 HZ PHE 88 -1.599 -5.797 3.694 484 H SER 89 HN SER 89 -0.357 -10.944 -2.908 485 HA SER 89 HA SER 89 -0.845 -11.803 -4.971 486 HB2 SER 89 HB2 SER 89 -3.116 -12.951 -3.328 487 HB3 SER 89 HB3 SER 89 -2.600 -13.563 -4.899 488 HG SER 89 HG SER 89 -1.708 -14.414 -2.694 489 H LEU 90 HN LEU 90 -1.504 -9.308 -5.226 490 HA LEU 90 HA LEU 90 -4.272 -8.885 -5.782 491 HB2 LEU 90 HB2 LEU 90 -1.873 -7.162 -6.394 492 HB3 LEU 90 HB3 LEU 90 -3.541 -6.653 -6.564 493 HG LEU 90 HG LEU 90 -2.158 -7.379 -3.979 494 HD11 LEU 90 HD11 LEU 90 -3.186 -4.731 -4.988 495 HD12 LEU 90 HD12 LEU 90 -1.491 -5.212 -4.908 496 HD13 LEU 90 HD13 LEU 90 -2.428 -5.034 -3.425 497 HD21 LEU 90 HD21 LEU 90 -4.204 -6.763 -2.868 498 HD22 LEU 90 HD22 LEU 90 -4.537 -8.047 -4.030 499 HD23 LEU 90 HD23 LEU 90 -4.968 -6.380 -4.409 500 H LYS 91 HN LYS 91 -5.327 -9.191 -7.644 501 HA LYS 91 HA LYS 91 -3.742 -9.885 -10.026 502 HB2 LYS 91 HB2 LYS 91 -6.645 -10.565 -9.596 503 HB3 LYS 91 HB3 LYS 91 -5.525 -11.271 -10.752 504 HG2 LYS 91 HG2 LYS 91 -5.558 -11.655 -7.768 505 HG3 LYS 91 HG3 LYS 91 -5.899 -12.856 -9.015 506 HD2 LYS 91 HD2 LYS 91 -3.551 -12.596 -9.811 507 HD3 LYS 91 HD3 LYS 91 -3.248 -11.538 -8.429 508 HE2 LYS 91 HE2 LYS 91 -3.888 -13.376 -6.918 509 HE3 LYS 91 HE3 LYS 91 -4.109 -14.428 -8.317 510 HZ1 LYS 91 HZ1 LYS 91 -1.559 -13.137 -7.503 511 HZ2 LYS 91 HZ2 LYS 91 -1.766 -14.134 -8.854 512 HZ3 LYS 91 HZ3 LYS 91 -1.952 -14.770 -7.298 513 H GLY 92 HN GLY 92 -4.144 -8.946 -11.992 514 HA2 GLY 92 HA2 GLY 92 -5.240 -7.591 -13.553 515 HA3 GLY 92 HA1 GLY 92 -6.359 -7.086 -12.301 516 H VAL 93 HN VAL 93 -3.457 -6.676 -10.860 517 HA VAL 93 HA VAL 93 -3.515 -3.837 -11.252 518 HB VAL 93 HB VAL 93 -2.991 -4.862 -9.053 519 HG11 VAL 93 HG11 VAL 93 -1.581 -6.706 -10.038 520 HG12 VAL 93 HG12 VAL 93 -0.925 -5.921 -8.605 521 HG13 VAL 93 HG13 VAL 93 -0.287 -5.518 -10.198 522 HG21 VAL 93 HG21 VAL 93 -0.815 -3.104 -10.182 523 HG22 VAL 93 HG22 VAL 93 -1.170 -3.336 -8.471 524 HG23 VAL 93 HG23 VAL 93 -2.354 -2.557 -9.519 525 H ASP 94 HN ASP 94 -2.151 -2.564 -12.398 526 HA ASP 94 HA ASP 94 -0.154 -3.941 -14.067 527 HB2 ASP 94 HB2 ASP 94 -1.750 -1.433 -14.618 528 HB3 ASP 94 HB3 ASP 94 -0.484 -2.060 -15.665 529 H PHE 95 HN PHE 95 1.902 -3.190 -14.179 530 HA PHE 95 HA PHE 95 2.691 -1.216 -12.175 531 HB2 PHE 95 HB2 PHE 95 4.381 -3.006 -13.949 532 HB3 PHE 95 HB3 PHE 95 4.997 -1.961 -12.673 533 HD1 PHE 95 HD2 PHE 95 3.944 -2.360 -10.306 534 HD2 PHE 95 HD1 PHE 95 3.943 -5.215 -13.463 535 HE1 PHE 95 HE2 PHE 95 3.618 -4.164 -8.668 536 HE2 PHE 95 HE1 PHE 95 3.615 -7.025 -11.829 537 HZ PHE 95 HZ PHE 95 3.452 -6.501 -9.428 538 H GLN 96 HN GLN 96 2.379 -1.529 -15.631 539 HA GLN 96 HA GLN 96 4.028 0.586 -16.471 540 HB2 GLN 96 HB2 GLN 96 2.621 0.642 -18.487 541 HB3 GLN 96 HB3 GLN 96 3.046 -1.005 -18.045 542 HG2 GLN 96 HG2 GLN 96 0.817 -1.230 -16.969 543 HG3 GLN 96 HG3 GLN 96 0.406 0.366 -17.595 544 HE21 GLN 96 HE21 GLN 96 0.116 0.643 -19.821 545 HE22 GLN 96 HE22 GLN 96 -0.153 -0.698 -20.876 546 H LYS 97 HN LYS 97 0.789 0.510 -15.135 547 HA LYS 97 HA LYS 97 0.059 3.217 -15.629 548 HB2 LYS 97 HB2 LYS 97 -0.885 1.334 -13.457 549 HB3 LYS 97 HB3 LYS 97 -1.684 2.813 -13.971 550 HG2 LYS 97 HG2 LYS 97 -1.289 0.331 -15.630 551 HG3 LYS 97 HG3 LYS 97 -2.798 0.880 -14.902 552 HD2 LYS 97 HD2 LYS 97 -1.226 2.411 -16.975 553 HD3 LYS 97 HD3 LYS 97 -2.626 1.397 -17.322 554 HE2 LYS 97 HE2 LYS 97 -2.658 3.770 -15.461 555 HE3 LYS 97 HE3 LYS 97 -3.143 3.828 -17.154 556 HZ1 LYS 97 HZ1 LYS 97 -5.043 3.579 -15.671 557 HZ2 LYS 97 HZ2 LYS 97 -4.407 2.134 -15.065 558 HZ3 LYS 97 HZ3 LYS 97 -4.886 2.234 -16.684 559 H PHE 98 HN PHE 98 1.826 1.586 -13.037 560 HA PHE 98 HA PHE 98 2.028 4.101 -11.545 561 HB2 PHE 98 HB2 PHE 98 2.811 1.280 -10.772 562 HB3 PHE 98 HB3 PHE 98 2.988 2.693 -9.737 563 HD1 PHE 98 HD1 PHE 98 0.608 4.135 -9.800 564 HD2 PHE 98 HD2 PHE 98 1.093 -0.080 -10.127 565 HE1 PHE 98 HE1 PHE 98 -1.680 3.811 -8.962 566 HE2 PHE 98 HE2 PHE 98 -1.196 -0.412 -9.293 567 HZ PHE 98 HZ PHE 98 -2.586 1.538 -8.708 568 H CYS 99 HN CYS 99 3.465 3.840 -14.036 569 HA CYS 99 HA CYS 99 6.236 3.371 -13.306 570 HB2 CYS 99 HB2 CYS 99 5.388 2.659 -15.519 571 HB3 CYS 99 HB3 CYS 99 5.053 4.339 -15.923 572 HG CYS 99 HG CYS 99 7.986 2.687 -15.886 573 H MET 100 HN MET 100 5.985 5.125 -11.631 574 HA MET 100 HA MET 100 7.240 7.530 -12.620 575 HB2 MET 100 HB2 MET 100 5.597 9.106 -11.880 576 HB3 MET 100 HB3 MET 100 4.760 7.948 -12.905 577 HG2 MET 100 HG2 MET 100 4.151 6.751 -10.719 578 HG3 MET 100 HG3 MET 100 4.645 8.246 -9.928 579 HE1 MET 100 HE1 MET 100 2.067 6.442 -12.162 580 HE2 MET 100 HE2 MET 100 2.725 7.566 -13.352 581 HE3 MET 100 HE3 MET 100 1.066 7.755 -12.784 582 H SER 101 HN SER 101 7.690 9.062 -10.734 583 HA SER 101 HA SER 101 8.839 7.501 -8.598 584 HB2 SER 101 HB2 SER 101 8.768 10.503 -9.070 585 HB3 SER 101 HB3 SER 101 9.682 9.710 -7.788 586 HG SER 101 HG SER 101 11.150 9.167 -9.191 587 H GLY 102 HN GLY 102 8.600 8.210 -6.302 588 HA2 GLY 102 HA2 GLY 102 5.986 7.808 -5.413 589 HA3 GLY 102 HA1 GLY 102 7.312 8.388 -4.419 590 H ALA 103 HN ALA 103 7.829 10.844 -5.674 591 HA ALA 103 HA ALA 103 6.041 12.557 -4.417 592 HB1 ALA 103 HB1 ALA 103 8.280 13.234 -5.119 593 HB2 ALA 103 HB2 ALA 103 7.059 14.347 -5.736 594 HB3 ALA 103 HB3 ALA 103 7.784 13.150 -6.809 595 H ALA 104 HN ALA 104 6.045 11.344 -7.740 596 HA ALA 104 HA ALA 104 3.850 12.950 -8.628 597 HB1 ALA 104 HB1 ALA 104 4.937 10.386 -9.799 598 HB2 ALA 104 HB2 ALA 104 5.522 12.008 -10.169 599 HB3 ALA 104 HB3 ALA 104 3.879 11.542 -10.608 600 H LEU 105 HN LEU 105 4.202 9.569 -7.578 601 HA LEU 105 HA LEU 105 1.582 8.702 -7.964 602 HB2 LEU 105 HB2 LEU 105 3.706 7.395 -7.313 603 HB3 LEU 105 HB3 LEU 105 3.289 7.804 -5.660 604 HG LEU 105 HG LEU 105 1.101 6.662 -5.977 605 HD11 LEU 105 HD11 LEU 105 2.321 5.825 -8.604 606 HD12 LEU 105 HD12 LEU 105 0.901 6.847 -8.385 607 HD13 LEU 105 HD13 LEU 105 0.851 5.152 -7.900 608 HD21 LEU 105 HD21 LEU 105 3.579 5.017 -6.473 609 HD22 LEU 105 HD22 LEU 105 2.033 4.380 -5.917 610 HD23 LEU 105 HD23 LEU 105 2.939 5.505 -4.905 611 H CYS 106 HN CYS 106 3.039 10.187 -5.062 612 HA CYS 106 HA CYS 106 0.677 10.084 -3.499 613 HB2 CYS 106 HB2 CYS 106 3.095 11.892 -3.280 614 HB3 CYS 106 HB3 CYS 106 1.823 11.782 -2.068 615 HG CYS 106 HG CYS 106 3.339 8.892 -2.932 616 H ALA 107 HN ALA 107 2.053 12.550 -5.626 617 HA ALA 107 HA ALA 107 0.227 14.623 -5.089 618 HB1 ALA 107 HB1 ALA 107 2.331 14.977 -6.283 619 HB2 ALA 107 HB2 ALA 107 0.958 15.586 -7.206 620 HB3 ALA 107 HB3 ALA 107 1.713 14.055 -7.652 621 H LEU 108 HN LEU 108 0.058 11.854 -7.256 622 HA LEU 108 HA LEU 108 -2.116 12.592 -8.829 623 HB2 LEU 108 HB2 LEU 108 -1.056 9.934 -7.940 624 HB3 LEU 108 HB3 LEU 108 -2.494 10.037 -8.930 625 HG LEU 108 HG LEU 108 0.248 11.047 -9.687 626 HD11 LEU 108 HD11 LEU 108 -1.367 8.694 -10.657 627 HD12 LEU 108 HD12 LEU 108 0.130 8.634 -9.726 628 HD13 LEU 108 HD13 LEU 108 0.142 9.257 -11.375 629 HD21 LEU 108 HD21 LEU 108 -0.749 11.447 -11.898 630 HD22 LEU 108 HD22 LEU 108 -1.475 12.459 -10.648 631 HD23 LEU 108 HD23 LEU 108 -2.335 11.039 -11.243 632 H GLY 109 HN GLY 109 -2.031 11.321 -5.551 633 HA2 GLY 109 HA2 GLY 109 -3.693 11.301 -3.952 634 HA3 GLY 109 HA1 GLY 109 -4.774 12.037 -5.124 635 H LYS 110 HN LYS 110 -5.987 10.303 -3.617 636 HA LYS 110 HA LYS 110 -5.835 7.581 -4.259 637 HB2 LYS 110 HB2 LYS 110 -7.039 8.368 -2.301 638 HB3 LYS 110 HB3 LYS 110 -8.204 9.206 -3.318 639 HG2 LYS 110 HG2 LYS 110 -9.071 7.137 -4.147 640 HG3 LYS 110 HG3 LYS 110 -7.795 6.223 -3.344 641 HD2 LYS 110 HD2 LYS 110 -9.773 6.015 -2.025 642 HD3 LYS 110 HD3 LYS 110 -8.669 7.088 -1.164 643 HE2 LYS 110 HE2 LYS 110 -9.890 9.029 -1.991 644 HE3 LYS 110 HE3 LYS 110 -10.979 7.973 -2.889 645 HZ1 LYS 110 HZ1 LYS 110 -11.718 7.018 -0.795 646 HZ2 LYS 110 HZ2 LYS 110 -11.962 8.691 -0.805 647 HZ3 LYS 110 HZ3 LYS 110 -10.670 8.032 0.066 648 H GLU 111 HN GLU 111 -7.865 10.152 -5.654 649 HA GLU 111 HA GLU 111 -9.452 8.680 -7.378 650 HB2 GLU 111 HB2 GLU 111 -9.810 11.038 -7.074 651 HB3 GLU 111 HB3 GLU 111 -8.227 11.421 -7.735 652 HG2 GLU 111 HG2 GLU 111 -8.928 10.607 -9.918 653 HG3 GLU 111 HG3 GLU 111 -10.511 10.194 -9.262 654 H CYS 112 HN CYS 112 -6.477 10.373 -8.446 655 HA CYS 112 HA CYS 112 -6.333 9.106 -10.929 656 HB2 CYS 112 HB2 CYS 112 -4.178 10.377 -9.248 657 HB3 CYS 112 HB3 CYS 112 -3.920 9.828 -10.898 658 HG CYS 112 HG CYS 112 -5.920 12.386 -9.846 659 H PHE 113 HN PHE 113 -4.892 8.167 -7.810 660 HA PHE 113 HA PHE 113 -3.277 6.084 -8.783 661 HB2 PHE 113 HB2 PHE 113 -3.138 7.085 -6.492 662 HB3 PHE 113 HB3 PHE 113 -4.614 6.220 -6.073 663 HD1 PHE 113 HD2 PHE 113 -4.611 3.808 -5.810 664 HD2 PHE 113 HD1 PHE 113 -1.046 5.932 -6.753 665 HE1 PHE 113 HE2 PHE 113 -3.278 1.831 -5.207 666 HE2 PHE 113 HE1 PHE 113 0.291 3.957 -6.153 667 HZ PHE 113 HZ PHE 113 -0.822 1.905 -5.379 668 H LEU 114 HN LEU 114 -6.625 6.070 -7.565 669 HA LEU 114 HA LEU 114 -7.030 3.293 -7.831 670 HB2 LEU 114 HB2 LEU 114 -8.930 5.623 -7.729 671 HB3 LEU 114 HB3 LEU 114 -9.500 3.971 -7.895 672 HG LEU 114 HG LEU 114 -7.861 5.021 -5.583 673 HD11 LEU 114 HD11 LEU 114 -10.792 4.336 -5.757 674 HD12 LEU 114 HD12 LEU 114 -10.109 5.955 -5.599 675 HD13 LEU 114 HD13 LEU 114 -9.921 4.787 -4.291 676 HD21 LEU 114 HD21 LEU 114 -7.438 2.670 -5.979 677 HD22 LEU 114 HD22 LEU 114 -9.170 2.343 -6.049 678 HD23 LEU 114 HD23 LEU 114 -8.431 2.866 -4.535 679 H GLU 115 HN GLU 115 -7.120 5.901 -10.142 680 HA GLU 115 HA GLU 115 -8.531 4.469 -12.176 681 HB2 GLU 115 HB2 GLU 115 -6.711 6.878 -12.343 682 HB3 GLU 115 HB3 GLU 115 -7.647 6.248 -13.690 683 HG2 GLU 115 HG2 GLU 115 -8.756 7.346 -11.118 684 HG3 GLU 115 HG3 GLU 115 -8.744 8.158 -12.679 685 H LEU 116 HN LEU 116 -5.246 4.520 -11.068 686 HA LEU 116 HA LEU 116 -4.120 3.401 -13.482 687 HB2 LEU 116 HB2 LEU 116 -2.933 3.725 -10.726 688 HB3 LEU 116 HB3 LEU 116 -2.047 3.240 -12.158 689 HG LEU 116 HG LEU 116 -3.416 5.908 -11.822 690 HD11 LEU 116 HD11 LEU 116 -1.576 5.715 -10.262 691 HD12 LEU 116 HD12 LEU 116 -1.141 6.805 -11.579 692 HD13 LEU 116 HD13 LEU 116 -0.510 5.159 -11.553 693 HD21 LEU 116 HD21 LEU 116 -3.240 5.246 -14.141 694 HD22 LEU 116 HD22 LEU 116 -1.534 4.855 -13.928 695 HD23 LEU 116 HD23 LEU 116 -2.078 6.527 -13.796 696 H ALA 117 HN ALA 117 -5.214 2.227 -10.346 697 HA ALA 117 HA ALA 117 -4.498 -0.518 -11.153 698 HB1 ALA 117 HB1 ALA 117 -4.861 0.692 -8.427 699 HB2 ALA 117 HB2 ALA 117 -3.412 -0.038 -9.117 700 HB3 ALA 117 HB3 ALA 117 -4.794 -1.049 -8.699 701 HA PRO 118 HA PRO 118 -8.624 -1.999 -11.526 702 HB2 PRO 118 HB2 PRO 118 -8.046 -3.933 -9.340 703 HB3 PRO 118 HB3 PRO 118 -8.664 -4.223 -10.970 704 HG2 PRO 118 HG2 PRO 118 -6.135 -4.775 -10.328 705 HG3 PRO 118 HG3 PRO 118 -6.566 -4.139 -11.925 706 HD2 PRO 118 HD2 PRO 118 -5.261 -2.769 -9.630 707 HD3 PRO 118 HD3 PRO 118 -5.052 -2.510 -11.369 708 H ASP 119 HN ASP 119 -10.608 -2.541 -10.320 709 HA ASP 119 HA ASP 119 -11.329 -0.520 -8.492 710 HB2 ASP 119 HB2 ASP 119 -12.931 -1.450 -10.037 711 HB3 ASP 119 HB3 ASP 119 -12.743 -3.044 -9.316 712 H PHE 120 HN PHE 120 -10.016 -3.678 -7.956 713 HA PHE 120 HA PHE 120 -10.889 -3.489 -5.177 714 HB2 PHE 120 HB2 PHE 120 -9.999 -5.986 -6.628 715 HB3 PHE 120 HB3 PHE 120 -10.538 -5.926 -4.953 716 HD1 PHE 120 HD1 PHE 120 -12.884 -5.558 -4.412 717 HD2 PHE 120 HD2 PHE 120 -11.562 -5.830 -8.448 718 HE1 PHE 120 HE1 PHE 120 -15.210 -5.875 -5.150 719 HE2 PHE 120 HE2 PHE 120 -13.884 -6.148 -9.192 720 HZ PHE 120 HZ PHE 120 -15.713 -6.169 -7.542 721 H VAL 121 HN VAL 121 -8.051 -4.732 -6.972 722 HA VAL 121 HA VAL 121 -6.331 -4.766 -4.743 723 HB VAL 121 HB VAL 121 -4.503 -5.050 -6.259 724 HG11 VAL 121 HG11 VAL 121 -6.025 -6.952 -6.033 725 HG12 VAL 121 HG12 VAL 121 -5.286 -6.901 -7.635 726 HG13 VAL 121 HG13 VAL 121 -6.953 -6.371 -7.416 727 HG21 VAL 121 HG21 VAL 121 -4.882 -4.821 -8.736 728 HG22 VAL 121 HG22 VAL 121 -4.800 -3.314 -7.824 729 HG23 VAL 121 HG23 VAL 121 -6.362 -3.949 -8.339 730 H GLY 122 HN GLY 122 -7.137 -2.183 -7.008 731 HA2 GLY 122 HA2 GLY 122 -5.095 -0.379 -6.586 732 HA3 GLY 122 HA1 GLY 122 -6.766 0.085 -6.869 733 H ASP 123 HN ASP 123 -7.871 -1.017 -4.488 734 HA ASP 123 HA ASP 123 -7.499 1.096 -2.679 735 HB2 ASP 123 HB2 ASP 123 -9.544 -0.324 -2.832 736 HB3 ASP 123 HB3 ASP 123 -8.641 -1.634 -2.079 737 H ILE 124 HN ILE 124 -6.326 -2.250 -2.623 738 HA ILE 124 HA ILE 124 -5.105 -2.349 -0.154 739 HB ILE 124 HB ILE 124 -4.079 -3.600 -2.710 740 HG12 ILE 124 HG12 ILE 124 -6.418 -4.188 -2.257 741 HG13 ILE 124 HG13 ILE 124 -5.362 -5.576 -2.025 742 HG21 ILE 124 HG21 ILE 124 -3.539 -4.273 0.176 743 HG22 ILE 124 HG22 ILE 124 -2.383 -3.673 -1.013 744 HG23 ILE 124 HG23 ILE 124 -3.078 -5.283 -1.194 745 HD11 ILE 124 HD11 ILE 124 -5.468 -5.298 0.368 746 HD12 ILE 124 HD12 ILE 124 -7.096 -5.401 -0.306 747 HD13 ILE 124 HD13 ILE 124 -6.437 -3.837 0.179 748 H LEU 125 HN LEU 125 -3.603 -1.311 -3.218 749 HA LEU 125 HA LEU 125 -1.066 -0.754 -2.092 750 HB2 LEU 125 HB2 LEU 125 -2.348 0.370 -4.601 751 HB3 LEU 125 HB3 LEU 125 -0.651 0.511 -4.187 752 HG LEU 125 HG LEU 125 -2.052 -2.124 -4.615 753 HD11 LEU 125 HD11 LEU 125 -2.116 -0.890 -6.684 754 HD12 LEU 125 HD12 LEU 125 -0.896 -2.159 -6.795 755 HD13 LEU 125 HD13 LEU 125 -0.406 -0.485 -6.535 756 HD21 LEU 125 HD21 LEU 125 -0.060 -2.263 -3.229 757 HD22 LEU 125 HD22 LEU 125 0.867 -1.387 -4.447 758 HD23 LEU 125 HD23 LEU 125 0.231 -2.992 -4.809 759 H TRP 126 HN TRP 126 -3.668 1.554 -3.069 760 HA TRP 126 HA TRP 126 -2.343 3.813 -1.975 761 HB2 TRP 126 HB2 TRP 126 -4.010 4.524 -3.405 762 HB3 TRP 126 HB3 TRP 126 -5.104 3.216 -2.970 763 HD1 TRP 126 HD1 TRP 126 -4.245 6.800 -2.105 764 HE1 TRP 126 HE1 TRP 126 -5.974 7.713 -0.434 765 HE3 TRP 126 HE3 TRP 126 -6.681 2.447 -1.008 766 HZ2 TRP 126 HZ2 TRP 126 -8.091 6.715 1.146 767 HZ3 TRP 126 HZ3 TRP 126 -8.545 2.510 0.595 768 HH2 TRP 126 HH2 TRP 126 -9.234 4.600 1.649 769 H GLU 127 HN GLU 127 -4.284 1.338 -0.435 770 HA GLU 127 HA GLU 127 -4.981 2.767 1.905 771 HB2 GLU 127 HB2 GLU 127 -5.889 0.526 1.233 772 HB3 GLU 127 HB3 GLU 127 -4.351 -0.196 1.676 773 HG2 GLU 127 HG2 GLU 127 -4.660 0.469 3.976 774 HG3 GLU 127 HG3 GLU 127 -6.150 1.314 3.558 775 H HIS 128 HN HIS 128 -2.251 0.497 1.353 776 HA HIS 128 HA HIS 128 -0.930 1.230 3.782 777 HB2 HIS 128 HB2 HIS 128 -0.661 -0.996 2.738 778 HB3 HIS 128 HB3 HIS 128 0.151 -0.245 1.369 779 HD1 HIS 128 HD1 HIS 128 2.259 -1.695 1.883 780 HD2 HIS 128 HD2 HIS 128 1.223 0.973 4.897 781 HE1 HIS 128 HE1 HIS 128 4.259 -1.586 3.401 782 HE2 HIS 128 HE2 HIS 128 3.659 0.133 5.139 783 H LEU 129 HN LEU 129 -0.685 2.199 0.412 784 HA LEU 129 HA LEU 129 1.742 3.585 0.458 785 HB2 LEU 129 HB2 LEU 129 0.364 3.025 -1.560 786 HB3 LEU 129 HB3 LEU 129 -0.725 4.325 -1.120 787 HG LEU 129 HG LEU 129 1.087 5.954 -1.416 788 HD11 LEU 129 HD11 LEU 129 2.987 4.562 -0.838 789 HD12 LEU 129 HD12 LEU 129 3.202 5.248 -2.448 790 HD13 LEU 129 HD13 LEU 129 2.715 3.562 -2.265 791 HD21 LEU 129 HD21 LEU 129 0.744 4.125 -3.790 792 HD22 LEU 129 HD22 LEU 129 1.233 5.820 -3.836 793 HD23 LEU 129 HD23 LEU 129 -0.387 5.384 -3.293 794 H GLU 130 HN GLU 130 -1.558 4.736 1.186 795 HA GLU 130 HA GLU 130 -0.775 7.393 1.709 796 HB2 GLU 130 HB2 GLU 130 -3.146 6.388 1.245 797 HB3 GLU 130 HB3 GLU 130 -3.191 6.178 2.989 798 HG2 GLU 130 HG2 GLU 130 -2.782 8.790 1.546 799 HG3 GLU 130 HG3 GLU 130 -4.289 8.239 2.276 800 H ILE 131 HN ILE 131 -1.186 4.536 3.717 801 HA ILE 131 HA ILE 131 -0.942 5.646 6.249 802 HB ILE 131 HB ILE 131 -0.096 2.964 5.166 803 HG12 ILE 131 HG12 ILE 131 -2.281 3.663 7.130 804 HG13 ILE 131 HG13 ILE 131 -2.537 3.618 5.389 805 HG21 ILE 131 HG21 ILE 131 0.203 2.210 7.489 806 HG22 ILE 131 HG22 ILE 131 0.025 3.878 8.036 807 HG23 ILE 131 HG23 ILE 131 1.390 3.424 7.014 808 HD11 ILE 131 HD11 ILE 131 -1.613 1.296 7.064 809 HD12 ILE 131 HD12 ILE 131 -1.973 1.269 5.338 810 HD13 ILE 131 HD13 ILE 131 -3.263 1.564 6.503 811 H LEU 132 HN LEU 132 1.603 4.568 4.014 812 HA LEU 132 HA LEU 132 3.855 4.953 5.582 813 HB2 LEU 132 HB2 LEU 132 3.487 5.397 2.622 814 HB3 LEU 132 HB3 LEU 132 5.047 5.372 3.421 815 HG LEU 132 HG LEU 132 3.115 3.050 3.350 816 HD11 LEU 132 HD11 LEU 132 4.697 2.039 1.787 817 HD12 LEU 132 HD12 LEU 132 5.646 3.526 1.783 818 HD13 LEU 132 HD13 LEU 132 4.005 3.524 1.136 819 HD21 LEU 132 HD21 LEU 132 4.525 3.026 5.326 820 HD22 LEU 132 HD22 LEU 132 5.961 3.260 4.328 821 HD23 LEU 132 HD23 LEU 132 5.031 1.767 4.199 822 H GLN 133 HN GLN 133 1.952 7.332 3.796 823 HA GLN 133 HA GLN 133 3.703 9.514 4.002 824 HB2 GLN 133 HB2 GLN 133 0.685 9.615 3.956 825 HB3 GLN 133 HB3 GLN 133 1.783 10.912 3.513 826 HG2 GLN 133 HG2 GLN 133 2.539 9.694 1.593 827 HG3 GLN 133 HG3 GLN 133 1.609 8.276 2.074 828 HE21 GLN 133 HE21 GLN 133 0.460 8.241 0.147 829 HE22 GLN 133 HE22 GLN 133 -0.765 9.402 -0.219 830 H LYS 134 HN LYS 134 1.011 8.501 6.096 831 HA LYS 134 HA LYS 134 1.283 10.597 7.971 832 HB2 LYS 134 HB2 LYS 134 -0.779 9.323 7.781 833 HB3 LYS 134 HB3 LYS 134 0.050 7.853 8.271 834 HG2 LYS 134 HG2 LYS 134 -1.246 8.749 10.105 835 HG3 LYS 134 HG3 LYS 134 0.478 8.832 10.474 836 HD2 LYS 134 HD2 LYS 134 0.464 11.213 9.772 837 HD3 LYS 134 HD3 LYS 134 -1.281 11.101 9.542 838 HE2 LYS 134 HE2 LYS 134 -0.854 12.081 11.690 839 HE3 LYS 134 HE3 LYS 134 -1.500 10.459 11.931 840 HZ1 LYS 134 HZ1 LYS 134 0.724 9.652 12.351 841 HZ2 LYS 134 HZ2 LYS 134 0.382 10.938 13.395 842 HZ3 LYS 134 HZ3 LYS 134 1.380 11.183 12.051 843 H GLU 135 HN GLU 135 2.749 7.393 7.754 844 HA GLU 135 HA GLU 135 3.765 7.090 10.306 845 HB2 GLU 135 HB2 GLU 135 5.052 6.319 7.682 846 HB3 GLU 135 HB3 GLU 135 5.582 5.746 9.257 847 HG2 GLU 135 HG2 GLU 135 2.867 5.262 8.052 848 HG3 GLU 135 HG3 GLU 135 4.199 4.111 8.071 849 H ASP 136 HN ASP 136 5.019 9.041 7.656 850 HA ASP 136 HA ASP 136 6.724 10.456 9.550 851 HB2 ASP 136 HB2 ASP 136 8.540 10.421 7.664 852 HB3 ASP 136 HB3 ASP 136 8.403 9.059 8.771 853 H VAL 137 HN VAL 137 4.962 11.986 9.216 854 HA VAL 137 HA VAL 137 4.590 13.211 6.648 855 HB VAL 137 HB VAL 137 3.210 14.869 7.845 856 HG11 VAL 137 HG11 VAL 137 2.655 12.008 8.623 857 HG12 VAL 137 HG12 VAL 137 2.206 12.782 7.103 858 HG13 VAL 137 HG13 VAL 137 1.475 13.319 8.616 859 HG21 VAL 137 HG21 VAL 137 2.812 14.664 10.238 860 HG22 VAL 137 HG22 VAL 137 4.518 14.978 9.921 861 HG23 VAL 137 HG23 VAL 137 3.984 13.350 10.338 862 H LYS 138 HN LYS 138 4.802 15.650 6.422 863 HA LYS 138 HA LYS 138 7.539 16.355 6.761 864 HB2 LYS 138 HB2 LYS 138 5.208 18.077 5.890 865 HB3 LYS 138 HB3 LYS 138 6.905 18.506 5.734 866 HG2 LYS 138 HG2 LYS 138 5.497 16.234 4.346 867 HG3 LYS 138 HG3 LYS 138 6.034 17.746 3.616 868 HD2 LYS 138 HD2 LYS 138 8.365 17.154 4.175 869 HD3 LYS 138 HD3 LYS 138 7.797 15.617 4.828 870 HE2 LYS 138 HE2 LYS 138 6.831 15.102 2.587 871 HE3 LYS 138 HE3 LYS 138 7.593 16.569 1.975 872 HZ1 LYS 138 HZ1 LYS 138 9.749 15.652 2.613 873 HZ2 LYS 138 HZ2 LYS 138 8.954 14.648 1.511 874 HZ3 LYS 138 HZ3 LYS 138 9.000 14.232 3.150 Start of MODEL 13 1 H HIS 28 H1 HIS 28 5.980 18.789 3.069 2 HA HIS 28 HA HIS 28 6.422 17.166 4.796 3 HB2 HIS 28 HB2 HIS 28 4.223 18.659 6.098 4 HB3 HIS 28 HB3 HIS 28 4.174 16.909 6.286 5 HD1 HIS 28 HD1 HIS 28 6.092 15.804 7.641 6 HD2 HIS 28 HD2 HIS 28 6.270 19.953 7.484 7 HE1 HIS 28 HE1 HIS 28 7.751 16.473 9.407 8 HE2 HIS 28 HE2 HIS 28 7.893 18.983 9.249 9 H MET 29 HN MET 29 3.051 17.910 3.853 10 HA MET 29 HA MET 29 1.500 16.725 2.689 11 HB2 MET 29 HB2 MET 29 3.966 15.508 1.426 12 HB3 MET 29 HB3 MET 29 2.329 15.304 0.819 13 HG2 MET 29 HG2 MET 29 2.167 17.712 0.444 14 HG3 MET 29 HG3 MET 29 3.808 17.916 1.053 15 HE1 MET 29 HE1 MET 29 2.346 15.055 -1.217 16 HE2 MET 29 HE2 MET 29 2.765 15.639 -2.828 17 HE3 MET 29 HE3 MET 29 1.569 16.502 -1.862 18 H GLU 30 HN GLU 30 1.236 15.790 4.952 19 HA GLU 30 HA GLU 30 2.057 13.034 5.287 20 HB2 GLU 30 HB2 GLU 30 0.158 14.647 6.998 21 HB3 GLU 30 HB3 GLU 30 0.973 13.155 7.444 22 HG2 GLU 30 HG2 GLU 30 2.322 15.789 6.885 23 HG3 GLU 30 HG3 GLU 30 2.000 15.112 8.480 24 H CYS 31 HN CYS 31 -0.989 14.797 4.779 25 HA CYS 31 HA CYS 31 -2.287 12.238 4.108 26 HB2 CYS 31 HB2 CYS 31 -4.430 13.374 4.617 27 HB3 CYS 31 HB3 CYS 31 -3.352 13.321 6.005 28 HG CYS 31 HG CYS 31 -4.123 15.773 6.446 29 H ALA 32 HN ALA 32 -2.821 11.913 2.051 30 HA ALA 32 HA ALA 32 -2.646 14.162 0.184 31 HB1 ALA 32 HB1 ALA 32 -2.448 12.484 -1.564 32 HB2 ALA 32 HB2 ALA 32 -2.726 11.202 -0.385 33 HB3 ALA 32 HB3 ALA 32 -1.271 12.192 -0.285 34 H ASP 33 HN ASP 33 -4.745 11.301 0.667 35 HA ASP 33 HA ASP 33 -6.923 12.778 -0.639 36 HB2 ASP 33 HB2 ASP 33 -6.250 10.533 -1.546 37 HB3 ASP 33 HB3 ASP 33 -6.801 9.820 -0.033 38 H VAL 34 HN VAL 34 -6.479 10.496 2.083 39 HA VAL 34 HA VAL 34 -8.656 11.907 3.488 40 HB VAL 34 HB VAL 34 -7.869 9.007 3.825 41 HG11 VAL 34 HG11 VAL 34 -8.778 9.952 5.859 42 HG12 VAL 34 HG12 VAL 34 -9.954 8.857 5.132 43 HG13 VAL 34 HG13 VAL 34 -10.158 10.601 4.973 44 HG21 VAL 34 HG21 VAL 34 -10.203 10.243 2.366 45 HG22 VAL 34 HG22 VAL 34 -10.051 8.527 2.745 46 HG23 VAL 34 HG23 VAL 34 -8.889 9.297 1.665 47 HA PRO 35 HA PRO 35 -5.401 12.845 6.425 48 HB2 PRO 35 HB2 PRO 35 -6.941 14.186 8.204 49 HB3 PRO 35 HB3 PRO 35 -6.422 14.895 6.671 50 HG2 PRO 35 HG2 PRO 35 -9.047 13.654 7.394 51 HG3 PRO 35 HG3 PRO 35 -8.724 15.124 6.458 52 HD2 PRO 35 HD2 PRO 35 -9.344 12.740 5.308 53 HD3 PRO 35 HD3 PRO 35 -8.312 13.952 4.523 54 H LEU 36 HN LEU 36 -4.780 12.190 8.529 55 HA LEU 36 HA LEU 36 -6.614 10.472 10.018 56 HB2 LEU 36 HB2 LEU 36 -5.342 9.056 8.387 57 HB3 LEU 36 HB3 LEU 36 -3.867 9.532 9.203 58 HG LEU 36 HG LEU 36 -4.678 8.465 11.275 59 HD11 LEU 36 HD11 LEU 36 -6.997 7.599 9.553 60 HD12 LEU 36 HD12 LEU 36 -7.069 8.695 10.933 61 HD13 LEU 36 HD13 LEU 36 -6.647 7.001 11.175 62 HD21 LEU 36 HD21 LEU 36 -3.269 7.214 9.727 63 HD22 LEU 36 HD22 LEU 36 -4.700 6.673 8.849 64 HD23 LEU 36 HD23 LEU 36 -4.437 6.153 10.513 65 H LEU 37 HN LEU 37 -6.234 10.398 12.195 66 HA LEU 37 HA LEU 37 -4.265 12.308 13.210 67 HB2 LEU 37 HB2 LEU 37 -6.632 10.960 14.510 68 HB3 LEU 37 HB3 LEU 37 -5.518 12.002 15.371 69 HG LEU 37 HG LEU 37 -6.147 13.834 13.731 70 HD11 LEU 37 HD11 LEU 37 -8.383 11.912 13.096 71 HD12 LEU 37 HD12 LEU 37 -7.109 12.425 11.990 72 HD13 LEU 37 HD13 LEU 37 -8.287 13.595 12.580 73 HD21 LEU 37 HD21 LEU 37 -8.270 12.701 15.549 74 HD22 LEU 37 HD22 LEU 37 -8.245 14.345 14.909 75 HD23 LEU 37 HD23 LEU 37 -6.974 13.807 16.008 76 H TPO 38 HN TPO 38 -3.022 11.762 15.166 77 HA TPO 38 HA TPO 38 -2.556 8.902 15.565 78 HB TPO 38 HB TPO 38 -0.938 9.553 13.863 79 HG21 TPO 38 HG21 TPO 38 -0.037 11.639 15.840 80 HG22 TPO 38 HG22 TPO 38 -0.666 11.905 14.215 81 HG23 TPO 38 HG23 TPO 38 0.899 11.124 14.436 82 HA PRO 39 HA PRO 39 -2.408 11.666 19.444 83 HB2 PRO 39 HB2 PRO 39 -4.639 10.677 20.654 84 HB3 PRO 39 HB3 PRO 39 -4.661 12.083 19.586 85 HG2 PRO 39 HG2 PRO 39 -5.357 9.235 18.981 86 HG3 PRO 39 HG3 PRO 39 -6.200 10.720 18.500 87 HD2 PRO 39 HD2 PRO 39 -4.572 9.387 16.814 88 HD3 PRO 39 HD3 PRO 39 -4.718 11.155 16.782 89 H SER 40 HN SER 40 -2.557 10.754 21.787 90 HA SER 40 HA SER 40 -0.698 8.751 22.130 91 HB2 SER 40 HB2 SER 40 -1.510 8.613 24.485 92 HB3 SER 40 HB3 SER 40 -1.249 10.267 23.934 93 HG SER 40 HG SER 40 -3.209 10.331 24.869 94 H SEP 41 HN SEP 41 -4.166 8.321 22.878 95 HA SEP 41 HA SEP 41 -4.166 5.589 23.148 96 HB2 SEP 41 HB2 SEP 41 -6.151 7.633 22.890 97 HB3 SEP 41 HB3 SEP 41 -6.632 6.253 21.900 98 H LYS 42 HN LYS 42 -4.168 7.422 20.156 99 HA LYS 42 HA LYS 42 -4.946 5.337 18.426 100 HB2 LYS 42 HB2 LYS 42 -4.986 7.663 17.723 101 HB3 LYS 42 HB3 LYS 42 -3.240 7.769 17.880 102 HG2 LYS 42 HG2 LYS 42 -3.897 7.560 15.556 103 HG3 LYS 42 HG3 LYS 42 -2.972 6.152 16.073 104 HD2 LYS 42 HD2 LYS 42 -5.163 4.982 16.461 105 HD3 LYS 42 HD3 LYS 42 -5.954 6.355 15.684 106 HE2 LYS 42 HE2 LYS 42 -3.851 4.595 14.425 107 HE3 LYS 42 HE3 LYS 42 -5.585 4.494 14.125 108 HZ1 LYS 42 HZ1 LYS 42 -4.487 5.733 12.385 109 HZ2 LYS 42 HZ2 LYS 42 -3.842 6.820 13.508 110 HZ3 LYS 42 HZ3 LYS 42 -5.513 6.760 13.254 111 H GLU 43 HN GLU 43 -1.883 6.013 19.969 112 HA GLU 43 HA GLU 43 -0.144 4.708 18.216 113 HB2 GLU 43 HB2 GLU 43 -0.081 5.412 21.097 114 HB3 GLU 43 HB3 GLU 43 1.042 4.168 20.570 115 HG2 GLU 43 HG2 GLU 43 2.115 6.321 20.521 116 HG3 GLU 43 HG3 GLU 43 1.939 5.700 18.881 117 H MET 44 HN MET 44 -2.219 3.395 20.772 118 HA MET 44 HA MET 44 -1.247 0.784 20.840 119 HB2 MET 44 HB2 MET 44 -3.820 2.089 21.518 120 HB3 MET 44 HB3 MET 44 -3.881 0.352 21.261 121 HG2 MET 44 HG2 MET 44 -3.576 0.866 23.603 122 HG3 MET 44 HG3 MET 44 -2.163 0.033 22.960 123 HE1 MET 44 HE1 MET 44 -2.375 4.494 24.098 124 HE2 MET 44 HE2 MET 44 -3.627 3.299 24.440 125 HE3 MET 44 HE3 MET 44 -3.334 3.820 22.783 126 H MET 45 HN MET 45 -3.619 2.271 18.660 127 HA MET 45 HA MET 45 -4.263 -0.100 17.246 128 HB2 MET 45 HB2 MET 45 -4.459 2.795 16.384 129 HB3 MET 45 HB3 MET 45 -5.175 1.440 15.523 130 HG2 MET 45 HG2 MET 45 -6.583 0.949 17.455 131 HG3 MET 45 HG3 MET 45 -5.858 2.300 18.326 132 HE1 MET 45 HE1 MET 45 -6.863 2.089 14.516 133 HE2 MET 45 HE2 MET 45 -8.497 2.751 14.565 134 HE3 MET 45 HE3 MET 45 -8.147 1.207 15.341 135 H SER 46 HN SER 46 -1.911 2.498 16.688 136 HA SER 46 HA SER 46 -0.945 1.631 14.202 137 HB2 SER 46 HB2 SER 46 0.550 3.104 16.390 138 HB3 SER 46 HB3 SER 46 1.048 2.994 14.701 139 HG SER 46 HG SER 46 -0.506 4.358 14.133 140 H GLN 47 HN GLN 47 -0.157 0.657 17.483 141 HA GLN 47 HA GLN 47 2.189 -0.754 17.204 142 HB2 GLN 47 HB2 GLN 47 0.918 -0.397 19.317 143 HB3 GLN 47 HB3 GLN 47 -0.208 -1.645 18.803 144 HG2 GLN 47 HG2 GLN 47 1.595 -3.284 18.804 145 HG3 GLN 47 HG3 GLN 47 2.735 -2.035 19.303 146 HE21 GLN 47 HE21 GLN 47 3.268 -3.112 21.197 147 HE22 GLN 47 HE22 GLN 47 2.186 -3.212 22.540 148 H ALA 48 HN ALA 48 -1.102 -2.056 16.749 149 HA ALA 48 HA ALA 48 -0.371 -4.625 15.926 150 HB1 ALA 48 HB1 ALA 48 -2.644 -3.988 16.607 151 HB2 ALA 48 HB2 ALA 48 -2.626 -4.821 15.053 152 HB3 ALA 48 HB3 ALA 48 -2.827 -3.070 15.114 153 H LEU 49 HN LEU 49 -1.170 -1.768 13.931 154 HA LEU 49 HA LEU 49 -0.811 -2.950 11.425 155 HB2 LEU 49 HB2 LEU 49 -0.336 -0.075 12.218 156 HB3 LEU 49 HB3 LEU 49 -0.552 -0.658 10.578 157 HG LEU 49 HG LEU 49 -2.652 -0.828 12.742 158 HD11 LEU 49 HD11 LEU 49 -2.384 1.103 10.442 159 HD12 LEU 49 HD12 LEU 49 -2.213 1.488 12.155 160 HD13 LEU 49 HD13 LEU 49 -3.775 0.972 11.519 161 HD21 LEU 49 HD21 LEU 49 -4.152 -1.337 10.847 162 HD22 LEU 49 HD22 LEU 49 -2.909 -2.565 11.084 163 HD23 LEU 49 HD23 LEU 49 -2.748 -1.390 9.779 164 H LYS 50 HN LYS 50 1.511 -1.221 13.477 165 HA LYS 50 HA LYS 50 3.682 -1.164 11.749 166 HB2 LYS 50 HB2 LYS 50 3.462 0.028 13.942 167 HB3 LYS 50 HB3 LYS 50 3.809 -1.497 14.743 168 HG2 LYS 50 HG2 LYS 50 5.978 -1.563 13.523 169 HG3 LYS 50 HG3 LYS 50 5.623 0.058 12.922 170 HD2 LYS 50 HD2 LYS 50 5.809 -0.709 15.834 171 HD3 LYS 50 HD3 LYS 50 7.095 0.070 14.910 172 HE2 LYS 50 HE2 LYS 50 5.619 1.983 14.490 173 HE3 LYS 50 HE3 LYS 50 4.346 1.205 15.428 174 HZ1 LYS 50 HZ1 LYS 50 5.507 2.824 16.762 175 HZ2 LYS 50 HZ2 LYS 50 6.993 2.078 16.455 176 HZ3 LYS 50 HZ3 LYS 50 5.817 1.275 17.366 177 H ALA 51 HN ALA 51 2.622 -3.736 13.947 178 HA ALA 51 HA ALA 51 4.948 -5.346 13.345 179 HB1 ALA 51 HB1 ALA 51 3.905 -5.385 15.591 180 HB2 ALA 51 HB2 ALA 51 4.010 -6.986 14.859 181 HB3 ALA 51 HB3 ALA 51 2.468 -6.129 14.886 182 H THR 52 HN THR 52 1.620 -5.123 12.229 183 HA THR 52 HA THR 52 1.525 -7.678 10.980 184 HB THR 52 HB THR 52 -0.102 -5.199 10.364 185 HG1 THR 52 HG1 THR 52 -1.033 -5.668 12.199 186 HG21 THR 52 HG21 THR 52 -1.747 -6.827 9.461 187 HG22 THR 52 HG22 THR 52 -0.547 -8.103 9.664 188 HG23 THR 52 HG23 THR 52 -0.243 -6.779 8.539 189 H PHE 53 HN PHE 53 2.611 -4.483 9.955 190 HA PHE 53 HA PHE 53 3.041 -5.420 7.224 191 HB2 PHE 53 HB2 PHE 53 3.158 -2.726 8.547 192 HB3 PHE 53 HB3 PHE 53 3.905 -2.979 6.974 193 HD1 PHE 53 HD1 PHE 53 2.432 -3.932 5.114 194 HD2 PHE 53 HD2 PHE 53 0.887 -2.256 8.706 195 HE1 PHE 53 HE1 PHE 53 0.258 -3.595 4.016 196 HE2 PHE 53 HE2 PHE 53 -1.291 -1.918 7.615 197 HZ PHE 53 HZ PHE 53 -1.608 -2.588 5.266 198 H SER 54 HN SER 54 4.600 -6.747 9.129 199 HA SER 54 HA SER 54 7.231 -5.610 9.260 200 HB2 SER 54 HB2 SER 54 7.875 -7.818 10.192 201 HB3 SER 54 HB3 SER 54 6.473 -7.132 11.010 202 HG SER 54 HG SER 54 6.679 -9.394 9.438 203 H GLY 55 HN GLY 55 5.500 -7.333 6.856 204 HA2 GLY 55 HA2 GLY 55 7.776 -8.592 5.626 205 HA3 GLY 55 HA1 GLY 55 6.158 -8.466 4.954 206 H PHE 56 HN PHE 56 6.558 -5.413 5.645 207 HA PHE 56 HA PHE 56 7.563 -4.774 2.986 208 HB2 PHE 56 HB2 PHE 56 5.458 -3.720 3.797 209 HB3 PHE 56 HB3 PHE 56 6.380 -2.905 5.055 210 HD1 PHE 56 HD1 PHE 56 7.456 -3.435 1.553 211 HD2 PHE 56 HD2 PHE 56 6.024 -0.659 4.447 212 HE1 PHE 56 HE1 PHE 56 7.933 -1.585 0.008 213 HE2 PHE 56 HE2 PHE 56 6.499 1.197 2.900 214 HZ PHE 56 HZ PHE 56 7.455 0.734 0.679 215 H THR 57 HN THR 57 8.196 -3.779 6.355 216 HA THR 57 HA THR 57 10.404 -2.156 5.870 217 HB THR 57 HB THR 57 9.888 -3.888 8.296 218 HG1 THR 57 HG1 THR 57 9.217 -1.169 7.737 219 HG21 THR 57 HG21 THR 57 11.667 -1.467 7.976 220 HG22 THR 57 HG22 THR 57 12.208 -3.128 8.219 221 HG23 THR 57 HG23 THR 57 11.320 -2.293 9.494 222 H LYS 58 HN LYS 58 10.283 -5.666 6.387 223 HA LYS 58 HA LYS 58 13.053 -6.126 6.430 224 HB2 LYS 58 HB2 LYS 58 12.543 -8.435 5.921 225 HB3 LYS 58 HB3 LYS 58 11.339 -7.822 7.047 226 HG2 LYS 58 HG2 LYS 58 9.789 -7.494 5.156 227 HG3 LYS 58 HG3 LYS 58 10.993 -8.204 4.079 228 HD2 LYS 58 HD2 LYS 58 10.935 -10.237 5.605 229 HD3 LYS 58 HD3 LYS 58 9.493 -9.522 6.330 230 HE2 LYS 58 HE2 LYS 58 8.437 -9.477 4.095 231 HE3 LYS 58 HE3 LYS 58 9.861 -10.276 3.431 232 HZ1 LYS 58 HZ1 LYS 58 9.428 -12.164 4.885 233 HZ2 LYS 58 HZ2 LYS 58 8.103 -11.860 3.879 234 HZ3 LYS 58 HZ3 LYS 58 8.052 -11.396 5.505 235 H GLU 59 HN GLU 59 10.803 -5.670 3.784 236 HA GLU 59 HA GLU 59 12.647 -6.435 1.714 237 HB2 GLU 59 HB2 GLU 59 10.267 -6.695 1.357 238 HB3 GLU 59 HB3 GLU 59 9.988 -4.989 1.668 239 HG2 GLU 59 HG2 GLU 59 11.872 -5.535 -0.507 240 HG3 GLU 59 HG3 GLU 59 10.228 -6.109 -0.789 241 H GLN 60 HN GLN 60 11.435 -3.377 3.074 242 HA GLN 60 HA GLN 60 12.715 -1.624 1.310 243 HB2 GLN 60 HB2 GLN 60 11.997 -1.219 4.215 244 HB3 GLN 60 HB3 GLN 60 12.446 0.066 3.103 245 HG2 GLN 60 HG2 GLN 60 10.501 -0.437 1.726 246 HG3 GLN 60 HG3 GLN 60 10.056 -1.736 2.828 247 HE21 GLN 60 HE21 GLN 60 10.226 1.706 2.371 248 HE22 GLN 60 HE22 GLN 60 9.248 2.136 3.728 249 H GLN 61 HN GLN 61 13.977 -3.415 4.026 250 HA GLN 61 HA GLN 61 16.385 -1.825 4.240 251 HB2 GLN 61 HB2 GLN 61 15.651 -4.501 5.441 252 HB3 GLN 61 HB3 GLN 61 17.120 -3.610 5.811 253 HG2 GLN 61 HG2 GLN 61 14.313 -2.659 6.328 254 HG3 GLN 61 HG3 GLN 61 15.417 -3.321 7.532 255 HE21 GLN 61 HE21 GLN 61 14.106 -0.689 7.344 256 HE22 GLN 61 HE22 GLN 61 15.383 0.473 7.402 257 H ARG 62 HN ARG 62 15.354 -4.325 2.167 258 HA ARG 62 HA ARG 62 18.002 -5.385 1.663 259 HB2 ARG 62 HB2 ARG 62 15.381 -5.862 0.229 260 HB3 ARG 62 HB3 ARG 62 16.873 -6.745 -0.061 261 HG2 ARG 62 HG2 ARG 62 16.787 -7.802 2.027 262 HG3 ARG 62 HG3 ARG 62 15.589 -6.665 2.647 263 HD2 ARG 62 HD2 ARG 62 13.963 -7.551 1.008 264 HD3 ARG 62 HD3 ARG 62 15.159 -8.742 0.502 265 HE ARG 62 HE ARG 62 15.038 -9.282 3.083 266 HH11 ARG 62 HH11 ARG 62 12.403 -8.632 0.862 267 HH12 ARG 62 HH12 ARG 62 11.273 -9.613 1.732 268 HH21 ARG 62 HH21 ARG 62 13.544 -10.572 4.213 269 HH22 ARG 62 HH22 ARG 62 11.921 -10.716 3.630 270 H LEU 63 HN LEU 63 15.754 -3.110 0.188 271 HA LEU 63 HA LEU 63 17.637 -2.615 -2.022 272 HB2 LEU 63 HB2 LEU 63 14.761 -1.774 -1.693 273 HB3 LEU 63 HB3 LEU 63 15.768 -1.460 -3.095 274 HG LEU 63 HG LEU 63 15.973 -4.163 -2.934 275 HD11 LEU 63 HD11 LEU 63 13.690 -5.030 -2.566 276 HD12 LEU 63 HD12 LEU 63 13.214 -3.442 -1.965 277 HD13 LEU 63 HD13 LEU 63 14.431 -4.383 -1.104 278 HD21 LEU 63 HD21 LEU 63 15.478 -2.889 -4.939 279 HD22 LEU 63 HD22 LEU 63 13.844 -2.571 -4.358 280 HD23 LEU 63 HD23 LEU 63 14.332 -4.217 -4.760 281 H GLY 64 HN GLY 64 16.279 -1.151 0.849 282 HA2 GLY 64 HA2 GLY 64 17.350 0.688 1.909 283 HA3 GLY 64 HA1 GLY 64 17.932 1.225 0.341 284 H ILE 65 HN ILE 65 14.686 0.310 0.188 285 HA ILE 65 HA ILE 65 13.721 2.819 -0.522 286 HB ILE 65 HB ILE 65 12.070 0.582 0.664 287 HG12 ILE 65 HG12 ILE 65 12.961 1.077 -2.186 288 HG13 ILE 65 HG13 ILE 65 13.397 -0.292 -1.171 289 HG21 ILE 65 HG21 ILE 65 10.883 2.703 0.509 290 HG22 ILE 65 HG22 ILE 65 10.248 1.545 -0.659 291 HG23 ILE 65 HG23 ILE 65 11.322 2.838 -1.194 292 HD11 ILE 65 HD11 ILE 65 11.766 -1.058 -2.681 293 HD12 ILE 65 HD12 ILE 65 10.727 0.335 -2.385 294 HD13 ILE 65 HD13 ILE 65 10.950 -0.881 -1.128 295 HA PRO 66 HA PRO 66 13.433 4.767 3.489 296 HB2 PRO 66 HB2 PRO 66 12.369 7.112 2.666 297 HB3 PRO 66 HB3 PRO 66 14.064 6.694 2.397 298 HG2 PRO 66 HG2 PRO 66 11.752 6.541 0.508 299 HG3 PRO 66 HG3 PRO 66 13.402 7.115 0.211 300 HD2 PRO 66 HD2 PRO 66 12.529 4.632 -0.502 301 HD3 PRO 66 HD3 PRO 66 14.217 4.991 -0.094 302 H LYS 67 HN LYS 67 11.650 6.029 4.714 303 HA LYS 67 HA LYS 67 9.147 4.536 4.381 304 HB2 LYS 67 HB2 LYS 67 9.854 6.253 6.749 305 HB3 LYS 67 HB3 LYS 67 8.708 4.924 6.667 306 HG2 LYS 67 HG2 LYS 67 11.707 4.677 6.509 307 HG3 LYS 67 HG3 LYS 67 10.707 4.320 7.918 308 HD2 LYS 67 HD2 LYS 67 9.542 2.578 6.600 309 HD3 LYS 67 HD3 LYS 67 10.636 2.903 5.253 310 HE2 LYS 67 HE2 LYS 67 12.542 2.363 6.781 311 HE3 LYS 67 HE3 LYS 67 11.359 1.856 7.986 312 HZ1 LYS 67 HZ1 LYS 67 12.167 -0.036 6.764 313 HZ2 LYS 67 HZ2 LYS 67 11.734 0.671 5.290 314 HZ3 LYS 67 HZ3 LYS 67 10.535 0.210 6.391 315 H ASP 68 HN ASP 68 9.578 6.681 2.567 316 HA ASP 68 HA ASP 68 7.281 8.340 3.241 317 HB2 ASP 68 HB2 ASP 68 9.977 9.518 2.543 318 HB3 ASP 68 HB3 ASP 68 8.474 10.429 2.628 319 HA PRO 69 HA PRO 69 6.618 7.066 -1.061 320 HB2 PRO 69 HB2 PRO 69 4.242 8.802 -0.678 321 HB3 PRO 69 HB3 PRO 69 4.341 7.123 -1.219 322 HG2 PRO 69 HG2 PRO 69 3.449 7.765 1.225 323 HG3 PRO 69 HG3 PRO 69 4.386 6.293 0.928 324 HD2 PRO 69 HD2 PRO 69 5.234 8.861 2.174 325 HD3 PRO 69 HD3 PRO 69 5.736 7.203 2.554 326 H ARG 70 HN ARG 70 6.210 10.402 0.170 327 HA ARG 70 HA ARG 70 6.302 11.664 -2.352 328 HB2 ARG 70 HB2 ARG 70 7.104 12.751 0.355 329 HB3 ARG 70 HB3 ARG 70 6.861 13.720 -1.090 330 HG2 ARG 70 HG2 ARG 70 4.810 14.013 -0.227 331 HG3 ARG 70 HG3 ARG 70 4.490 12.447 -0.974 332 HD2 ARG 70 HD2 ARG 70 3.687 12.435 1.302 333 HD3 ARG 70 HD3 ARG 70 5.063 11.349 1.158 334 HE ARG 70 HE ARG 70 5.425 14.082 2.177 335 HH11 ARG 70 HH11 ARG 70 5.674 10.621 2.654 336 HH12 ARG 70 HH12 ARG 70 6.559 10.768 4.130 337 HH21 ARG 70 HH21 ARG 70 6.599 14.262 4.116 338 HH22 ARG 70 HH22 ARG 70 7.091 12.831 4.957 339 H GLN 71 HN GLN 71 8.806 10.558 -0.161 340 HA GLN 71 HA GLN 71 10.899 11.659 -1.874 341 HB2 GLN 71 HB2 GLN 71 10.953 10.345 0.837 342 HB3 GLN 71 HB3 GLN 71 12.416 10.713 -0.063 343 HG2 GLN 71 HG2 GLN 71 12.068 12.453 1.509 344 HG3 GLN 71 HG3 GLN 71 11.721 13.097 -0.094 345 HE21 GLN 71 HE21 GLN 71 10.307 11.994 2.917 346 HE22 GLN 71 HE22 GLN 71 8.788 12.789 2.714 347 H TRP 72 HN TRP 72 9.306 9.628 -3.007 348 HA TRP 72 HA TRP 72 11.188 7.351 -3.126 349 HB2 TRP 72 HB2 TRP 72 8.207 7.543 -3.310 350 HB3 TRP 72 HB3 TRP 72 9.008 6.321 -4.281 351 HD1 TRP 72 HD1 TRP 72 10.747 6.835 -1.017 352 HE1 TRP 72 HE1 TRP 72 10.166 4.909 0.589 353 HE3 TRP 72 HE3 TRP 72 6.903 4.730 -3.640 354 HZ2 TRP 72 HZ2 TRP 72 8.317 2.776 0.721 355 HZ3 TRP 72 HZ3 TRP 72 5.780 2.752 -2.709 356 HH2 TRP 72 HH2 TRP 72 6.475 1.798 -0.576 357 H THR 73 HN THR 73 11.140 6.240 -5.341 358 HA THR 73 HA THR 73 10.671 8.122 -7.491 359 HB THR 73 HB THR 73 13.096 8.120 -7.003 360 HG1 THR 73 HG1 THR 73 13.185 8.475 -9.080 361 HG21 THR 73 HG21 THR 73 13.348 5.871 -6.157 362 HG22 THR 73 HG22 THR 73 14.395 6.080 -7.561 363 HG23 THR 73 HG23 THR 73 12.879 5.195 -7.716 364 H GLU 74 HN GLU 74 11.148 6.721 -9.719 365 HA GLU 74 HA GLU 74 8.945 5.109 -10.062 366 HB2 GLU 74 HB2 GLU 74 11.570 4.930 -11.551 367 HB3 GLU 74 HB3 GLU 74 10.039 4.263 -12.102 368 HG2 GLU 74 HG2 GLU 74 9.103 6.556 -12.113 369 HG3 GLU 74 HG3 GLU 74 10.702 7.170 -11.701 370 H THR 75 HN THR 75 12.224 4.074 -9.154 371 HA THR 75 HA THR 75 11.692 1.306 -9.272 372 HB THR 75 HB THR 75 13.767 2.644 -7.526 373 HG1 THR 75 HG1 THR 75 13.947 1.822 -10.256 374 HG21 THR 75 HG21 THR 75 13.500 0.294 -7.024 375 HG22 THR 75 HG22 THR 75 15.005 0.525 -7.914 376 HG23 THR 75 HG23 THR 75 13.583 -0.117 -8.738 377 H HIS 76 HN HIS 76 11.773 3.549 -6.483 378 HA HIS 76 HA HIS 76 11.106 1.641 -4.526 379 HB2 HIS 76 HB2 HIS 76 10.585 4.620 -4.539 380 HB3 HIS 76 HB3 HIS 76 10.426 3.582 -3.127 381 HD1 HIS 76 HD1 HIS 76 12.478 6.024 -3.548 382 HD2 HIS 76 HD2 HIS 76 13.347 1.966 -3.734 383 HE1 HIS 76 HE1 HIS 76 14.934 5.841 -3.050 384 HE2 HIS 76 HE2 HIS 76 15.415 3.368 -3.063 385 H VAL 77 HN VAL 77 9.062 3.791 -6.456 386 HA VAL 77 HA VAL 77 6.578 3.240 -5.274 387 HB VAL 77 HB VAL 77 7.293 4.035 -8.104 388 HG11 VAL 77 HG11 VAL 77 4.567 3.857 -6.816 389 HG12 VAL 77 HG12 VAL 77 5.147 2.916 -8.190 390 HG13 VAL 77 HG13 VAL 77 4.910 4.656 -8.351 391 HG21 VAL 77 HG21 VAL 77 7.850 5.676 -6.415 392 HG22 VAL 77 HG22 VAL 77 6.231 5.558 -5.725 393 HG23 VAL 77 HG23 VAL 77 6.454 6.231 -7.340 394 H ARG 78 HN ARG 78 8.129 1.760 -8.144 395 HA ARG 78 HA ARG 78 6.044 -0.162 -8.560 396 HB2 ARG 78 HB2 ARG 78 7.518 0.668 -10.377 397 HB3 ARG 78 HB3 ARG 78 8.884 -0.143 -9.622 398 HG2 ARG 78 HG2 ARG 78 7.690 -2.302 -9.909 399 HG3 ARG 78 HG3 ARG 78 6.432 -1.438 -10.795 400 HD2 ARG 78 HD2 ARG 78 8.161 -0.668 -12.396 401 HD3 ARG 78 HD3 ARG 78 9.343 -1.661 -11.544 402 HE ARG 78 HE ARG 78 7.238 -3.331 -12.232 403 HH11 ARG 78 HH11 ARG 78 9.630 -1.390 -13.896 404 HH12 ARG 78 HH12 ARG 78 9.667 -2.416 -15.291 405 HH21 ARG 78 HH21 ARG 78 7.292 -4.677 -14.068 406 HH22 ARG 78 HH22 ARG 78 8.340 -4.282 -15.389 407 H ASP 79 HN ASP 79 9.291 -0.354 -7.061 408 HA ASP 79 HA ASP 79 9.304 -3.110 -6.667 409 HB2 ASP 79 HB2 ASP 79 11.253 -1.569 -6.265 410 HB3 ASP 79 HB3 ASP 79 10.496 -1.077 -4.753 411 H TRP 80 HN TRP 80 7.876 -0.534 -4.704 412 HA TRP 80 HA TRP 80 7.067 -2.234 -2.584 413 HB2 TRP 80 HB2 TRP 80 7.087 0.029 -1.964 414 HB3 TRP 80 HB3 TRP 80 6.268 0.538 -3.436 415 HD1 TRP 80 HD1 TRP 80 5.436 -1.370 -0.158 416 HE1 TRP 80 HE1 TRP 80 2.976 -0.903 0.424 417 HE3 TRP 80 HE3 TRP 80 4.146 1.391 -4.258 418 HZ2 TRP 80 HZ2 TRP 80 0.773 0.452 -0.710 419 HZ3 TRP 80 HZ3 TRP 80 1.842 2.233 -4.435 420 HH2 TRP 80 HH2 TRP 80 0.193 1.773 -2.697 421 H VAL 81 HN VAL 81 5.081 -0.650 -5.106 422 HA VAL 81 HA VAL 81 2.733 -1.935 -4.934 423 HB VAL 81 HB VAL 81 4.274 -1.312 -7.459 424 HG11 VAL 81 HG11 VAL 81 1.426 -2.254 -7.181 425 HG12 VAL 81 HG12 VAL 81 2.726 -3.010 -8.100 426 HG13 VAL 81 HG13 VAL 81 2.063 -1.461 -8.620 427 HG21 VAL 81 HG21 VAL 81 1.978 0.086 -6.094 428 HG22 VAL 81 HG22 VAL 81 2.748 0.593 -7.597 429 HG23 VAL 81 HG23 VAL 81 3.662 0.606 -6.090 430 H MET 82 HN MET 82 5.467 -3.227 -6.832 431 HA MET 82 HA MET 82 4.366 -5.686 -7.520 432 HB2 MET 82 HB2 MET 82 6.503 -4.651 -8.384 433 HB3 MET 82 HB3 MET 82 7.284 -5.200 -6.908 434 HG2 MET 82 HG2 MET 82 6.937 -7.479 -7.472 435 HG3 MET 82 HG3 MET 82 5.873 -7.049 -8.811 436 HE1 MET 82 HE1 MET 82 6.737 -5.853 -11.057 437 HE2 MET 82 HE2 MET 82 8.412 -5.354 -11.295 438 HE3 MET 82 HE3 MET 82 7.426 -4.572 -10.059 439 H TRP 83 HN TRP 83 6.333 -4.816 -4.685 440 HA TRP 83 HA TRP 83 6.474 -7.325 -3.485 441 HB2 TRP 83 HB2 TRP 83 7.865 -5.710 -2.529 442 HB3 TRP 83 HB3 TRP 83 6.577 -4.517 -2.423 443 HD1 TRP 83 HD1 TRP 83 8.059 -7.496 -0.550 444 HE1 TRP 83 HE1 TRP 83 7.074 -7.553 1.824 445 HE3 TRP 83 HE3 TRP 83 4.503 -3.858 -1.058 446 HZ2 TRP 83 HZ2 TRP 83 5.051 -6.233 3.287 447 HZ3 TRP 83 HZ3 TRP 83 3.083 -3.318 0.875 448 HH2 TRP 83 HH2 TRP 83 3.353 -4.483 3.003 449 H ALA 84 HN ALA 84 3.914 -4.897 -3.403 450 HA ALA 84 HA ALA 84 2.362 -6.177 -1.373 451 HB1 ALA 84 HB1 ALA 84 0.590 -4.619 -2.031 452 HB2 ALA 84 HB2 ALA 84 1.527 -4.147 -3.449 453 HB3 ALA 84 HB3 ALA 84 2.134 -3.792 -1.831 454 H VAL 85 HN VAL 85 2.838 -6.772 -4.715 455 HA VAL 85 HA VAL 85 0.295 -8.061 -5.182 456 HB VAL 85 HB VAL 85 2.773 -8.193 -6.900 457 HG11 VAL 85 HG11 VAL 85 1.137 -9.900 -7.429 458 HG12 VAL 85 HG12 VAL 85 1.171 -8.679 -8.700 459 HG13 VAL 85 HG13 VAL 85 -0.137 -8.683 -7.516 460 HG21 VAL 85 HG21 VAL 85 0.549 -6.171 -6.818 461 HG22 VAL 85 HG22 VAL 85 1.575 -6.407 -8.235 462 HG23 VAL 85 HG23 VAL 85 2.287 -5.894 -6.709 463 H ASN 86 HN ASN 86 3.610 -8.999 -4.423 464 HA ASN 86 HA ASN 86 2.960 -11.835 -4.589 465 HB2 ASN 86 HB2 ASN 86 5.547 -10.421 -3.904 466 HB3 ASN 86 HB3 ASN 86 5.361 -12.166 -4.031 467 HD21 ASN 86 HD21 ASN 86 5.501 -9.160 -5.766 468 HD22 ASN 86 HD22 ASN 86 5.675 -9.846 -7.342 469 H GLU 87 HN GLU 87 3.468 -9.335 -2.195 470 HA GLU 87 HA GLU 87 3.697 -11.114 0.046 471 HB2 GLU 87 HB2 GLU 87 4.676 -8.824 -0.010 472 HB3 GLU 87 HB3 GLU 87 3.051 -8.156 -0.020 473 HG2 GLU 87 HG2 GLU 87 3.874 -8.012 2.189 474 HG3 GLU 87 HG3 GLU 87 2.656 -9.285 2.164 475 H PHE 88 HN PHE 88 1.107 -9.232 -1.469 476 HA PHE 88 HA PHE 88 -0.821 -10.403 0.413 477 HB2 PHE 88 HB2 PHE 88 -1.285 -8.063 -1.424 478 HB3 PHE 88 HB3 PHE 88 -2.309 -8.596 -0.098 479 HD1 PHE 88 HD2 PHE 88 -0.507 -8.953 2.116 480 HD2 PHE 88 HD1 PHE 88 -0.470 -5.976 -0.926 481 HE1 PHE 88 HE2 PHE 88 0.675 -7.420 3.635 482 HE2 PHE 88 HE1 PHE 88 0.713 -4.439 0.587 483 HZ PHE 88 HZ PHE 88 1.286 -5.161 2.872 484 H SER 89 HN SER 89 0.411 -11.360 -2.338 485 HA SER 89 HA SER 89 -0.268 -12.388 -4.256 486 HB2 SER 89 HB2 SER 89 -0.849 -14.019 -2.468 487 HB3 SER 89 HB3 SER 89 -2.480 -13.352 -2.427 488 HG SER 89 HG SER 89 -1.237 -14.917 -4.387 489 H LEU 90 HN LEU 90 -0.924 -9.927 -4.729 490 HA LEU 90 HA LEU 90 -3.761 -9.680 -5.243 491 HB2 LEU 90 HB2 LEU 90 -1.511 -7.756 -5.822 492 HB3 LEU 90 HB3 LEU 90 -3.216 -7.400 -6.002 493 HG LEU 90 HG LEU 90 -1.753 -7.952 -3.420 494 HD11 LEU 90 HD11 LEU 90 -2.293 -5.663 -2.876 495 HD12 LEU 90 HD12 LEU 90 -3.154 -5.472 -4.403 496 HD13 LEU 90 HD13 LEU 90 -1.408 -5.719 -4.402 497 HD21 LEU 90 HD21 LEU 90 -3.972 -8.937 -3.326 498 HD22 LEU 90 HD22 LEU 90 -4.686 -7.426 -3.888 499 HD23 LEU 90 HD23 LEU 90 -3.894 -7.494 -2.314 500 H LYS 91 HN LYS 91 -4.320 -8.643 -7.489 501 HA LYS 91 HA LYS 91 -2.710 -9.609 -9.683 502 HB2 LYS 91 HB2 LYS 91 -4.335 -11.100 -10.638 503 HB3 LYS 91 HB3 LYS 91 -4.001 -11.619 -8.994 504 HG2 LYS 91 HG2 LYS 91 -6.375 -9.919 -9.703 505 HG3 LYS 91 HG3 LYS 91 -6.413 -11.682 -9.738 506 HD2 LYS 91 HD2 LYS 91 -5.742 -11.708 -7.358 507 HD3 LYS 91 HD3 LYS 91 -5.809 -9.945 -7.344 508 HE2 LYS 91 HE2 LYS 91 -7.855 -10.801 -6.425 509 HE3 LYS 91 HE3 LYS 91 -8.198 -10.078 -7.995 510 HZ1 LYS 91 HZ1 LYS 91 -8.256 -12.262 -8.979 511 HZ2 LYS 91 HZ2 LYS 91 -9.325 -12.214 -7.669 512 HZ3 LYS 91 HZ3 LYS 91 -7.828 -12.986 -7.511 513 H GLY 92 HN GLY 92 -3.394 -8.864 -11.745 514 HA2 GLY 92 HA2 GLY 92 -4.597 -7.531 -13.233 515 HA3 GLY 92 HA1 GLY 92 -5.672 -7.076 -11.924 516 H VAL 93 HN VAL 93 -2.740 -6.521 -10.615 517 HA VAL 93 HA VAL 93 -2.932 -3.694 -11.055 518 HB VAL 93 HB VAL 93 -2.339 -4.631 -8.842 519 HG11 VAL 93 HG11 VAL 93 -0.162 -5.524 -8.405 520 HG12 VAL 93 HG12 VAL 93 0.328 -5.279 -10.080 521 HG13 VAL 93 HG13 VAL 93 -0.913 -6.471 -9.689 522 HG21 VAL 93 HG21 VAL 93 -0.574 -3.025 -8.323 523 HG22 VAL 93 HG22 VAL 93 -1.786 -2.316 -9.390 524 HG23 VAL 93 HG23 VAL 93 -0.232 -2.837 -10.043 525 H ASP 94 HN ASP 94 -1.734 -2.419 -12.325 526 HA ASP 94 HA ASP 94 0.252 -3.724 -14.049 527 HB2 ASP 94 HB2 ASP 94 -1.313 -1.164 -14.430 528 HB3 ASP 94 HB3 ASP 94 -0.131 -1.800 -15.567 529 H PHE 95 HN PHE 95 2.321 -3.055 -14.138 530 HA PHE 95 HA PHE 95 3.203 -1.122 -12.137 531 HB2 PHE 95 HB2 PHE 95 4.841 -2.863 -14.009 532 HB3 PHE 95 HB3 PHE 95 5.465 -1.913 -12.665 533 HD1 PHE 95 HD2 PHE 95 4.310 -2.442 -10.340 534 HD2 PHE 95 HD1 PHE 95 4.442 -5.095 -13.665 535 HE1 PHE 95 HE2 PHE 95 3.942 -4.347 -8.831 536 HE2 PHE 95 HE1 PHE 95 4.071 -7.007 -12.159 537 HZ PHE 95 HZ PHE 95 3.822 -6.633 -9.738 538 H GLN 96 HN GLN 96 2.847 -1.392 -15.604 539 HA GLN 96 HA GLN 96 4.481 0.752 -16.418 540 HB2 GLN 96 HB2 GLN 96 1.881 -0.217 -17.630 541 HB3 GLN 96 HB3 GLN 96 3.049 0.830 -18.425 542 HG2 GLN 96 HG2 GLN 96 4.705 -0.939 -18.381 543 HG3 GLN 96 HG3 GLN 96 3.588 -1.988 -17.511 544 HE21 GLN 96 HE21 GLN 96 4.897 -2.388 -20.092 545 HE22 GLN 96 HE22 GLN 96 3.627 -2.630 -21.238 546 H LYS 97 HN LYS 97 1.231 0.604 -15.105 547 HA LYS 97 HA LYS 97 0.450 3.296 -15.563 548 HB2 LYS 97 HB2 LYS 97 -0.439 1.364 -13.412 549 HB3 LYS 97 HB3 LYS 97 -1.262 2.849 -13.871 550 HG2 LYS 97 HG2 LYS 97 -0.865 0.423 -15.609 551 HG3 LYS 97 HG3 LYS 97 -2.370 0.932 -14.842 552 HD2 LYS 97 HD2 LYS 97 -2.305 3.015 -16.156 553 HD3 LYS 97 HD3 LYS 97 -0.833 2.452 -16.948 554 HE2 LYS 97 HE2 LYS 97 -2.073 0.500 -17.801 555 HE3 LYS 97 HE3 LYS 97 -3.542 1.132 -17.058 556 HZ1 LYS 97 HZ1 LYS 97 -1.960 2.476 -19.183 557 HZ2 LYS 97 HZ2 LYS 97 -3.362 3.091 -18.466 558 HZ3 LYS 97 HZ3 LYS 97 -3.439 1.684 -19.401 559 H PHE 98 HN PHE 98 2.251 1.696 -12.973 560 HA PHE 98 HA PHE 98 2.417 4.230 -11.504 561 HB2 PHE 98 HB2 PHE 98 3.221 1.438 -10.660 562 HB3 PHE 98 HB3 PHE 98 3.318 2.875 -9.649 563 HD1 PHE 98 HD1 PHE 98 0.924 4.245 -9.768 564 HD2 PHE 98 HD2 PHE 98 1.497 0.042 -10.117 565 HE1 PHE 98 HE1 PHE 98 -1.386 3.871 -9.012 566 HE2 PHE 98 HE2 PHE 98 -0.813 -0.338 -9.363 567 HZ PHE 98 HZ PHE 98 -2.257 1.579 -8.810 568 H CYS 99 HN CYS 99 3.876 3.887 -13.979 569 HA CYS 99 HA CYS 99 6.646 3.479 -13.210 570 HB2 CYS 99 HB2 CYS 99 5.757 2.703 -15.417 571 HB3 CYS 99 HB3 CYS 99 5.522 4.387 -15.871 572 HG CYS 99 HG CYS 99 8.558 2.979 -15.145 573 H MET 100 HN MET 100 6.267 5.298 -11.597 574 HA MET 100 HA MET 100 7.505 7.692 -12.624 575 HB2 MET 100 HB2 MET 100 5.791 9.253 -12.036 576 HB3 MET 100 HB3 MET 100 5.036 8.031 -13.048 577 HG2 MET 100 HG2 MET 100 4.296 6.911 -10.898 578 HG3 MET 100 HG3 MET 100 4.799 8.387 -10.077 579 HE1 MET 100 HE1 MET 100 2.098 6.594 -12.128 580 HE2 MET 100 HE2 MET 100 2.882 7.491 -13.429 581 HE3 MET 100 HE3 MET 100 1.239 7.902 -12.942 582 H SER 101 HN SER 101 7.767 9.332 -10.770 583 HA SER 101 HA SER 101 8.934 7.925 -8.549 584 HB2 SER 101 HB2 SER 101 8.601 10.893 -9.103 585 HB3 SER 101 HB3 SER 101 9.497 10.230 -7.737 586 HG SER 101 HG SER 101 11.116 9.984 -9.035 587 H GLY 102 HN GLY 102 8.470 8.364 -6.311 588 HA2 GLY 102 HA2 GLY 102 5.787 7.939 -5.632 589 HA3 GLY 102 HA1 GLY 102 7.066 8.362 -4.507 590 H ALA 103 HN ALA 103 7.698 10.924 -5.690 591 HA ALA 103 HA ALA 103 5.965 12.607 -4.292 592 HB1 ALA 103 HB1 ALA 103 7.033 14.444 -5.482 593 HB2 ALA 103 HB2 ALA 103 7.692 13.318 -6.668 594 HB3 ALA 103 HB3 ALA 103 8.232 13.249 -4.990 595 H ALA 104 HN ALA 104 5.939 11.587 -7.680 596 HA ALA 104 HA ALA 104 3.768 13.285 -8.464 597 HB1 ALA 104 HB1 ALA 104 5.404 12.443 -10.083 598 HB2 ALA 104 HB2 ALA 104 3.762 11.975 -10.525 599 HB3 ALA 104 HB3 ALA 104 4.848 10.795 -9.792 600 H LEU 105 HN LEU 105 4.099 9.878 -7.535 601 HA LEU 105 HA LEU 105 1.493 9.003 -7.970 602 HB2 LEU 105 HB2 LEU 105 3.593 7.686 -7.306 603 HB3 LEU 105 HB3 LEU 105 3.189 8.107 -5.653 604 HG LEU 105 HG LEU 105 0.948 7.007 -6.035 605 HD11 LEU 105 HD11 LEU 105 2.350 6.014 -8.512 606 HD12 LEU 105 HD12 LEU 105 0.916 7.040 -8.456 607 HD13 LEU 105 HD13 LEU 105 0.834 5.378 -7.875 608 HD21 LEU 105 HD21 LEU 105 3.414 5.288 -6.286 609 HD22 LEU 105 HD22 LEU 105 1.837 4.760 -5.700 610 HD23 LEU 105 HD23 LEU 105 2.766 5.947 -4.785 611 H CYS 106 HN CYS 106 2.899 10.512 -5.064 612 HA CYS 106 HA CYS 106 0.543 10.377 -3.499 613 HB2 CYS 106 HB2 CYS 106 2.798 10.731 -2.541 614 HB3 CYS 106 HB3 CYS 106 2.850 12.328 -3.279 615 HG CYS 106 HG CYS 106 0.589 11.374 -0.893 616 H ALA 107 HN ALA 107 1.868 12.843 -5.654 617 HA ALA 107 HA ALA 107 -0.042 14.864 -5.125 618 HB1 ALA 107 HB1 ALA 107 0.780 15.934 -7.127 619 HB2 ALA 107 HB2 ALA 107 1.546 14.435 -7.651 620 HB3 ALA 107 HB3 ALA 107 2.133 15.268 -6.212 621 H LEU 108 HN LEU 108 -0.180 11.989 -7.075 622 HA LEU 108 HA LEU 108 -2.233 12.783 -8.854 623 HB2 LEU 108 HB2 LEU 108 -1.161 10.129 -7.971 624 HB3 LEU 108 HB3 LEU 108 -2.566 10.223 -9.011 625 HG LEU 108 HG LEU 108 0.124 11.411 -9.687 626 HD11 LEU 108 HD11 LEU 108 0.217 8.965 -9.558 627 HD12 LEU 108 HD12 LEU 108 0.382 9.543 -11.216 628 HD13 LEU 108 HD13 LEU 108 -1.149 8.861 -10.669 629 HD21 LEU 108 HD21 LEU 108 -2.373 11.000 -11.328 630 HD22 LEU 108 HD22 LEU 108 -0.825 11.575 -11.948 631 HD23 LEU 108 HD23 LEU 108 -1.722 12.546 -10.781 632 H GLY 109 HN GLY 109 -2.279 11.379 -5.620 633 HA2 GLY 109 HA2 GLY 109 -4.048 11.426 -4.107 634 HA3 GLY 109 HA1 GLY 109 -5.102 11.991 -5.394 635 H LYS 110 HN LYS 110 -6.148 10.172 -3.747 636 HA LYS 110 HA LYS 110 -5.712 7.470 -4.347 637 HB2 LYS 110 HB2 LYS 110 -6.953 8.207 -2.375 638 HB3 LYS 110 HB3 LYS 110 -8.244 8.817 -3.400 639 HG2 LYS 110 HG2 LYS 110 -8.810 6.601 -4.114 640 HG3 LYS 110 HG3 LYS 110 -7.412 5.928 -3.275 641 HD2 LYS 110 HD2 LYS 110 -9.296 5.513 -1.895 642 HD3 LYS 110 HD3 LYS 110 -8.400 6.832 -1.143 643 HE2 LYS 110 HE2 LYS 110 -9.954 8.430 -2.262 644 HE3 LYS 110 HE3 LYS 110 -10.899 7.046 -2.812 645 HZ1 LYS 110 HZ1 LYS 110 -11.799 8.035 -0.785 646 HZ2 LYS 110 HZ2 LYS 110 -10.352 7.717 0.030 647 HZ3 LYS 110 HZ3 LYS 110 -11.308 6.437 -0.525 648 H GLU 111 HN GLU 111 -8.131 9.729 -5.696 649 HA GLU 111 HA GLU 111 -9.490 7.988 -7.376 650 HB2 GLU 111 HB2 GLU 111 -10.007 9.980 -8.765 651 HB3 GLU 111 HB3 GLU 111 -10.273 10.243 -7.050 652 HG2 GLU 111 HG2 GLU 111 -8.079 11.402 -6.944 653 HG3 GLU 111 HG3 GLU 111 -7.956 11.232 -8.694 654 H CYS 112 HN CYS 112 -6.580 9.912 -8.234 655 HA CYS 112 HA CYS 112 -6.379 8.825 -10.841 656 HB2 CYS 112 HB2 CYS 112 -4.349 10.198 -9.082 657 HB3 CYS 112 HB3 CYS 112 -4.023 9.724 -10.744 658 HG CYS 112 HG CYS 112 -4.921 12.564 -9.949 659 H PHE 113 HN PHE 113 -4.943 7.911 -7.733 660 HA PHE 113 HA PHE 113 -3.161 5.962 -8.700 661 HB2 PHE 113 HB2 PHE 113 -3.139 6.962 -6.405 662 HB3 PHE 113 HB3 PHE 113 -4.565 6.006 -6.020 663 HD1 PHE 113 HD1 PHE 113 -1.021 5.751 -7.053 664 HD2 PHE 113 HD2 PHE 113 -4.364 3.801 -5.289 665 HE1 PHE 113 HE1 PHE 113 0.429 3.880 -6.384 666 HE2 PHE 113 HE2 PHE 113 -2.922 1.925 -4.618 667 HZ PHE 113 HZ PHE 113 -0.520 1.964 -5.167 668 H LEU 114 HN LEU 114 -6.531 5.741 -7.590 669 HA LEU 114 HA LEU 114 -6.760 2.936 -7.893 670 HB2 LEU 114 HB2 LEU 114 -8.625 5.194 -7.450 671 HB3 LEU 114 HB3 LEU 114 -9.316 3.736 -8.137 672 HG LEU 114 HG LEU 114 -8.551 2.435 -6.220 673 HD11 LEU 114 HD11 LEU 114 -6.518 3.681 -5.706 674 HD12 LEU 114 HD12 LEU 114 -7.543 3.519 -4.281 675 HD13 LEU 114 HD13 LEU 114 -7.486 5.047 -5.156 676 HD21 LEU 114 HD21 LEU 114 -10.745 3.489 -6.117 677 HD22 LEU 114 HD22 LEU 114 -10.027 4.938 -5.415 678 HD23 LEU 114 HD23 LEU 114 -10.002 3.419 -4.520 679 H GLU 115 HN GLU 115 -6.993 5.592 -10.132 680 HA GLU 115 HA GLU 115 -8.336 4.157 -12.209 681 HB2 GLU 115 HB2 GLU 115 -6.729 6.706 -12.151 682 HB3 GLU 115 HB3 GLU 115 -7.366 6.045 -13.652 683 HG2 GLU 115 HG2 GLU 115 -9.616 6.255 -12.862 684 HG3 GLU 115 HG3 GLU 115 -9.058 6.723 -11.258 685 H LEU 116 HN LEU 116 -5.067 4.331 -11.084 686 HA LEU 116 HA LEU 116 -3.897 3.288 -13.523 687 HB2 LEU 116 HB2 LEU 116 -2.711 3.760 -10.787 688 HB3 LEU 116 HB3 LEU 116 -1.802 3.273 -12.203 689 HG LEU 116 HG LEU 116 -3.337 5.863 -12.003 690 HD11 LEU 116 HD11 LEU 116 -1.544 5.840 -10.362 691 HD12 LEU 116 HD12 LEU 116 -1.155 6.930 -11.694 692 HD13 LEU 116 HD13 LEU 116 -0.395 5.341 -11.604 693 HD21 LEU 116 HD21 LEU 116 -1.262 4.900 -13.968 694 HD22 LEU 116 HD22 LEU 116 -2.019 6.493 -13.958 695 HD23 LEU 116 HD23 LEU 116 -2.990 5.057 -14.282 696 H ALA 117 HN ALA 117 -4.871 2.117 -10.353 697 HA ALA 117 HA ALA 117 -3.928 -0.589 -11.034 698 HB1 ALA 117 HB1 ALA 117 -4.431 0.816 -8.450 699 HB2 ALA 117 HB2 ALA 117 -3.037 -0.137 -8.963 700 HB3 ALA 117 HB3 ALA 117 -4.540 -0.942 -8.517 701 HA PRO 118 HA PRO 118 -7.952 -2.313 -11.564 702 HB2 PRO 118 HB2 PRO 118 -7.895 -4.489 -9.853 703 HB3 PRO 118 HB3 PRO 118 -7.220 -4.464 -11.484 704 HG2 PRO 118 HG2 PRO 118 -5.850 -4.105 -8.860 705 HG3 PRO 118 HG3 PRO 118 -5.302 -4.977 -10.301 706 HD2 PRO 118 HD2 PRO 118 -4.345 -2.548 -9.694 707 HD3 PRO 118 HD3 PRO 118 -4.632 -3.034 -11.376 708 H ASP 119 HN ASP 119 -9.889 -3.175 -10.326 709 HA ASP 119 HA ASP 119 -10.801 -1.211 -8.528 710 HB2 ASP 119 HB2 ASP 119 -11.971 -3.883 -9.261 711 HB3 ASP 119 HB3 ASP 119 -12.814 -2.641 -8.341 712 H PHE 120 HN PHE 120 -8.899 -3.957 -7.837 713 HA PHE 120 HA PHE 120 -9.984 -3.951 -5.127 714 HB2 PHE 120 HB2 PHE 120 -8.380 -6.198 -6.368 715 HB3 PHE 120 HB3 PHE 120 -9.134 -6.225 -4.777 716 HD1 PHE 120 HD2 PHE 120 -11.660 -6.070 -4.647 717 HD2 PHE 120 HD1 PHE 120 -9.568 -6.845 -8.271 718 HE1 PHE 120 HE2 PHE 120 -13.721 -6.971 -5.641 719 HE2 PHE 120 HE1 PHE 120 -11.626 -7.745 -9.272 720 HZ PHE 120 HZ PHE 120 -13.707 -7.810 -7.957 721 H VAL 121 HN VAL 121 -6.824 -4.416 -6.742 722 HA VAL 121 HA VAL 121 -5.284 -4.044 -4.410 723 HB VAL 121 HB VAL 121 -3.368 -3.979 -5.738 724 HG11 VAL 121 HG11 VAL 121 -3.613 -5.776 -7.314 725 HG12 VAL 121 HG12 VAL 121 -5.349 -5.495 -7.427 726 HG13 VAL 121 HG13 VAL 121 -4.649 -6.088 -5.921 727 HG21 VAL 121 HG21 VAL 121 -3.607 -2.184 -7.170 728 HG22 VAL 121 HG22 VAL 121 -5.121 -2.786 -7.839 729 HG23 VAL 121 HG23 VAL 121 -3.596 -3.558 -8.274 730 H GLY 122 HN GLY 122 -6.636 -1.725 -6.685 731 HA2 GLY 122 HA2 GLY 122 -5.137 0.535 -6.217 732 HA3 GLY 122 HA1 GLY 122 -6.867 0.559 -6.520 733 H ASP 123 HN ASP 123 -7.809 -0.694 -4.219 734 HA ASP 123 HA ASP 123 -7.724 1.451 -2.348 735 HB2 ASP 123 HB2 ASP 123 -9.731 0.056 -2.695 736 HB3 ASP 123 HB3 ASP 123 -8.870 -1.324 -2.020 737 H ILE 124 HN ILE 124 -6.550 -1.900 -2.263 738 HA ILE 124 HA ILE 124 -5.463 -1.962 0.284 739 HB ILE 124 HB ILE 124 -4.299 -3.311 -2.155 740 HG12 ILE 124 HG12 ILE 124 -6.366 -4.382 -0.222 741 HG13 ILE 124 HG13 ILE 124 -6.740 -3.751 -1.824 742 HG21 ILE 124 HG21 ILE 124 -2.803 -3.373 -0.252 743 HG22 ILE 124 HG22 ILE 124 -3.481 -4.975 -0.539 744 HG23 ILE 124 HG23 ILE 124 -4.099 -3.979 0.778 745 HD11 ILE 124 HD11 ILE 124 -5.011 -6.132 -1.213 746 HD12 ILE 124 HD12 ILE 124 -5.339 -5.486 -2.821 747 HD13 ILE 124 HD13 ILE 124 -6.654 -6.162 -1.858 748 H LEU 125 HN LEU 125 -3.743 -1.227 -2.747 749 HA LEU 125 HA LEU 125 -1.268 -0.625 -1.602 750 HB2 LEU 125 HB2 LEU 125 -2.599 0.035 -4.195 751 HB3 LEU 125 HB3 LEU 125 -1.150 0.923 -3.774 752 HG LEU 125 HG LEU 125 0.118 -1.153 -3.625 753 HD11 LEU 125 HD11 LEU 125 -1.643 -2.639 -2.853 754 HD12 LEU 125 HD12 LEU 125 -0.879 -3.282 -4.307 755 HD13 LEU 125 HD13 LEU 125 -2.460 -2.505 -4.411 756 HD21 LEU 125 HD21 LEU 125 0.003 -0.025 -5.773 757 HD22 LEU 125 HD22 LEU 125 -1.467 -0.910 -6.178 758 HD23 LEU 125 HD23 LEU 125 0.059 -1.773 -5.996 759 H TRP 126 HN TRP 126 -3.861 1.698 -2.544 760 HA TRP 126 HA TRP 126 -2.474 3.968 -1.554 761 HB2 TRP 126 HB2 TRP 126 -4.250 4.501 -3.012 762 HB3 TRP 126 HB3 TRP 126 -5.377 3.409 -2.216 763 HD1 TRP 126 HD1 TRP 126 -3.882 6.915 -1.897 764 HE1 TRP 126 HE1 TRP 126 -5.319 8.282 -0.258 765 HE3 TRP 126 HE3 TRP 126 -6.968 3.197 -0.236 766 HZ2 TRP 126 HZ2 TRP 126 -7.477 7.840 1.509 767 HZ3 TRP 126 HZ3 TRP 126 -8.691 3.751 1.430 768 HH2 TRP 126 HH2 TRP 126 -8.939 6.024 2.284 769 H GLU 127 HN GLU 127 -4.394 1.558 0.146 770 HA GLU 127 HA GLU 127 -4.867 3.086 2.491 771 HB2 GLU 127 HB2 GLU 127 -4.711 0.131 1.924 772 HB3 GLU 127 HB3 GLU 127 -4.856 0.712 3.577 773 HG2 GLU 127 HG2 GLU 127 -6.934 1.786 3.084 774 HG3 GLU 127 HG3 GLU 127 -6.768 1.424 1.368 775 H HIS 128 HN HIS 128 -2.302 0.691 1.762 776 HA HIS 128 HA HIS 128 -0.791 1.306 4.102 777 HB2 HIS 128 HB2 HIS 128 -0.720 -0.887 2.898 778 HB3 HIS 128 HB3 HIS 128 0.144 -0.089 1.591 779 HD1 HIS 128 HD1 HIS 128 2.059 -1.860 2.124 780 HD2 HIS 128 HD2 HIS 128 1.358 0.978 5.077 781 HE1 HIS 128 HE1 HIS 128 4.072 -1.941 3.623 782 HE2 HIS 128 HE2 HIS 128 3.675 -0.141 5.340 783 H LEU 129 HN LEU 129 -0.757 2.388 0.764 784 HA LEU 129 HA LEU 129 1.727 3.714 0.731 785 HB2 LEU 129 HB2 LEU 129 0.339 3.182 -1.267 786 HB3 LEU 129 HB3 LEU 129 -0.789 4.430 -0.784 787 HG LEU 129 HG LEU 129 0.971 6.127 -1.072 788 HD11 LEU 129 HD11 LEU 129 3.068 5.524 -2.180 789 HD12 LEU 129 HD12 LEU 129 2.633 3.819 -2.068 790 HD13 LEU 129 HD13 LEU 129 2.919 4.754 -0.601 791 HD21 LEU 129 HD21 LEU 129 1.055 6.054 -3.507 792 HD22 LEU 129 HD22 LEU 129 -0.545 5.611 -2.913 793 HD23 LEU 129 HD23 LEU 129 0.564 4.360 -3.479 794 H GLU 130 HN GLU 130 -1.544 4.875 1.545 795 HA GLU 130 HA GLU 130 -0.754 7.531 2.043 796 HB2 GLU 130 HB2 GLU 130 -3.112 6.700 1.595 797 HB3 GLU 130 HB3 GLU 130 -3.143 6.183 3.277 798 HG2 GLU 130 HG2 GLU 130 -2.826 8.461 4.017 799 HG3 GLU 130 HG3 GLU 130 -2.678 9.009 2.349 800 H ILE 131 HN ILE 131 -0.730 4.639 3.963 801 HA ILE 131 HA ILE 131 -0.456 5.845 6.513 802 HB ILE 131 HB ILE 131 0.243 3.117 5.443 803 HG12 ILE 131 HG12 ILE 131 -1.761 3.909 7.556 804 HG13 ILE 131 HG13 ILE 131 -2.155 3.848 5.842 805 HG21 ILE 131 HG21 ILE 131 0.630 4.108 8.261 806 HG22 ILE 131 HG22 ILE 131 1.881 3.552 7.150 807 HG23 ILE 131 HG23 ILE 131 0.685 2.415 7.769 808 HD11 ILE 131 HD11 ILE 131 -2.867 1.826 6.949 809 HD12 ILE 131 HD12 ILE 131 -1.229 1.544 7.539 810 HD13 ILE 131 HD13 ILE 131 -1.569 1.469 5.811 811 H LEU 132 HN LEU 132 1.834 4.875 4.013 812 HA LEU 132 HA LEU 132 4.222 5.227 5.472 813 HB2 LEU 132 HB2 LEU 132 3.687 5.415 2.512 814 HB3 LEU 132 HB3 LEU 132 5.288 5.395 3.226 815 HG LEU 132 HG LEU 132 3.277 3.154 3.473 816 HD11 LEU 132 HD11 LEU 132 4.041 3.438 1.165 817 HD12 LEU 132 HD12 LEU 132 4.670 1.955 1.882 818 HD13 LEU 132 HD13 LEU 132 5.716 3.365 1.713 819 HD21 LEU 132 HD21 LEU 132 4.854 3.278 5.337 820 HD22 LEU 132 HD22 LEU 132 6.202 3.294 4.200 821 HD23 LEU 132 HD23 LEU 132 5.169 1.870 4.324 822 H GLN 133 HN GLN 133 2.502 7.446 3.259 823 HA GLN 133 HA GLN 133 4.286 9.582 3.375 824 HB2 GLN 133 HB2 GLN 133 2.275 11.011 2.812 825 HB3 GLN 133 HB3 GLN 133 2.659 9.703 1.706 826 HG2 GLN 133 HG2 GLN 133 0.907 8.337 2.721 827 HG3 GLN 133 HG3 GLN 133 0.519 9.660 3.817 828 HE21 GLN 133 HE21 GLN 133 0.355 8.495 0.548 829 HE22 GLN 133 HE22 GLN 133 -0.768 9.674 -0.028 830 H LYS 134 HN LYS 134 1.651 8.759 5.575 831 HA LYS 134 HA LYS 134 1.779 11.149 7.100 832 HB2 LYS 134 HB2 LYS 134 0.765 8.413 7.884 833 HB3 LYS 134 HB3 LYS 134 0.478 9.899 8.782 834 HG2 LYS 134 HG2 LYS 134 -0.774 10.811 6.917 835 HG3 LYS 134 HG3 LYS 134 -0.444 9.363 5.967 836 HD2 LYS 134 HD2 LYS 134 -1.595 8.046 7.780 837 HD3 LYS 134 HD3 LYS 134 -2.091 9.587 8.479 838 HE2 LYS 134 HE2 LYS 134 -2.780 8.549 5.733 839 HE3 LYS 134 HE3 LYS 134 -3.872 8.679 7.109 840 HZ1 LYS 134 HZ1 LYS 134 -4.246 10.519 5.660 841 HZ2 LYS 134 HZ2 LYS 134 -2.603 10.914 5.625 842 HZ3 LYS 134 HZ3 LYS 134 -3.489 11.112 7.052 843 H GLU 135 HN GLU 135 3.362 8.008 7.366 844 HA GLU 135 HA GLU 135 4.621 8.613 9.873 845 HB2 GLU 135 HB2 GLU 135 4.065 6.302 9.239 846 HB3 GLU 135 HB3 GLU 135 5.177 6.402 7.882 847 HG2 GLU 135 HG2 GLU 135 6.385 7.042 10.469 848 HG3 GLU 135 HG3 GLU 135 5.773 5.395 10.337 849 H ASP 136 HN ASP 136 6.519 9.567 10.223 850 HA ASP 136 HA ASP 136 8.407 9.888 8.001 851 HB2 ASP 136 HB2 ASP 136 7.176 12.062 9.666 852 HB3 ASP 136 HB3 ASP 136 8.794 12.270 9.002 853 H VAL 137 HN VAL 137 9.767 8.359 8.924 854 HA VAL 137 HA VAL 137 11.053 9.185 11.447 855 HB VAL 137 HB VAL 137 11.498 6.881 11.999 856 HG11 VAL 137 HG11 VAL 137 8.602 7.254 11.244 857 HG12 VAL 137 HG12 VAL 137 9.367 7.794 12.738 858 HG13 VAL 137 HG13 VAL 137 9.224 6.070 12.395 859 HG21 VAL 137 HG21 VAL 137 10.451 5.050 10.612 860 HG22 VAL 137 HG22 VAL 137 11.844 5.853 9.891 861 HG23 VAL 137 HG23 VAL 137 10.217 6.255 9.346 862 H LYS 138 HN LYS 138 13.291 8.985 11.605 863 HA LYS 138 HA LYS 138 14.678 9.057 9.055 864 HB2 LYS 138 HB2 LYS 138 15.139 10.774 10.771 865 HB3 LYS 138 HB3 LYS 138 15.725 9.523 11.855 866 HG2 LYS 138 HG2 LYS 138 17.540 10.760 10.759 867 HG3 LYS 138 HG3 LYS 138 17.567 9.039 10.380 868 HD2 LYS 138 HD2 LYS 138 18.012 10.250 8.364 869 HD3 LYS 138 HD3 LYS 138 16.393 9.563 8.239 870 HE2 LYS 138 HE2 LYS 138 16.652 12.318 9.323 871 HE3 LYS 138 HE3 LYS 138 16.921 12.088 7.597 872 HZ1 LYS 138 HZ1 LYS 138 14.721 10.942 7.540 873 HZ2 LYS 138 HZ2 LYS 138 14.642 12.590 7.909 874 HZ3 LYS 138 HZ3 LYS 138 14.467 11.442 9.136 Start of MODEL 14 1 H HIS 28 H1 HIS 28 -8.607 18.504 20.835 2 HA HIS 28 HA HIS 28 -9.977 20.038 19.609 3 HB2 HIS 28 HB2 HIS 28 -9.937 17.199 18.572 4 HB3 HIS 28 HB3 HIS 28 -10.393 18.582 17.582 5 HD1 HIS 28 HD1 HIS 28 -7.438 16.958 19.204 6 HD2 HIS 28 HD2 HIS 28 -8.275 20.208 16.755 7 HE1 HIS 28 HE1 HIS 28 -5.209 17.753 18.359 8 HE2 HIS 28 HE2 HIS 28 -5.734 19.754 16.920 9 H MET 29 HN MET 29 -11.874 20.913 20.138 10 HA MET 29 HA MET 29 -14.301 19.544 19.399 11 HB2 MET 29 HB2 MET 29 -13.899 18.760 21.731 12 HB3 MET 29 HB3 MET 29 -13.952 20.431 22.271 13 HG2 MET 29 HG2 MET 29 -16.260 20.616 21.527 14 HG3 MET 29 HG3 MET 29 -16.211 18.959 20.932 15 HE1 MET 29 HE1 MET 29 -14.524 17.497 23.228 16 HE2 MET 29 HE2 MET 29 -15.978 16.836 22.482 17 HE3 MET 29 HE3 MET 29 -15.842 16.905 24.238 18 H GLU 30 HN GLU 30 -13.240 22.300 21.415 19 HA GLU 30 HA GLU 30 -14.589 24.123 19.561 20 HB2 GLU 30 HB2 GLU 30 -15.000 24.087 22.557 21 HB3 GLU 30 HB3 GLU 30 -15.514 25.398 21.503 22 HG2 GLU 30 HG2 GLU 30 -16.990 23.860 20.309 23 HG3 GLU 30 HG3 GLU 30 -16.477 22.548 21.369 24 H CYS 31 HN CYS 31 -12.710 24.987 18.806 25 HA CYS 31 HA CYS 31 -10.842 26.273 18.719 26 HB2 CYS 31 HB2 CYS 31 -11.936 27.344 21.330 27 HB3 CYS 31 HB3 CYS 31 -10.630 28.084 20.412 28 HG CYS 31 HG CYS 31 -12.654 28.054 18.122 29 H ALA 32 HN ALA 32 -10.396 23.712 19.607 30 HA ALA 32 HA ALA 32 -8.154 24.106 21.471 31 HB1 ALA 32 HB1 ALA 32 -9.986 23.071 22.710 32 HB2 ALA 32 HB2 ALA 32 -8.634 21.953 22.525 33 HB3 ALA 32 HB3 ALA 32 -10.070 21.774 21.517 34 H ASP 33 HN ASP 33 -6.501 23.969 20.044 35 HA ASP 33 HA ASP 33 -6.282 21.476 18.492 36 HB2 ASP 33 HB2 ASP 33 -6.815 23.351 16.984 37 HB3 ASP 33 HB3 ASP 33 -5.411 24.229 17.582 38 H VAL 34 HN VAL 34 -4.307 20.484 18.470 39 HA VAL 34 HA VAL 34 -2.367 21.474 20.413 40 HB VAL 34 HB VAL 34 -1.316 19.254 20.238 41 HG11 VAL 34 HG11 VAL 34 -3.102 19.660 21.870 42 HG12 VAL 34 HG12 VAL 34 -3.086 17.986 21.314 43 HG13 VAL 34 HG13 VAL 34 -4.295 19.110 20.691 44 HG21 VAL 34 HG21 VAL 34 -3.524 18.683 18.262 45 HG22 VAL 34 HG22 VAL 34 -2.480 17.461 18.985 46 HG23 VAL 34 HG23 VAL 34 -1.791 18.701 17.938 47 HA PRO 35 HA PRO 35 0.357 23.053 17.284 48 HB2 PRO 35 HB2 PRO 35 2.509 22.612 19.256 49 HB3 PRO 35 HB3 PRO 35 1.957 24.115 18.512 50 HG2 PRO 35 HG2 PRO 35 1.455 23.564 21.084 51 HG3 PRO 35 HG3 PRO 35 0.281 24.428 20.073 52 HD2 PRO 35 HD2 PRO 35 0.309 21.551 20.907 53 HD3 PRO 35 HD3 PRO 35 -1.056 22.684 20.812 54 H LEU 36 HN LEU 36 1.801 22.298 15.778 55 HA LEU 36 HA LEU 36 2.143 19.491 15.543 56 HB2 LEU 36 HB2 LEU 36 3.323 21.807 14.017 57 HB3 LEU 36 HB3 LEU 36 3.638 20.135 13.600 58 HG LEU 36 HG LEU 36 0.896 21.398 13.639 59 HD11 LEU 36 HD11 LEU 36 2.263 22.375 11.888 60 HD12 LEU 36 HD12 LEU 36 1.044 21.307 11.194 61 HD13 LEU 36 HD13 LEU 36 2.718 20.768 11.322 62 HD21 LEU 36 HD21 LEU 36 1.874 18.711 12.679 63 HD22 LEU 36 HD22 LEU 36 0.255 19.356 12.404 64 HD23 LEU 36 HD23 LEU 36 0.804 19.019 14.047 65 H LEU 37 HN LEU 37 3.369 18.516 17.063 66 HA LEU 37 HA LEU 37 6.166 19.403 17.300 67 HB2 LEU 37 HB2 LEU 37 4.417 18.319 19.509 68 HB3 LEU 37 HB3 LEU 37 6.129 18.671 19.657 69 HG LEU 37 HG LEU 37 4.003 20.730 19.049 70 HD11 LEU 37 HD11 LEU 37 3.724 19.847 21.293 71 HD12 LEU 37 HD12 LEU 37 4.365 21.489 21.350 72 HD13 LEU 37 HD13 LEU 37 5.434 20.115 21.631 73 HD21 LEU 37 HD21 LEU 37 6.189 21.325 18.161 74 HD22 LEU 37 HD22 LEU 37 6.928 21.014 19.732 75 HD23 LEU 37 HD23 LEU 37 5.783 22.342 19.543 76 H TPO 38 HN TPO 38 7.702 17.736 17.837 77 HA TPO 38 HA TPO 38 6.789 15.002 17.267 78 HB TPO 38 HB TPO 38 7.750 15.888 15.209 79 HG21 TPO 38 HG21 TPO 38 10.436 16.142 16.489 80 HG22 TPO 38 HG22 TPO 38 9.323 17.510 16.480 81 HG23 TPO 38 HG23 TPO 38 9.854 16.796 14.958 82 HA PRO 39 HA PRO 39 9.573 15.345 21.056 83 HB2 PRO 39 HB2 PRO 39 7.781 14.524 22.905 84 HB3 PRO 39 HB3 PRO 39 7.917 16.215 22.408 85 HG2 PRO 39 HG2 PRO 39 5.955 14.133 21.521 86 HG3 PRO 39 HG3 PRO 39 5.664 15.826 21.963 87 HD2 PRO 39 HD2 PRO 39 5.844 14.990 19.387 88 HD3 PRO 39 HD3 PRO 39 6.346 16.610 19.909 89 H SER 40 HN SER 40 9.814 13.482 22.785 90 HA SER 40 HA SER 40 10.625 11.168 21.531 91 HB2 SER 40 HB2 SER 40 11.278 11.788 23.830 92 HB3 SER 40 HB3 SER 40 9.650 11.407 24.389 93 HG SER 40 HG SER 40 10.182 9.380 24.435 94 H SEP 41 HN SEP 41 7.525 11.732 23.195 95 HA SEP 41 HA SEP 41 6.393 9.216 22.859 96 HB2 SEP 41 HB2 SEP 41 5.337 10.845 24.299 97 HB3 SEP 41 HB3 SEP 41 5.063 11.935 22.935 98 H LYS 42 HN LYS 42 6.453 11.970 20.641 99 HA LYS 42 HA LYS 42 4.760 10.791 18.679 100 HB2 LYS 42 HB2 LYS 42 5.099 13.213 18.812 101 HB3 LYS 42 HB3 LYS 42 6.801 13.010 18.428 102 HG2 LYS 42 HG2 LYS 42 5.579 13.768 16.487 103 HG3 LYS 42 HG3 LYS 42 6.194 12.137 16.222 104 HD2 LYS 42 HD2 LYS 42 4.017 11.195 16.666 105 HD3 LYS 42 HD3 LYS 42 3.381 12.784 17.100 106 HE2 LYS 42 HE2 LYS 42 3.736 13.571 14.830 107 HE3 LYS 42 HE3 LYS 42 4.451 12.023 14.383 108 HZ1 LYS 42 HZ1 LYS 42 2.326 10.957 14.846 109 HZ2 LYS 42 HZ2 LYS 42 2.154 12.161 13.671 110 HZ3 LYS 42 HZ3 LYS 42 1.644 12.450 15.258 111 H GLU 43 HN GLU 43 8.270 10.917 19.138 112 HA GLU 43 HA GLU 43 9.007 9.733 16.690 113 HB2 GLU 43 HB2 GLU 43 10.575 10.938 18.172 114 HB3 GLU 43 HB3 GLU 43 10.458 9.633 19.343 115 HG2 GLU 43 HG2 GLU 43 11.436 8.086 17.735 116 HG3 GLU 43 HG3 GLU 43 11.531 9.381 16.541 117 H MET 44 HN MET 44 8.179 8.349 19.836 118 HA MET 44 HA MET 44 8.820 5.655 19.108 119 HB2 MET 44 HB2 MET 44 7.158 6.753 21.381 120 HB3 MET 44 HB3 MET 44 7.615 5.066 21.206 121 HG2 MET 44 HG2 MET 44 9.956 5.647 21.406 122 HG3 MET 44 HG3 MET 44 9.544 7.357 21.496 123 HE1 MET 44 HE1 MET 44 7.600 7.524 24.901 124 HE2 MET 44 HE2 MET 44 6.995 7.408 23.248 125 HE3 MET 44 HE3 MET 44 8.334 8.491 23.623 126 H MET 45 HN MET 45 6.012 7.697 18.803 127 HA MET 45 HA MET 45 3.978 5.818 18.578 128 HB2 MET 45 HB2 MET 45 3.898 8.416 18.568 129 HB3 MET 45 HB3 MET 45 4.070 8.255 16.825 130 HG2 MET 45 HG2 MET 45 2.050 6.889 16.752 131 HG3 MET 45 HG3 MET 45 1.879 7.053 18.499 132 HE1 MET 45 HE1 MET 45 -0.457 7.758 16.449 133 HE2 MET 45 HE2 MET 45 -1.053 9.265 17.146 134 HE3 MET 45 HE3 MET 45 -0.604 7.922 18.199 135 H SER 46 HN SER 46 6.328 6.911 16.162 136 HA SER 46 HA SER 46 5.106 5.587 13.963 137 HB2 SER 46 HB2 SER 46 6.728 7.462 13.716 138 HB3 SER 46 HB3 SER 46 8.015 6.402 14.287 139 HG SER 46 HG SER 46 8.195 5.957 12.236 140 H GLN 47 HN GLN 47 7.559 4.666 16.331 141 HA GLN 47 HA GLN 47 8.663 2.390 15.286 142 HB2 GLN 47 HB2 GLN 47 9.243 3.389 17.473 143 HB3 GLN 47 HB3 GLN 47 7.750 2.748 18.142 144 HG2 GLN 47 HG2 GLN 47 8.527 0.473 17.681 145 HG3 GLN 47 HG3 GLN 47 10.033 1.126 17.037 146 HE21 GLN 47 HE21 GLN 47 11.538 2.037 18.453 147 HE22 GLN 47 HE22 GLN 47 11.477 1.756 20.156 148 H ALA 48 HN ALA 48 5.635 2.525 17.176 149 HA ALA 48 HA ALA 48 5.032 -0.227 16.863 150 HB1 ALA 48 HB1 ALA 48 2.847 0.335 17.778 151 HB2 ALA 48 HB2 ALA 48 3.178 2.052 17.543 152 HB3 ALA 48 HB3 ALA 48 4.132 1.119 18.696 153 H LEU 49 HN LEU 49 3.852 2.688 15.179 154 HA LEU 49 HA LEU 49 1.961 1.482 13.539 155 HB2 LEU 49 HB2 LEU 49 2.171 3.895 13.804 156 HB3 LEU 49 HB3 LEU 49 3.715 3.872 12.975 157 HG LEU 49 HG LEU 49 2.604 3.178 10.901 158 HD11 LEU 49 HD11 LEU 49 0.159 3.188 10.761 159 HD12 LEU 49 HD12 LEU 49 0.065 3.422 12.506 160 HD13 LEU 49 HD13 LEU 49 0.749 1.934 11.852 161 HD21 LEU 49 HD21 LEU 49 1.361 5.612 12.177 162 HD22 LEU 49 HD22 LEU 49 1.423 5.270 10.448 163 HD23 LEU 49 HD23 LEU 49 2.914 5.555 11.345 164 H LYS 50 HN LYS 50 5.432 2.006 12.918 165 HA LYS 50 HA LYS 50 5.348 0.795 10.336 166 HB2 LYS 50 HB2 LYS 50 7.723 1.064 10.286 167 HB3 LYS 50 HB3 LYS 50 7.024 2.507 11.003 168 HG2 LYS 50 HG2 LYS 50 7.615 1.693 13.229 169 HG3 LYS 50 HG3 LYS 50 8.301 0.233 12.514 170 HD2 LYS 50 HD2 LYS 50 9.242 3.039 11.925 171 HD3 LYS 50 HD3 LYS 50 9.999 1.952 13.091 172 HE2 LYS 50 HE2 LYS 50 10.472 0.353 11.311 173 HE3 LYS 50 HE3 LYS 50 9.679 1.405 10.139 174 HZ1 LYS 50 HZ1 LYS 50 11.355 3.093 10.577 175 HZ2 LYS 50 HZ2 LYS 50 12.078 1.653 10.064 176 HZ3 LYS 50 HZ3 LYS 50 12.116 2.081 11.699 177 H ALA 51 HN ALA 51 5.953 -0.376 13.580 178 HA ALA 51 HA ALA 51 7.271 -2.764 13.001 179 HB1 ALA 51 HB1 ALA 51 6.448 -3.559 15.172 180 HB2 ALA 51 HB2 ALA 51 5.312 -2.212 15.236 181 HB3 ALA 51 HB3 ALA 51 7.048 -1.903 15.267 182 H THR 52 HN THR 52 3.807 -2.008 12.921 183 HA THR 52 HA THR 52 2.764 -4.583 12.730 184 HB THR 52 HB THR 52 0.804 -3.613 11.656 185 HG1 THR 52 HG1 THR 52 0.954 -1.844 10.502 186 HG21 THR 52 HG21 THR 52 0.209 -1.965 13.328 187 HG22 THR 52 HG22 THR 52 1.907 -1.710 13.726 188 HG23 THR 52 HG23 THR 52 1.141 -3.258 14.084 189 H PHE 53 HN PHE 53 4.294 -2.582 10.272 190 HA PHE 53 HA PHE 53 3.700 -4.568 8.208 191 HB2 PHE 53 HB2 PHE 53 4.901 -1.796 8.065 192 HB3 PHE 53 HB3 PHE 53 4.767 -2.868 6.675 193 HD1 PHE 53 HD2 PHE 53 2.576 -3.440 5.752 194 HD2 PHE 53 HD1 PHE 53 2.986 -0.670 8.958 195 HE1 PHE 53 HE2 PHE 53 0.287 -2.635 5.345 196 HE2 PHE 53 HE1 PHE 53 0.698 0.139 8.556 197 HZ PHE 53 HZ PHE 53 -0.655 -0.844 6.748 198 H SER 54 HN SER 54 5.141 -6.030 9.559 199 HA SER 54 HA SER 54 7.963 -5.591 9.528 200 HB2 SER 54 HB2 SER 54 6.358 -8.111 10.013 201 HB3 SER 54 HB3 SER 54 8.097 -7.970 10.258 202 HG SER 54 HG SER 54 7.755 -6.571 11.919 203 H GLY 55 HN GLY 55 5.701 -6.987 7.272 204 HA2 GLY 55 HA2 GLY 55 7.649 -8.486 5.783 205 HA3 GLY 55 HA1 GLY 55 6.002 -8.130 5.288 206 H PHE 56 HN PHE 56 6.780 -5.177 5.912 207 HA PHE 56 HA PHE 56 7.787 -4.664 3.210 208 HB2 PHE 56 HB2 PHE 56 5.675 -3.548 3.948 209 HB3 PHE 56 HB3 PHE 56 6.605 -2.677 5.162 210 HD1 PHE 56 HD1 PHE 56 7.361 -3.449 1.595 211 HD2 PHE 56 HD2 PHE 56 6.632 -0.454 4.531 212 HE1 PHE 56 HE1 PHE 56 7.887 -1.706 -0.058 213 HE2 PHE 56 HE2 PHE 56 7.155 1.294 2.880 214 HZ PHE 56 HZ PHE 56 7.784 0.667 0.583 215 H THR 57 HN THR 57 8.367 -3.596 6.569 216 HA THR 57 HA THR 57 10.585 -1.989 6.104 217 HB THR 57 HB THR 57 10.174 -3.736 8.538 218 HG1 THR 57 HG1 THR 57 8.425 -2.530 8.709 219 HG21 THR 57 HG21 THR 57 11.697 -1.157 8.141 220 HG22 THR 57 HG22 THR 57 12.387 -2.745 8.476 221 HG23 THR 57 HG23 THR 57 11.411 -1.932 9.700 222 H LYS 58 HN LYS 58 10.397 -5.490 6.315 223 HA LYS 58 HA LYS 58 13.153 -6.027 6.526 224 HB2 LYS 58 HB2 LYS 58 10.843 -7.593 5.397 225 HB3 LYS 58 HB3 LYS 58 12.485 -8.222 5.352 226 HG2 LYS 58 HG2 LYS 58 12.625 -8.200 7.741 227 HG3 LYS 58 HG3 LYS 58 11.072 -7.373 7.869 228 HD2 LYS 58 HD2 LYS 58 9.940 -9.304 6.924 229 HD3 LYS 58 HD3 LYS 58 11.486 -10.127 6.706 230 HE2 LYS 58 HE2 LYS 58 11.833 -10.079 9.139 231 HE3 LYS 58 HE3 LYS 58 10.268 -9.295 9.338 232 HZ1 LYS 58 HZ1 LYS 58 10.148 -11.682 9.736 233 HZ2 LYS 58 HZ2 LYS 58 10.699 -11.991 8.167 234 HZ3 LYS 58 HZ3 LYS 58 9.201 -11.241 8.404 235 H GLU 59 HN GLU 59 11.080 -5.301 3.789 236 HA GLU 59 HA GLU 59 13.110 -5.805 1.808 237 HB2 GLU 59 HB2 GLU 59 10.744 -6.079 1.254 238 HB3 GLU 59 HB3 GLU 59 10.436 -4.392 1.643 239 HG2 GLU 59 HG2 GLU 59 11.842 -3.689 -0.205 240 HG3 GLU 59 HG3 GLU 59 12.210 -5.371 -0.581 241 H GLN 60 HN GLN 60 11.717 -3.015 3.470 242 HA GLN 60 HA GLN 60 12.943 -0.959 2.054 243 HB2 GLN 60 HB2 GLN 60 12.315 -0.988 5.007 244 HB3 GLN 60 HB3 GLN 60 12.505 0.436 3.997 245 HG2 GLN 60 HG2 GLN 60 10.550 -0.564 2.636 246 HG3 GLN 60 HG3 GLN 60 10.274 -1.540 4.074 247 HE21 GLN 60 HE21 GLN 60 10.232 1.666 2.734 248 HE22 GLN 60 HE22 GLN 60 9.341 2.404 4.015 249 H GLN 61 HN GLN 61 14.216 -3.027 4.581 250 HA GLN 61 HA GLN 61 16.630 -1.434 4.863 251 HB2 GLN 61 HB2 GLN 61 17.317 -3.114 6.492 252 HB3 GLN 61 HB3 GLN 61 15.686 -2.552 6.826 253 HG2 GLN 61 HG2 GLN 61 14.810 -4.581 5.717 254 HG3 GLN 61 HG3 GLN 61 16.466 -5.152 5.527 255 HE21 GLN 61 HE21 GLN 61 13.878 -4.531 7.764 256 HE22 GLN 61 HE22 GLN 61 14.554 -5.393 9.100 257 H ARG 62 HN ARG 62 15.676 -4.464 3.320 258 HA ARG 62 HA ARG 62 18.325 -5.243 2.607 259 HB2 ARG 62 HB2 ARG 62 15.611 -6.105 1.620 260 HB3 ARG 62 HB3 ARG 62 17.107 -6.786 0.995 261 HG2 ARG 62 HG2 ARG 62 17.692 -7.607 3.192 262 HG3 ARG 62 HG3 ARG 62 16.255 -6.851 3.882 263 HD2 ARG 62 HD2 ARG 62 16.230 -8.998 1.762 264 HD3 ARG 62 HD3 ARG 62 15.995 -9.283 3.485 265 HE ARG 62 HE ARG 62 14.184 -7.412 2.166 266 HH11 ARG 62 HH11 ARG 62 14.685 -10.617 3.495 267 HH12 ARG 62 HH12 ARG 62 12.994 -10.966 3.605 268 HH21 ARG 62 HH21 ARG 62 11.961 -7.882 2.316 269 HH22 ARG 62 HH22 ARG 62 11.448 -9.414 2.937 270 H LEU 63 HN LEU 63 15.869 -3.259 1.068 271 HA LEU 63 HA LEU 63 17.535 -2.994 -1.351 272 HB2 LEU 63 HB2 LEU 63 14.703 -2.052 -0.974 273 HB3 LEU 63 HB3 LEU 63 15.586 -2.237 -2.478 274 HG LEU 63 HG LEU 63 14.569 -4.449 -0.695 275 HD11 LEU 63 HD11 LEU 63 13.854 -3.618 -3.500 276 HD12 LEU 63 HD12 LEU 63 12.860 -3.403 -2.059 277 HD13 LEU 63 HD13 LEU 63 13.217 -5.026 -2.649 278 HD21 LEU 63 HD21 LEU 63 16.204 -4.631 -3.221 279 HD22 LEU 63 HD22 LEU 63 15.448 -5.988 -2.387 280 HD23 LEU 63 HD23 LEU 63 16.737 -5.077 -1.600 281 H GLY 64 HN GLY 64 16.118 -1.159 1.313 282 HA2 GLY 64 HA2 GLY 64 17.216 0.836 2.080 283 HA3 GLY 64 HA1 GLY 64 17.703 1.162 0.425 284 H ILE 65 HN ILE 65 14.568 0.158 0.247 285 HA ILE 65 HA ILE 65 13.498 2.595 -0.549 286 HB ILE 65 HB ILE 65 11.963 0.255 0.599 287 HG12 ILE 65 HG12 ILE 65 12.485 0.811 -2.319 288 HG13 ILE 65 HG13 ILE 65 13.567 -0.190 -1.361 289 HG21 ILE 65 HG21 ILE 65 11.089 2.500 -1.215 290 HG22 ILE 65 HG22 ILE 65 10.600 2.253 0.461 291 HG23 ILE 65 HG23 ILE 65 10.107 1.101 -0.780 292 HD11 ILE 65 HD11 ILE 65 11.692 -1.699 -0.868 293 HD12 ILE 65 HD12 ILE 65 12.030 -1.567 -2.594 294 HD13 ILE 65 HD13 ILE 65 10.654 -0.710 -1.896 295 HA PRO 66 HA PRO 66 12.980 4.500 3.472 296 HB2 PRO 66 HB2 PRO 66 12.052 6.886 2.623 297 HB3 PRO 66 HB3 PRO 66 13.748 6.418 2.460 298 HG2 PRO 66 HG2 PRO 66 11.570 6.383 0.415 299 HG3 PRO 66 HG3 PRO 66 13.257 6.895 0.243 300 HD2 PRO 66 HD2 PRO 66 12.319 4.451 -0.563 301 HD3 PRO 66 HD3 PRO 66 14.000 4.752 -0.080 302 H LYS 67 HN LYS 67 11.163 5.672 4.649 303 HA LYS 67 HA LYS 67 8.616 4.383 3.983 304 HB2 LYS 67 HB2 LYS 67 9.577 5.680 6.540 305 HB3 LYS 67 HB3 LYS 67 7.974 4.992 6.320 306 HG2 LYS 67 HG2 LYS 67 8.958 2.795 5.941 307 HG3 LYS 67 HG3 LYS 67 10.572 3.478 6.134 308 HD2 LYS 67 HD2 LYS 67 9.912 2.416 8.194 309 HD3 LYS 67 HD3 LYS 67 9.959 4.163 8.435 310 HE2 LYS 67 HE2 LYS 67 7.990 3.268 9.496 311 HE3 LYS 67 HE3 LYS 67 7.509 4.235 8.104 312 HZ1 LYS 67 HZ1 LYS 67 7.167 2.238 6.835 313 HZ2 LYS 67 HZ2 LYS 67 6.288 2.127 8.275 314 HZ3 LYS 67 HZ3 LYS 67 7.737 1.273 8.102 315 H ASP 68 HN ASP 68 9.173 6.480 2.315 316 HA ASP 68 HA ASP 68 7.066 8.365 3.030 317 HB2 ASP 68 HB2 ASP 68 9.857 9.229 2.245 318 HB3 ASP 68 HB3 ASP 68 8.464 10.302 2.332 319 HA PRO 69 HA PRO 69 6.286 7.001 -1.257 320 HB2 PRO 69 HB2 PRO 69 3.891 8.693 -0.707 321 HB3 PRO 69 HB3 PRO 69 3.993 7.054 -1.364 322 HG2 PRO 69 HG2 PRO 69 3.190 7.435 1.132 323 HG3 PRO 69 HG3 PRO 69 4.271 6.091 0.735 324 HD2 PRO 69 HD2 PRO 69 4.916 8.728 2.002 325 HD3 PRO 69 HD3 PRO 69 5.521 7.107 2.406 326 H ARG 70 HN ARG 70 5.539 10.326 -0.090 327 HA ARG 70 HA ARG 70 5.763 11.593 -2.560 328 HB2 ARG 70 HB2 ARG 70 6.104 13.669 -1.330 329 HB3 ARG 70 HB3 ARG 70 4.849 12.706 -0.568 330 HG2 ARG 70 HG2 ARG 70 7.631 12.453 0.448 331 HG3 ARG 70 HG3 ARG 70 6.721 13.912 0.834 332 HD2 ARG 70 HD2 ARG 70 4.878 12.414 1.661 333 HD3 ARG 70 HD3 ARG 70 5.995 11.062 1.482 334 HE ARG 70 HE ARG 70 7.435 12.634 3.029 335 HH11 ARG 70 HH11 ARG 70 4.020 11.892 3.254 336 HH12 ARG 70 HH12 ARG 70 3.973 12.069 4.975 337 HH21 ARG 70 HH21 ARG 70 7.363 12.865 5.294 338 HH22 ARG 70 HH22 ARG 70 5.867 12.618 6.132 339 H GLN 71 HN GLN 71 8.251 10.589 -0.299 340 HA GLN 71 HA GLN 71 10.339 11.771 -1.977 341 HB2 GLN 71 HB2 GLN 71 10.462 10.512 0.763 342 HB3 GLN 71 HB3 GLN 71 11.853 11.154 -0.099 343 HG2 GLN 71 HG2 GLN 71 10.961 13.372 -0.010 344 HG3 GLN 71 HG3 GLN 71 9.441 12.783 0.660 345 HE21 GLN 71 HE21 GLN 71 9.389 12.051 2.808 346 HE22 GLN 71 HE22 GLN 71 10.608 12.506 3.944 347 H TRP 72 HN TRP 72 8.971 9.641 -3.131 348 HA TRP 72 HA TRP 72 10.952 7.450 -3.027 349 HB2 TRP 72 HB2 TRP 72 7.999 7.499 -3.306 350 HB3 TRP 72 HB3 TRP 72 8.837 6.368 -4.351 351 HD1 TRP 72 HD1 TRP 72 10.656 6.660 -1.138 352 HE1 TRP 72 HE1 TRP 72 10.102 4.653 0.377 353 HE3 TRP 72 HE3 TRP 72 6.662 4.782 -3.710 354 HZ2 TRP 72 HZ2 TRP 72 8.217 2.553 0.467 355 HZ3 TRP 72 HZ3 TRP 72 5.540 2.773 -2.846 356 HH2 TRP 72 HH2 TRP 72 6.303 1.683 -0.802 357 H THR 73 HN THR 73 11.100 6.265 -5.220 358 HA THR 73 HA THR 73 10.738 8.106 -7.426 359 HB THR 73 HB THR 73 13.124 8.129 -6.784 360 HG1 THR 73 HG1 THR 73 13.349 8.458 -8.856 361 HG21 THR 73 HG21 THR 73 14.473 6.095 -7.228 362 HG22 THR 73 HG22 THR 73 12.977 5.195 -7.478 363 HG23 THR 73 HG23 THR 73 13.333 5.891 -5.898 364 H GLU 74 HN GLU 74 11.321 6.702 -9.614 365 HA GLU 74 HA GLU 74 9.163 5.036 -10.020 366 HB2 GLU 74 HB2 GLU 74 11.834 4.992 -11.435 367 HB3 GLU 74 HB3 GLU 74 10.380 4.193 -12.017 368 HG2 GLU 74 HG2 GLU 74 9.267 6.434 -12.032 369 HG3 GLU 74 HG3 GLU 74 10.841 7.144 -11.685 370 H THR 75 HN THR 75 12.456 4.087 -9.060 371 HA THR 75 HA THR 75 12.057 1.317 -9.178 372 HB THR 75 HB THR 75 13.920 2.796 -7.303 373 HG1 THR 75 HG1 THR 75 14.864 3.342 -9.116 374 HG21 THR 75 HG21 THR 75 13.993 -0.027 -8.379 375 HG22 THR 75 HG22 THR 75 13.678 0.446 -6.711 376 HG23 THR 75 HG23 THR 75 15.265 0.730 -7.423 377 H HIS 76 HN HIS 76 11.825 3.541 -6.393 378 HA HIS 76 HA HIS 76 11.060 1.614 -4.495 379 HB2 HIS 76 HB2 HIS 76 10.459 4.577 -4.565 380 HB3 HIS 76 HB3 HIS 76 10.194 3.540 -3.169 381 HD1 HIS 76 HD1 HIS 76 12.197 6.025 -3.354 382 HD2 HIS 76 HD2 HIS 76 13.216 2.002 -3.545 383 HE1 HIS 76 HE1 HIS 76 14.605 5.909 -2.648 384 HE2 HIS 76 HE2 HIS 76 15.163 3.452 -2.659 385 H VAL 77 HN VAL 77 9.130 3.626 -6.666 386 HA VAL 77 HA VAL 77 6.562 2.964 -5.660 387 HB VAL 77 HB VAL 77 7.452 3.868 -8.412 388 HG11 VAL 77 HG11 VAL 77 4.655 3.623 -7.298 389 HG12 VAL 77 HG12 VAL 77 5.338 2.678 -8.622 390 HG13 VAL 77 HG13 VAL 77 5.086 4.412 -8.815 391 HG21 VAL 77 HG21 VAL 77 7.843 5.459 -6.600 392 HG22 VAL 77 HG22 VAL 77 6.154 5.324 -6.110 393 HG23 VAL 77 HG23 VAL 77 6.566 6.026 -7.675 394 H ARG 78 HN ARG 78 8.410 1.691 -8.454 395 HA ARG 78 HA ARG 78 6.535 -0.325 -9.171 396 HB2 ARG 78 HB2 ARG 78 8.118 0.520 -10.792 397 HB3 ARG 78 HB3 ARG 78 9.480 0.025 -9.800 398 HG2 ARG 78 HG2 ARG 78 7.541 -2.031 -10.754 399 HG3 ARG 78 HG3 ARG 78 8.750 -1.389 -11.867 400 HD2 ARG 78 HD2 ARG 78 9.313 -2.678 -9.197 401 HD3 ARG 78 HD3 ARG 78 9.524 -3.439 -10.771 402 HE ARG 78 HE ARG 78 11.064 -1.231 -10.960 403 HH11 ARG 78 HH11 ARG 78 10.873 -3.779 -8.565 404 HH12 ARG 78 HH12 ARG 78 12.544 -3.664 -8.130 405 HH21 ARG 78 HH21 ARG 78 13.266 -1.088 -10.385 406 HH22 ARG 78 HH22 ARG 78 13.903 -2.137 -9.164 407 H ASP 79 HN ASP 79 9.623 -0.500 -7.353 408 HA ASP 79 HA ASP 79 9.532 -3.261 -6.926 409 HB2 ASP 79 HB2 ASP 79 11.523 -1.787 -6.502 410 HB3 ASP 79 HB3 ASP 79 10.735 -1.210 -5.036 411 H TRP 80 HN TRP 80 8.039 -0.599 -5.142 412 HA TRP 80 HA TRP 80 7.216 -2.200 -2.951 413 HB2 TRP 80 HB2 TRP 80 7.245 0.107 -2.463 414 HB3 TRP 80 HB3 TRP 80 6.354 0.519 -3.926 415 HD1 TRP 80 HD1 TRP 80 5.716 -1.233 -0.524 416 HE1 TRP 80 HE1 TRP 80 3.257 -0.846 0.119 417 HE3 TRP 80 HE3 TRP 80 4.164 1.237 -4.721 418 HZ2 TRP 80 HZ2 TRP 80 0.958 0.345 -1.009 419 HZ3 TRP 80 HZ3 TRP 80 1.820 1.967 -4.858 420 HH2 TRP 80 HH2 TRP 80 0.252 1.528 -3.039 421 H VAL 81 HN VAL 81 5.146 -0.690 -5.466 422 HA VAL 81 HA VAL 81 2.839 -2.021 -5.153 423 HB VAL 81 HB VAL 81 3.175 -0.355 -6.909 424 HG11 VAL 81 HG11 VAL 81 4.512 -2.544 -8.486 425 HG12 VAL 81 HG12 VAL 81 5.318 -1.144 -7.783 426 HG13 VAL 81 HG13 VAL 81 4.128 -0.924 -9.062 427 HG21 VAL 81 HG21 VAL 81 2.059 -2.948 -7.964 428 HG22 VAL 81 HG22 VAL 81 1.712 -1.336 -8.591 429 HG23 VAL 81 HG23 VAL 81 1.196 -1.778 -6.964 430 H MET 82 HN MET 82 5.619 -3.347 -6.981 431 HA MET 82 HA MET 82 4.467 -5.803 -7.698 432 HB2 MET 82 HB2 MET 82 6.564 -4.979 -8.668 433 HB3 MET 82 HB3 MET 82 7.365 -5.146 -7.113 434 HG2 MET 82 HG2 MET 82 8.008 -6.988 -8.458 435 HG3 MET 82 HG3 MET 82 6.911 -7.592 -7.220 436 HE1 MET 82 HE1 MET 82 5.876 -7.060 -11.682 437 HE2 MET 82 HE2 MET 82 7.486 -6.859 -10.993 438 HE3 MET 82 HE3 MET 82 6.220 -5.686 -10.631 439 H TRP 83 HN TRP 83 6.434 -4.905 -4.886 440 HA TRP 83 HA TRP 83 6.463 -7.400 -3.612 441 HB2 TRP 83 HB2 TRP 83 8.034 -5.847 -2.839 442 HB3 TRP 83 HB3 TRP 83 6.844 -4.565 -2.686 443 HD1 TRP 83 HD1 TRP 83 8.431 -7.411 -0.768 444 HE1 TRP 83 HE1 TRP 83 7.603 -7.354 1.665 445 HE3 TRP 83 HE3 TRP 83 4.728 -3.921 -1.254 446 HZ2 TRP 83 HZ2 TRP 83 5.624 -6.015 3.177 447 HZ3 TRP 83 HZ3 TRP 83 3.413 -3.309 0.732 448 HH2 TRP 83 HH2 TRP 83 3.855 -4.335 2.903 449 H ALA 84 HN ALA 84 4.132 -4.739 -3.476 450 HA ALA 84 HA ALA 84 2.573 -5.843 -1.354 451 HB1 ALA 84 HB1 ALA 84 0.935 -4.125 -1.926 452 HB2 ALA 84 HB2 ALA 84 1.807 -3.774 -3.417 453 HB3 ALA 84 HB3 ALA 84 2.562 -3.447 -1.856 454 H VAL 85 HN VAL 85 2.803 -6.506 -4.711 455 HA VAL 85 HA VAL 85 0.130 -7.589 -4.988 456 HB VAL 85 HB VAL 85 2.510 -7.553 -6.846 457 HG11 VAL 85 HG11 VAL 85 -0.215 -8.765 -7.303 458 HG12 VAL 85 HG12 VAL 85 1.328 -9.619 -7.259 459 HG13 VAL 85 HG13 VAL 85 0.987 -8.482 -8.562 460 HG21 VAL 85 HG21 VAL 85 1.271 -5.975 -8.111 461 HG22 VAL 85 HG22 VAL 85 1.171 -5.455 -6.430 462 HG23 VAL 85 HG23 VAL 85 -0.195 -6.278 -7.179 463 H ASN 86 HN ASN 86 3.405 -8.704 -4.388 464 HA ASN 86 HA ASN 86 2.746 -11.501 -4.642 465 HB2 ASN 86 HB2 ASN 86 5.215 -10.177 -3.495 466 HB3 ASN 86 HB3 ASN 86 5.050 -11.887 -3.879 467 HD21 ASN 86 HD21 ASN 86 6.903 -9.824 -4.894 468 HD22 ASN 86 HD22 ASN 86 6.719 -9.849 -6.611 469 H GLU 87 HN GLU 87 3.051 -9.138 -2.051 470 HA GLU 87 HA GLU 87 2.954 -11.032 0.090 471 HB2 GLU 87 HB2 GLU 87 2.457 -8.048 0.026 472 HB3 GLU 87 HB3 GLU 87 2.514 -9.008 1.497 473 HG2 GLU 87 HG2 GLU 87 4.805 -8.913 -0.436 474 HG3 GLU 87 HG3 GLU 87 4.606 -7.727 0.851 475 H PHE 88 HN PHE 88 0.564 -9.028 -1.592 476 HA PHE 88 HA PHE 88 -1.571 -10.218 0.032 477 HB2 PHE 88 HB2 PHE 88 -1.458 -7.766 -1.707 478 HB3 PHE 88 HB3 PHE 88 -2.989 -8.446 -1.170 479 HD1 PHE 88 HD1 PHE 88 0.128 -6.830 -0.072 480 HD2 PHE 88 HD2 PHE 88 -3.740 -8.189 1.069 481 HE1 PHE 88 HE1 PHE 88 0.318 -5.585 2.043 482 HE2 PHE 88 HE2 PHE 88 -3.558 -6.947 3.185 483 HZ PHE 88 HZ PHE 88 -1.528 -5.642 3.672 484 H SER 89 HN SER 89 -0.013 -11.159 -2.612 485 HA SER 89 HA SER 89 -0.500 -12.200 -4.589 486 HB2 SER 89 HB2 SER 89 -2.726 -13.279 -2.839 487 HB3 SER 89 HB3 SER 89 -2.168 -14.013 -4.341 488 HG SER 89 HG SER 89 -0.360 -14.659 -3.379 489 H LEU 90 HN LEU 90 -1.254 -9.751 -5.032 490 HA LEU 90 HA LEU 90 -4.052 -9.556 -5.650 491 HB2 LEU 90 HB2 LEU 90 -1.818 -7.635 -6.293 492 HB3 LEU 90 HB3 LEU 90 -3.533 -7.290 -6.402 493 HG LEU 90 HG LEU 90 -1.950 -7.806 -3.886 494 HD11 LEU 90 HD11 LEU 90 -1.707 -5.569 -4.891 495 HD12 LEU 90 HD12 LEU 90 -2.515 -5.529 -3.323 496 HD13 LEU 90 HD13 LEU 90 -3.457 -5.364 -4.805 497 HD21 LEU 90 HD21 LEU 90 -4.908 -7.286 -4.172 498 HD22 LEU 90 HD22 LEU 90 -4.014 -7.474 -2.664 499 HD23 LEU 90 HD23 LEU 90 -4.181 -8.841 -3.765 500 H LYS 91 HN LYS 91 -4.677 -8.665 -7.882 501 HA LYS 91 HA LYS 91 -3.061 -9.681 -10.074 502 HB2 LYS 91 HB2 LYS 91 -4.881 -11.070 -10.978 503 HB3 LYS 91 HB3 LYS 91 -4.319 -11.655 -9.419 504 HG2 LYS 91 HG2 LYS 91 -6.349 -10.006 -8.673 505 HG3 LYS 91 HG3 LYS 91 -6.942 -10.626 -10.215 506 HD2 LYS 91 HD2 LYS 91 -6.606 -12.911 -9.438 507 HD3 LYS 91 HD3 LYS 91 -5.957 -12.309 -7.911 508 HE2 LYS 91 HE2 LYS 91 -8.256 -12.965 -7.599 509 HE3 LYS 91 HE3 LYS 91 -8.125 -11.213 -7.462 510 HZ1 LYS 91 HZ1 LYS 91 -9.017 -12.663 -9.898 511 HZ2 LYS 91 HZ2 LYS 91 -8.971 -10.984 -9.693 512 HZ3 LYS 91 HZ3 LYS 91 -10.047 -11.916 -8.782 513 H GLY 92 HN GLY 92 -3.734 -8.958 -12.149 514 HA2 GLY 92 HA2 GLY 92 -4.885 -7.632 -13.669 515 HA3 GLY 92 HA1 GLY 92 -6.011 -7.196 -12.398 516 H VAL 93 HN VAL 93 -3.157 -6.542 -10.977 517 HA VAL 93 HA VAL 93 -3.429 -3.732 -11.412 518 HB VAL 93 HB VAL 93 -2.757 -4.674 -9.219 519 HG11 VAL 93 HG11 VAL 93 -0.481 -5.416 -8.849 520 HG12 VAL 93 HG12 VAL 93 -0.109 -5.207 -10.559 521 HG13 VAL 93 HG13 VAL 93 -1.265 -6.439 -10.051 522 HG21 VAL 93 HG21 VAL 93 -0.779 -2.754 -10.445 523 HG22 VAL 93 HG22 VAL 93 -1.052 -2.988 -8.718 524 HG23 VAL 93 HG23 VAL 93 -2.337 -2.332 -9.733 525 H ASP 94 HN ASP 94 -2.347 -2.415 -12.721 526 HA ASP 94 HA ASP 94 -0.355 -3.607 -14.503 527 HB2 ASP 94 HB2 ASP 94 -1.929 -1.033 -14.728 528 HB3 ASP 94 HB3 ASP 94 -0.781 -1.621 -15.923 529 H PHE 95 HN PHE 95 1.725 -3.030 -14.479 530 HA PHE 95 HA PHE 95 2.615 -1.127 -12.459 531 HB2 PHE 95 HB2 PHE 95 4.225 -2.909 -14.316 532 HB3 PHE 95 HB3 PHE 95 4.878 -1.954 -12.988 533 HD1 PHE 95 HD2 PHE 95 4.160 -2.500 -10.638 534 HD2 PHE 95 HD1 PHE 95 3.326 -5.046 -13.946 535 HE1 PHE 95 HE2 PHE 95 3.746 -4.368 -9.092 536 HE2 PHE 95 HE1 PHE 95 2.908 -6.917 -12.405 537 HZ PHE 95 HZ PHE 95 3.120 -6.580 -9.974 538 H GLN 96 HN GLN 96 2.160 -1.251 -15.898 539 HA GLN 96 HA GLN 96 3.909 0.809 -16.705 540 HB2 GLN 96 HB2 GLN 96 1.224 -0.021 -17.827 541 HB3 GLN 96 HB3 GLN 96 2.332 1.090 -18.621 542 HG2 GLN 96 HG2 GLN 96 4.021 -0.701 -18.706 543 HG3 GLN 96 HG3 GLN 96 2.851 -1.807 -17.990 544 HE21 GLN 96 HE21 GLN 96 1.076 -2.489 -19.215 545 HE22 GLN 96 HE22 GLN 96 1.041 -2.326 -20.935 546 H LYS 97 HN LYS 97 0.692 0.819 -15.298 547 HA LYS 97 HA LYS 97 0.077 3.565 -15.611 548 HB2 LYS 97 HB2 LYS 97 -0.920 1.306 -13.953 549 HB3 LYS 97 HB3 LYS 97 -1.324 2.933 -13.432 550 HG2 LYS 97 HG2 LYS 97 -3.094 2.043 -14.800 551 HG3 LYS 97 HG3 LYS 97 -2.307 3.381 -15.636 552 HD2 LYS 97 HD2 LYS 97 -1.024 1.798 -16.980 553 HD3 LYS 97 HD3 LYS 97 -1.777 0.450 -16.127 554 HE2 LYS 97 HE2 LYS 97 -2.882 0.758 -18.243 555 HE3 LYS 97 HE3 LYS 97 -3.982 1.221 -16.946 556 HZ1 LYS 97 HZ1 LYS 97 -4.007 2.789 -18.809 557 HZ2 LYS 97 HZ2 LYS 97 -2.368 3.121 -18.562 558 HZ3 LYS 97 HZ3 LYS 97 -3.500 3.530 -17.374 559 H PHE 98 HN PHE 98 1.896 1.777 -13.163 560 HA PHE 98 HA PHE 98 2.238 4.239 -11.604 561 HB2 PHE 98 HB2 PHE 98 2.911 1.375 -10.899 562 HB3 PHE 98 HB3 PHE 98 3.130 2.760 -9.837 563 HD1 PHE 98 HD1 PHE 98 0.790 4.281 -9.903 564 HD2 PHE 98 HD2 PHE 98 1.156 0.056 -10.259 565 HE1 PHE 98 HE1 PHE 98 -1.512 4.018 -9.081 566 HE2 PHE 98 HE2 PHE 98 -1.147 -0.215 -9.439 567 HZ PHE 98 HZ PHE 98 -2.483 1.769 -8.847 568 H CYS 99 HN CYS 99 3.620 3.778 -14.173 569 HA CYS 99 HA CYS 99 6.381 3.279 -13.454 570 HB2 CYS 99 HB2 CYS 99 5.450 2.535 -15.640 571 HB3 CYS 99 HB3 CYS 99 5.223 4.221 -16.091 572 HG CYS 99 HG CYS 99 8.320 3.055 -15.270 573 H MET 100 HN MET 100 6.122 5.110 -11.834 574 HA MET 100 HA MET 100 7.450 7.443 -12.886 575 HB2 MET 100 HB2 MET 100 5.838 9.088 -12.264 576 HB3 MET 100 HB3 MET 100 4.974 7.895 -13.225 577 HG2 MET 100 HG2 MET 100 4.296 6.842 -11.007 578 HG3 MET 100 HG3 MET 100 4.874 8.330 -10.259 579 HE1 MET 100 HE1 MET 100 2.074 6.556 -12.188 580 HE2 MET 100 HE2 MET 100 2.812 7.427 -13.533 581 HE3 MET 100 HE3 MET 100 1.197 7.867 -12.979 582 H SER 101 HN SER 101 7.821 9.063 -11.019 583 HA SER 101 HA SER 101 8.977 7.570 -8.845 584 HB2 SER 101 HB2 SER 101 8.813 10.561 -9.357 585 HB3 SER 101 HB3 SER 101 9.733 9.815 -8.051 586 HG SER 101 HG SER 101 11.155 9.031 -9.471 587 H GLY 102 HN GLY 102 8.624 8.060 -6.593 588 HA2 GLY 102 HA2 GLY 102 5.968 7.750 -5.792 589 HA3 GLY 102 HA1 GLY 102 7.298 8.175 -4.732 590 H ALA 103 HN ALA 103 7.961 10.680 -5.967 591 HA ALA 103 HA ALA 103 6.328 12.443 -4.566 592 HB1 ALA 103 HB1 ALA 103 7.956 13.060 -7.034 593 HB2 ALA 103 HB2 ALA 103 8.586 12.989 -5.388 594 HB3 ALA 103 HB3 ALA 103 7.399 14.219 -5.825 595 H ALA 104 HN ALA 104 6.137 11.338 -7.917 596 HA ALA 104 HA ALA 104 3.970 13.062 -8.649 597 HB1 ALA 104 HB1 ALA 104 4.924 10.513 -9.963 598 HB2 ALA 104 HB2 ALA 104 5.528 12.134 -10.311 599 HB3 ALA 104 HB3 ALA 104 3.853 11.717 -10.678 600 H LEU 105 HN LEU 105 4.265 9.631 -7.755 601 HA LEU 105 HA LEU 105 1.639 8.807 -8.032 602 HB2 LEU 105 HB2 LEU 105 3.754 7.477 -7.414 603 HB3 LEU 105 HB3 LEU 105 3.387 7.914 -5.756 604 HG LEU 105 HG LEU 105 1.138 6.828 -6.063 605 HD11 LEU 105 HD11 LEU 105 2.427 5.857 -8.608 606 HD12 LEU 105 HD12 LEU 105 0.991 6.872 -8.470 607 HD13 LEU 105 HD13 LEU 105 0.946 5.202 -7.907 608 HD21 LEU 105 HD21 LEU 105 2.961 5.722 -4.882 609 HD22 LEU 105 HD22 LEU 105 3.581 5.093 -6.409 610 HD23 LEU 105 HD23 LEU 105 2.013 4.557 -5.805 611 H CYS 106 HN CYS 106 3.173 10.270 -5.162 612 HA CYS 106 HA CYS 106 0.837 10.222 -3.554 613 HB2 CYS 106 HB2 CYS 106 3.073 10.447 -2.574 614 HB3 CYS 106 HB3 CYS 106 3.286 12.000 -3.374 615 HG CYS 106 HG CYS 106 2.625 11.893 -0.439 616 H ALA 107 HN ALA 107 2.220 12.607 -5.754 617 HA ALA 107 HA ALA 107 0.414 14.722 -5.178 618 HB1 ALA 107 HB1 ALA 107 2.573 15.104 -6.238 619 HB2 ALA 107 HB2 ALA 107 1.259 15.735 -7.230 620 HB3 ALA 107 HB3 ALA 107 2.040 14.215 -7.664 621 H LEU 108 HN LEU 108 0.041 11.816 -6.993 622 HA LEU 108 HA LEU 108 -1.941 12.760 -8.820 623 HB2 LEU 108 HB2 LEU 108 -1.065 10.015 -7.972 624 HB3 LEU 108 HB3 LEU 108 -2.389 10.260 -9.089 625 HG LEU 108 HG LEU 108 0.479 11.085 -9.517 626 HD11 LEU 108 HD11 LEU 108 -1.227 8.967 -10.807 627 HD12 LEU 108 HD12 LEU 108 0.159 8.705 -9.750 628 HD13 LEU 108 HD13 LEU 108 0.388 9.433 -11.339 629 HD21 LEU 108 HD21 LEU 108 -0.302 11.670 -11.807 630 HD22 LEU 108 HD22 LEU 108 -0.926 12.729 -10.544 631 HD23 LEU 108 HD23 LEU 108 -1.960 11.483 -11.237 632 H GLY 109 HN GLY 109 -2.007 11.530 -5.551 633 HA2 GLY 109 HA2 GLY 109 -3.749 11.619 -4.030 634 HA3 GLY 109 HA1 GLY 109 -4.798 12.203 -5.312 635 H LYS 110 HN LYS 110 -5.842 10.451 -3.558 636 HA LYS 110 HA LYS 110 -5.566 7.726 -4.136 637 HB2 LYS 110 HB2 LYS 110 -6.701 8.540 -2.128 638 HB3 LYS 110 HB3 LYS 110 -7.993 9.211 -3.113 639 HG2 LYS 110 HG2 LYS 110 -8.603 6.963 -3.852 640 HG3 LYS 110 HG3 LYS 110 -7.306 6.289 -2.863 641 HD2 LYS 110 HD2 LYS 110 -9.326 6.053 -1.627 642 HD3 LYS 110 HD3 LYS 110 -8.408 7.357 -0.872 643 HE2 LYS 110 HE2 LYS 110 -9.769 9.008 -2.040 644 HE3 LYS 110 HE3 LYS 110 -10.669 7.719 -2.839 645 HZ1 LYS 110 HZ1 LYS 110 -11.452 6.979 -0.672 646 HZ2 LYS 110 HZ2 LYS 110 -11.880 8.593 -0.947 647 HZ3 LYS 110 HZ3 LYS 110 -10.594 8.224 0.088 648 H GLU 111 HN GLU 111 -7.814 10.134 -5.487 649 HA GLU 111 HA GLU 111 -9.405 8.484 -7.064 650 HB2 GLU 111 HB2 GLU 111 -9.825 10.885 -6.710 651 HB3 GLU 111 HB3 GLU 111 -8.429 11.284 -7.700 652 HG2 GLU 111 HG2 GLU 111 -9.505 10.220 -9.626 653 HG3 GLU 111 HG3 GLU 111 -10.914 9.863 -8.629 654 H CYS 112 HN CYS 112 -6.524 10.295 -8.235 655 HA CYS 112 HA CYS 112 -6.456 9.074 -10.755 656 HB2 CYS 112 HB2 CYS 112 -5.241 11.157 -10.163 657 HB3 CYS 112 HB3 CYS 112 -4.112 10.197 -9.215 658 HG CYS 112 HG CYS 112 -3.846 11.023 -12.299 659 H PHE 113 HN PHE 113 -4.766 8.201 -7.740 660 HA PHE 113 HA PHE 113 -3.210 6.117 -8.771 661 HB2 PHE 113 HB2 PHE 113 -2.894 7.125 -6.532 662 HB3 PHE 113 HB3 PHE 113 -4.387 6.364 -5.992 663 HD1 PHE 113 HD1 PHE 113 -0.904 5.794 -6.970 664 HD2 PHE 113 HD2 PHE 113 -4.475 4.023 -5.487 665 HE1 PHE 113 HE1 PHE 113 0.364 3.784 -6.334 666 HE2 PHE 113 HE2 PHE 113 -3.217 2.008 -4.848 667 HZ PHE 113 HZ PHE 113 -0.793 1.888 -5.270 668 H LEU 114 HN LEU 114 -6.498 6.094 -7.418 669 HA LEU 114 HA LEU 114 -6.879 3.303 -7.569 670 HB2 LEU 114 HB2 LEU 114 -8.252 5.168 -6.346 671 HB3 LEU 114 HB3 LEU 114 -9.148 5.232 -7.851 672 HG LEU 114 HG LEU 114 -9.683 2.826 -7.608 673 HD11 LEU 114 HD11 LEU 114 -7.763 2.148 -6.272 674 HD12 LEU 114 HD12 LEU 114 -9.270 1.724 -5.460 675 HD13 LEU 114 HD13 LEU 114 -8.341 3.124 -4.922 676 HD21 LEU 114 HD21 LEU 114 -11.254 4.510 -6.830 677 HD22 LEU 114 HD22 LEU 114 -10.446 4.563 -5.263 678 HD23 LEU 114 HD23 LEU 114 -11.287 3.098 -5.772 679 H GLU 115 HN GLU 115 -7.228 5.877 -9.918 680 HA GLU 115 HA GLU 115 -8.653 4.343 -11.866 681 HB2 GLU 115 HB2 GLU 115 -7.012 6.872 -12.083 682 HB3 GLU 115 HB3 GLU 115 -7.895 6.167 -13.431 683 HG2 GLU 115 HG2 GLU 115 -9.987 6.498 -12.309 684 HG3 GLU 115 HG3 GLU 115 -9.165 7.034 -10.845 685 H LEU 116 HN LEU 116 -5.348 4.548 -10.892 686 HA LEU 116 HA LEU 116 -4.243 3.513 -13.355 687 HB2 LEU 116 HB2 LEU 116 -3.044 4.005 -10.632 688 HB3 LEU 116 HB3 LEU 116 -2.132 3.422 -12.008 689 HG LEU 116 HG LEU 116 -3.591 6.061 -11.960 690 HD11 LEU 116 HD11 LEU 116 -1.431 7.100 -11.608 691 HD12 LEU 116 HD12 LEU 116 -0.656 5.517 -11.539 692 HD13 LEU 116 HD13 LEU 116 -1.796 5.997 -10.281 693 HD21 LEU 116 HD21 LEU 116 -3.219 5.106 -14.189 694 HD22 LEU 116 HD22 LEU 116 -1.496 4.971 -13.835 695 HD23 LEU 116 HD23 LEU 116 -2.255 6.560 -13.927 696 H ALA 117 HN ALA 117 -5.250 2.268 -10.231 697 HA ALA 117 HA ALA 117 -4.354 -0.426 -11.038 698 HB1 ALA 117 HB1 ALA 117 -4.760 0.745 -8.297 699 HB2 ALA 117 HB2 ALA 117 -3.265 0.150 -9.019 700 HB3 ALA 117 HB3 ALA 117 -4.547 -0.980 -8.591 701 HA PRO 118 HA PRO 118 -8.363 -2.202 -11.462 702 HB2 PRO 118 HB2 PRO 118 -7.570 -4.013 -9.226 703 HB3 PRO 118 HB3 PRO 118 -8.265 -4.407 -10.800 704 HG2 PRO 118 HG2 PRO 118 -5.657 -4.737 -10.286 705 HG3 PRO 118 HG3 PRO 118 -6.246 -4.250 -11.885 706 HD2 PRO 118 HD2 PRO 118 -4.805 -2.668 -9.849 707 HD3 PRO 118 HD3 PRO 118 -4.914 -2.427 -11.599 708 H ASP 119 HN ASP 119 -10.333 -2.733 -10.315 709 HA ASP 119 HA ASP 119 -11.136 -0.752 -8.494 710 HB2 ASP 119 HB2 ASP 119 -12.473 -3.319 -9.305 711 HB3 ASP 119 HB3 ASP 119 -13.249 -2.043 -8.373 712 H PHE 120 HN PHE 120 -9.694 -3.836 -7.897 713 HA PHE 120 HA PHE 120 -10.596 -3.620 -5.131 714 HB2 PHE 120 HB2 PHE 120 -10.065 -6.065 -4.850 715 HB3 PHE 120 HB3 PHE 120 -11.378 -5.710 -5.963 716 HD1 PHE 120 HD1 PHE 120 -10.846 -5.715 -8.461 717 HD2 PHE 120 HD2 PHE 120 -8.252 -7.361 -5.514 718 HE1 PHE 120 HE1 PHE 120 -9.740 -7.064 -10.194 719 HE2 PHE 120 HE2 PHE 120 -7.139 -8.709 -7.245 720 HZ PHE 120 HZ PHE 120 -7.883 -8.562 -9.587 721 H VAL 121 HN VAL 121 -7.692 -4.592 -6.967 722 HA VAL 121 HA VAL 121 -5.957 -4.701 -4.758 723 HB VAL 121 HB VAL 121 -4.122 -4.668 -6.284 724 HG11 VAL 121 HG11 VAL 121 -6.426 -6.020 -7.675 725 HG12 VAL 121 HG12 VAL 121 -5.555 -6.678 -6.290 726 HG13 VAL 121 HG13 VAL 121 -4.716 -6.424 -7.820 727 HG21 VAL 121 HG21 VAL 121 -6.062 -3.475 -8.240 728 HG22 VAL 121 HG22 VAL 121 -4.514 -4.170 -8.719 729 HG23 VAL 121 HG23 VAL 121 -4.559 -2.781 -7.633 730 H GLY 122 HN GLY 122 -6.932 -1.976 -6.787 731 HA2 GLY 122 HA2 GLY 122 -5.021 -0.093 -6.104 732 HA3 GLY 122 HA1 GLY 122 -6.692 0.286 -6.490 733 H ASP 123 HN ASP 123 -7.821 -1.133 -4.220 734 HA ASP 123 HA ASP 123 -7.784 0.935 -2.312 735 HB2 ASP 123 HB2 ASP 123 -8.706 -1.928 -1.985 736 HB3 ASP 123 HB3 ASP 123 -9.089 -0.602 -0.891 737 H ILE 124 HN ILE 124 -6.325 -2.318 -2.221 738 HA ILE 124 HA ILE 124 -5.152 -2.136 0.312 739 HB ILE 124 HB ILE 124 -4.181 -3.701 -2.076 740 HG12 ILE 124 HG12 ILE 124 -5.950 -4.544 0.229 741 HG13 ILE 124 HG13 ILE 124 -6.506 -4.206 -1.408 742 HG21 ILE 124 HG21 ILE 124 -3.531 -3.996 0.853 743 HG22 ILE 124 HG22 ILE 124 -2.427 -3.498 -0.428 744 HG23 ILE 124 HG23 ILE 124 -3.070 -5.139 -0.409 745 HD11 ILE 124 HD11 ILE 124 -5.164 -6.049 -2.247 746 HD12 ILE 124 HD12 ILE 124 -6.302 -6.590 -1.013 747 HD13 ILE 124 HD13 ILE 124 -4.596 -6.386 -0.613 748 H LEU 125 HN LEU 125 -3.672 -1.596 -2.877 749 HA LEU 125 HA LEU 125 -1.116 -0.906 -2.035 750 HB2 LEU 125 HB2 LEU 125 -2.645 0.228 -4.403 751 HB3 LEU 125 HB3 LEU 125 -0.909 0.305 -4.183 752 HG LEU 125 HG LEU 125 -2.510 -2.229 -4.530 753 HD11 LEU 125 HD11 LEU 125 -0.701 -0.759 -6.439 754 HD12 LEU 125 HD12 LEU 125 -2.450 -0.941 -6.577 755 HD13 LEU 125 HD13 LEU 125 -1.403 -2.353 -6.717 756 HD21 LEU 125 HD21 LEU 125 -0.319 -3.309 -4.750 757 HD22 LEU 125 HD22 LEU 125 -0.541 -2.588 -3.156 758 HD23 LEU 125 HD23 LEU 125 0.466 -1.779 -4.358 759 H TRP 126 HN TRP 126 -3.769 1.436 -2.802 760 HA TRP 126 HA TRP 126 -2.284 3.650 -1.794 761 HB2 TRP 126 HB2 TRP 126 -3.983 4.371 -3.214 762 HB3 TRP 126 HB3 TRP 126 -5.144 3.192 -2.616 763 HD1 TRP 126 HD1 TRP 126 -3.986 6.748 -2.110 764 HE1 TRP 126 HE1 TRP 126 -5.467 7.892 -0.345 765 HE3 TRP 126 HE3 TRP 126 -6.533 2.655 -0.419 766 HZ2 TRP 126 HZ2 TRP 126 -7.453 7.153 1.522 767 HZ3 TRP 126 HZ3 TRP 126 -8.204 2.957 1.359 768 HH2 TRP 126 HH2 TRP 126 -8.653 5.159 2.310 769 H GLU 127 HN GLU 127 -4.232 1.245 -0.172 770 HA GLU 127 HA GLU 127 -4.818 2.691 2.184 771 HB2 GLU 127 HB2 GLU 127 -5.775 0.456 1.586 772 HB3 GLU 127 HB3 GLU 127 -4.222 -0.277 1.952 773 HG2 GLU 127 HG2 GLU 127 -4.412 0.534 4.266 774 HG3 GLU 127 HG3 GLU 127 -6.001 1.196 3.882 775 H HIS 128 HN HIS 128 -2.128 0.405 1.531 776 HA HIS 128 HA HIS 128 -0.700 1.132 3.897 777 HB2 HIS 128 HB2 HIS 128 -0.474 -1.092 2.851 778 HB3 HIS 128 HB3 HIS 128 0.257 -0.345 1.437 779 HD1 HIS 128 HD1 HIS 128 2.380 -1.817 1.859 780 HD2 HIS 128 HD2 HIS 128 1.536 0.923 4.867 781 HE1 HIS 128 HE1 HIS 128 4.463 -1.692 3.259 782 HE2 HIS 128 HE2 HIS 128 3.934 -0.023 5.071 783 H LEU 129 HN LEU 129 -0.567 2.062 0.506 784 HA LEU 129 HA LEU 129 1.843 3.468 0.461 785 HB2 LEU 129 HB2 LEU 129 0.436 2.894 -1.514 786 HB3 LEU 129 HB3 LEU 129 -0.691 4.147 -1.037 787 HG LEU 129 HG LEU 129 1.116 5.830 -1.329 788 HD11 LEU 129 HD11 LEU 129 2.650 3.480 -2.429 789 HD12 LEU 129 HD12 LEU 129 3.047 4.411 -0.985 790 HD13 LEU 129 HD13 LEU 129 3.130 5.170 -2.575 791 HD21 LEU 129 HD21 LEU 129 0.501 4.116 -3.734 792 HD22 LEU 129 HD22 LEU 129 1.090 5.779 -3.780 793 HD23 LEU 129 HD23 LEU 129 -0.498 5.425 -3.100 794 H GLU 130 HN GLU 130 -1.434 4.580 1.297 795 HA GLU 130 HA GLU 130 -0.688 7.258 1.756 796 HB2 GLU 130 HB2 GLU 130 -3.011 6.530 1.287 797 HB3 GLU 130 HB3 GLU 130 -3.062 5.771 2.872 798 HG2 GLU 130 HG2 GLU 130 -2.798 7.932 3.941 799 HG3 GLU 130 HG3 GLU 130 -2.675 8.713 2.365 800 H ILE 131 HN ILE 131 -0.888 4.414 3.803 801 HA ILE 131 HA ILE 131 -0.609 5.598 6.315 802 HB ILE 131 HB ILE 131 0.228 2.902 5.263 803 HG12 ILE 131 HG12 ILE 131 -1.889 3.648 7.285 804 HG13 ILE 131 HG13 ILE 131 -2.204 3.507 5.559 805 HG21 ILE 131 HG21 ILE 131 0.468 3.889 8.099 806 HG22 ILE 131 HG22 ILE 131 1.786 3.404 7.033 807 HG23 ILE 131 HG23 ILE 131 0.621 2.206 7.595 808 HD11 ILE 131 HD11 ILE 131 -1.523 1.158 5.639 809 HD12 ILE 131 HD12 ILE 131 -2.872 1.497 6.724 810 HD13 ILE 131 HD13 ILE 131 -1.243 1.309 7.374 811 H LEU 132 HN LEU 132 1.846 4.604 3.957 812 HA LEU 132 HA LEU 132 4.145 5.061 5.471 813 HB2 LEU 132 HB2 LEU 132 3.646 5.338 2.514 814 HB3 LEU 132 HB3 LEU 132 5.238 5.487 3.231 815 HG LEU 132 HG LEU 132 3.517 3.016 3.454 816 HD11 LEU 132 HD11 LEU 132 4.994 2.035 1.779 817 HD12 LEU 132 HD12 LEU 132 5.822 3.581 1.593 818 HD13 LEU 132 HD13 LEU 132 4.128 3.426 1.127 819 HD21 LEU 132 HD21 LEU 132 5.591 1.955 4.185 820 HD22 LEU 132 HD22 LEU 132 5.150 3.287 5.253 821 HD23 LEU 132 HD23 LEU 132 6.432 3.499 4.061 822 H GLN 133 HN GLN 133 2.126 7.304 3.636 823 HA GLN 133 HA GLN 133 3.818 9.569 3.866 824 HB2 GLN 133 HB2 GLN 133 0.820 9.654 3.596 825 HB3 GLN 133 HB3 GLN 133 1.987 10.852 3.058 826 HG2 GLN 133 HG2 GLN 133 2.779 9.378 1.334 827 HG3 GLN 133 HG3 GLN 133 1.739 8.081 1.921 828 HE21 GLN 133 HE21 GLN 133 0.665 7.875 -0.027 829 HE22 GLN 133 HE22 GLN 133 -0.459 9.056 -0.596 830 H LYS 134 HN LYS 134 1.003 8.451 5.698 831 HA LYS 134 HA LYS 134 1.328 10.530 7.704 832 HB2 LYS 134 HB2 LYS 134 -0.723 9.587 8.678 833 HB3 LYS 134 HB3 LYS 134 -0.918 10.007 6.983 834 HG2 LYS 134 HG2 LYS 134 -0.602 7.638 6.386 835 HG3 LYS 134 HG3 LYS 134 -0.494 7.241 8.101 836 HD2 LYS 134 HD2 LYS 134 -2.867 8.551 6.774 837 HD3 LYS 134 HD3 LYS 134 -2.741 6.831 7.147 838 HE2 LYS 134 HE2 LYS 134 -2.498 7.388 9.530 839 HE3 LYS 134 HE3 LYS 134 -2.676 9.097 9.137 840 HZ1 LYS 134 HZ1 LYS 134 -4.755 8.155 9.907 841 HZ2 LYS 134 HZ2 LYS 134 -4.722 6.992 8.680 842 HZ3 LYS 134 HZ3 LYS 134 -4.894 8.629 8.289 843 H GLU 135 HN GLU 135 3.442 8.489 7.453 844 HA GLU 135 HA GLU 135 3.224 6.537 9.468 845 HB2 GLU 135 HB2 GLU 135 4.905 6.443 7.672 846 HB3 GLU 135 HB3 GLU 135 5.715 7.844 8.358 847 HG2 GLU 135 HG2 GLU 135 6.879 5.804 8.942 848 HG3 GLU 135 HG3 GLU 135 6.218 6.577 10.379 849 H ASP 136 HN ASP 136 4.974 9.654 9.523 850 HA ASP 136 HA ASP 136 4.128 10.377 12.098 851 HB2 ASP 136 HB2 ASP 136 5.726 8.345 12.501 852 HB3 ASP 136 HB3 ASP 136 7.002 9.518 12.192 853 H VAL 137 HN VAL 137 4.093 12.500 11.755 854 HA VAL 137 HA VAL 137 6.552 13.802 10.793 855 HB VAL 137 HB VAL 137 5.189 15.445 9.544 856 HG11 VAL 137 HG11 VAL 137 4.763 12.585 8.685 857 HG12 VAL 137 HG12 VAL 137 6.209 13.549 8.390 858 HG13 VAL 137 HG13 VAL 137 4.679 14.004 7.642 859 HG21 VAL 137 HG21 VAL 137 2.844 14.930 9.026 860 HG22 VAL 137 HG22 VAL 137 3.086 15.215 10.750 861 HG23 VAL 137 HG23 VAL 137 2.901 13.568 10.145 862 H LYS 138 HN LYS 138 6.922 15.926 11.538 863 HA LYS 138 HA LYS 138 6.187 16.400 14.209 864 HB2 LYS 138 HB2 LYS 138 8.276 17.235 13.272 865 HB3 LYS 138 HB3 LYS 138 7.393 18.285 12.174 866 HG2 LYS 138 HG2 LYS 138 6.536 19.562 14.060 867 HG3 LYS 138 HG3 LYS 138 7.383 18.491 15.179 868 HD2 LYS 138 HD2 LYS 138 9.521 19.183 14.282 869 HD3 LYS 138 HD3 LYS 138 8.721 20.163 13.053 870 HE2 LYS 138 HE2 LYS 138 9.483 21.603 14.820 871 HE3 LYS 138 HE3 LYS 138 7.723 21.533 14.863 872 HZ1 LYS 138 HZ1 LYS 138 9.551 19.988 16.624 873 HZ2 LYS 138 HZ2 LYS 138 7.862 19.948 16.677 874 HZ3 LYS 138 HZ3 LYS 138 8.684 21.369 17.077 Start of MODEL 15 1 H HIS 28 H1 HIS 28 -28.398 31.669 16.258 2 HA HIS 28 HA HIS 28 -27.014 31.594 18.188 3 HB2 HIS 28 HB2 HIS 28 -24.603 31.800 18.048 4 HB3 HIS 28 HB3 HIS 28 -25.118 30.422 17.083 5 HD1 HIS 28 HD1 HIS 28 -23.284 33.589 16.889 6 HD2 HIS 28 HD2 HIS 28 -25.016 30.906 14.232 7 HE1 HIS 28 HE1 HIS 28 -22.317 34.155 14.637 8 HE2 HIS 28 HE2 HIS 28 -23.397 32.533 13.040 9 H MET 29 HN MET 29 -25.712 33.542 19.063 10 HA MET 29 HA MET 29 -26.941 35.940 17.939 11 HB2 MET 29 HB2 MET 29 -27.194 35.478 20.352 12 HB3 MET 29 HB3 MET 29 -25.448 35.564 20.544 13 HG2 MET 29 HG2 MET 29 -25.510 37.911 19.804 14 HG3 MET 29 HG3 MET 29 -27.265 37.809 19.695 15 HE1 MET 29 HE1 MET 29 -28.304 37.286 23.422 16 HE2 MET 29 HE2 MET 29 -28.042 36.051 22.191 17 HE3 MET 29 HE3 MET 29 -28.874 37.548 21.775 18 H GLU 30 HN GLU 30 -23.731 35.167 19.325 19 HA GLU 30 HA GLU 30 -22.535 36.935 17.290 20 HB2 GLU 30 HB2 GLU 30 -21.644 36.524 20.152 21 HB3 GLU 30 HB3 GLU 30 -20.784 37.483 18.955 22 HG2 GLU 30 HG2 GLU 30 -22.621 39.036 18.813 23 HG3 GLU 30 HG3 GLU 30 -23.585 38.040 19.901 24 H CYS 31 HN CYS 31 -21.645 34.331 19.579 25 HA CYS 31 HA CYS 31 -19.770 33.299 17.560 26 HB2 CYS 31 HB2 CYS 31 -18.772 33.853 19.736 27 HB3 CYS 31 HB3 CYS 31 -19.896 32.761 20.535 28 HG CYS 31 HG CYS 31 -18.205 31.199 18.150 29 H ALA 32 HN ALA 32 -20.157 31.425 16.574 30 HA ALA 32 HA ALA 32 -22.514 29.888 17.345 31 HB1 ALA 32 HB1 ALA 32 -22.324 28.823 15.189 32 HB2 ALA 32 HB2 ALA 32 -20.748 29.569 14.921 33 HB3 ALA 32 HB3 ALA 32 -22.197 30.571 14.991 34 H ASP 33 HN ASP 33 -19.065 29.303 16.643 35 HA ASP 33 HA ASP 33 -19.134 27.038 18.502 36 HB2 ASP 33 HB2 ASP 33 -19.360 26.078 16.261 37 HB3 ASP 33 HB3 ASP 33 -17.926 26.950 15.727 38 H VAL 34 HN VAL 34 -17.315 26.781 19.721 39 HA VAL 34 HA VAL 34 -15.403 28.959 19.660 40 HB VAL 34 HB VAL 34 -14.515 27.992 21.749 41 HG11 VAL 34 HG11 VAL 34 -16.323 29.610 21.851 42 HG12 VAL 34 HG12 VAL 34 -16.489 28.415 23.138 43 HG13 VAL 34 HG13 VAL 34 -17.512 28.316 21.705 44 HG21 VAL 34 HG21 VAL 34 -14.912 25.633 21.325 45 HG22 VAL 34 HG22 VAL 34 -16.654 25.897 21.363 46 HG23 VAL 34 HG23 VAL 34 -15.697 26.120 22.827 47 HA PRO 35 HA PRO 35 -12.344 26.762 17.304 48 HB2 PRO 35 HB2 PRO 35 -10.402 28.530 18.653 49 HB3 PRO 35 HB3 PRO 35 -10.756 28.355 16.933 50 HG2 PRO 35 HG2 PRO 35 -11.519 30.529 18.294 51 HG3 PRO 35 HG3 PRO 35 -12.528 29.839 17.009 52 HD2 PRO 35 HD2 PRO 35 -12.813 29.594 19.981 53 HD3 PRO 35 HD3 PRO 35 -14.066 29.833 18.744 54 H LEU 36 HN LEU 36 -11.064 25.027 17.643 55 HA LEU 36 HA LEU 36 -9.859 24.624 20.284 56 HB2 LEU 36 HB2 LEU 36 -11.658 22.667 18.862 57 HB3 LEU 36 HB3 LEU 36 -10.621 22.231 20.207 58 HG LEU 36 HG LEU 36 -12.822 24.292 20.364 59 HD11 LEU 36 HD11 LEU 36 -14.073 22.595 21.603 60 HD12 LEU 36 HD12 LEU 36 -12.804 21.417 21.271 61 HD13 LEU 36 HD13 LEU 36 -13.755 22.085 19.945 62 HD21 LEU 36 HD21 LEU 36 -12.495 24.086 22.776 63 HD22 LEU 36 HD22 LEU 36 -11.020 24.630 21.976 64 HD23 LEU 36 HD23 LEU 36 -11.170 22.955 22.504 65 H LEU 37 HN LEU 37 -7.963 23.472 20.292 66 HA LEU 37 HA LEU 37 -6.724 23.063 17.686 67 HB2 LEU 37 HB2 LEU 37 -5.495 24.333 19.374 68 HB3 LEU 37 HB3 LEU 37 -5.568 22.972 20.475 69 HG LEU 37 HG LEU 37 -4.182 21.653 18.896 70 HD11 LEU 37 HD11 LEU 37 -3.024 22.814 17.078 71 HD12 LEU 37 HD12 LEU 37 -3.978 24.263 17.399 72 HD13 LEU 37 HD13 LEU 37 -4.770 22.793 16.830 73 HD21 LEU 37 HD21 LEU 37 -3.158 22.846 20.765 74 HD22 LEU 37 HD22 LEU 37 -2.978 24.282 19.756 75 HD23 LEU 37 HD23 LEU 37 -2.087 22.811 19.364 76 H TPO 38 HN TPO 38 -6.505 21.121 16.777 77 HA TPO 38 HA TPO 38 -6.521 18.735 18.483 78 HB TPO 38 HB TPO 38 -8.071 18.847 15.896 79 HG21 TPO 38 HG21 TPO 38 -7.471 16.608 16.746 80 HG22 TPO 38 HG22 TPO 38 -9.211 16.901 16.734 81 HG23 TPO 38 HG23 TPO 38 -8.313 16.984 18.250 82 HA PRO 39 HA PRO 39 -2.939 18.264 15.731 83 HB2 PRO 39 HB2 PRO 39 -1.711 16.385 17.258 84 HB3 PRO 39 HB3 PRO 39 -1.621 18.114 17.610 85 HG2 PRO 39 HG2 PRO 39 -3.385 16.022 18.828 86 HG3 PRO 39 HG3 PRO 39 -2.485 17.327 19.623 87 HD2 PRO 39 HD2 PRO 39 -5.134 17.499 19.108 88 HD3 PRO 39 HD3 PRO 39 -4.068 18.918 19.086 89 H SER 40 HN SER 40 -1.989 16.363 14.621 90 HA SER 40 HA SER 40 -4.011 14.698 13.549 91 HB2 SER 40 HB2 SER 40 -2.176 13.599 12.308 92 HB3 SER 40 HB3 SER 40 -2.085 15.358 12.205 93 HG SER 40 HG SER 40 -0.102 15.026 12.847 94 H SEP 41 HN SEP 41 -4.707 12.751 14.096 95 HA SEP 41 HA SEP 41 -3.331 11.356 16.286 96 HB2 SEP 41 HB2 SEP 41 -6.232 11.146 15.439 97 HB3 SEP 41 HB3 SEP 41 -5.495 10.297 16.801 98 H LYS 42 HN LYS 42 -4.516 11.034 13.027 99 HA LYS 42 HA LYS 42 -4.195 8.177 12.933 100 HB2 LYS 42 HB2 LYS 42 -4.535 10.106 10.631 101 HB3 LYS 42 HB3 LYS 42 -4.800 8.369 10.597 102 HG2 LYS 42 HG2 LYS 42 -6.402 10.360 12.191 103 HG3 LYS 42 HG3 LYS 42 -6.902 9.602 10.678 104 HD2 LYS 42 HD2 LYS 42 -7.011 7.455 11.688 105 HD3 LYS 42 HD3 LYS 42 -6.193 8.023 13.144 106 HE2 LYS 42 HE2 LYS 42 -8.890 9.002 12.217 107 HE3 LYS 42 HE3 LYS 42 -8.655 7.717 13.401 108 HZ1 LYS 42 HZ1 LYS 42 -7.416 9.333 14.774 109 HZ2 LYS 42 HZ2 LYS 42 -9.032 9.772 14.538 110 HZ3 LYS 42 HZ3 LYS 42 -7.810 10.553 13.669 111 H GLU 43 HN GLU 43 -2.136 10.911 12.477 112 HA GLU 43 HA GLU 43 -0.264 9.623 10.720 113 HB2 GLU 43 HB2 GLU 43 -0.077 12.132 12.392 114 HB3 GLU 43 HB3 GLU 43 1.222 11.567 11.351 115 HG2 GLU 43 HG2 GLU 43 -0.508 11.620 9.470 116 HG3 GLU 43 HG3 GLU 43 -1.492 12.573 10.579 117 H MET 44 HN MET 44 -0.643 9.970 14.201 118 HA MET 44 HA MET 44 1.935 9.128 14.968 119 HB2 MET 44 HB2 MET 44 -0.708 8.952 16.421 120 HB3 MET 44 HB3 MET 44 0.843 8.577 17.159 121 HG2 MET 44 HG2 MET 44 1.581 10.890 16.654 122 HG3 MET 44 HG3 MET 44 -0.046 11.238 16.072 123 HE1 MET 44 HE1 MET 44 -2.164 10.725 19.346 124 HE2 MET 44 HE2 MET 44 -1.836 9.583 18.042 125 HE3 MET 44 HE3 MET 44 -2.219 11.264 17.668 126 H MET 45 HN MET 45 -0.861 7.347 13.882 127 HA MET 45 HA MET 45 -0.367 4.825 14.955 128 HB2 MET 45 HB2 MET 45 -1.520 5.518 12.247 129 HB3 MET 45 HB3 MET 45 -1.616 3.936 13.006 130 HG2 MET 45 HG2 MET 45 -2.843 5.013 14.898 131 HG3 MET 45 HG3 MET 45 -2.886 6.494 13.945 132 HE1 MET 45 HE1 MET 45 -4.999 5.346 10.829 133 HE2 MET 45 HE2 MET 45 -3.244 5.271 10.986 134 HE3 MET 45 HE3 MET 45 -4.122 6.681 11.577 135 H SER 46 HN SER 46 1.175 6.460 12.261 136 HA SER 46 HA SER 46 2.396 4.375 10.912 137 HB2 SER 46 HB2 SER 46 3.476 7.139 11.493 138 HB3 SER 46 HB3 SER 46 4.150 6.028 10.300 139 HG SER 46 HG SER 46 2.553 6.464 8.990 140 H GLN 47 HN GLN 47 3.385 5.937 13.927 141 HA GLN 47 HA GLN 47 5.940 4.960 14.244 142 HB2 GLN 47 HB2 GLN 47 3.773 5.443 16.283 143 HB3 GLN 47 HB3 GLN 47 5.432 5.053 16.723 144 HG2 GLN 47 HG2 GLN 47 6.220 7.055 15.595 145 HG3 GLN 47 HG3 GLN 47 4.573 7.433 15.091 146 HE21 GLN 47 HE21 GLN 47 3.090 8.172 16.623 147 HE22 GLN 47 HE22 GLN 47 3.589 8.776 18.162 148 H ALA 48 HN ALA 48 2.921 3.386 15.333 149 HA ALA 48 HA ALA 48 4.312 0.982 16.075 150 HB1 ALA 48 HB1 ALA 48 2.336 1.731 17.314 151 HB2 ALA 48 HB2 ALA 48 2.110 0.113 16.651 152 HB3 ALA 48 HB3 ALA 48 1.350 1.500 15.870 153 H LEU 49 HN LEU 49 2.587 2.138 13.273 154 HA LEU 49 HA LEU 49 2.009 -0.310 12.032 155 HB2 LEU 49 HB2 LEU 49 2.459 2.463 10.972 156 HB3 LEU 49 HB3 LEU 49 2.089 1.121 9.903 157 HG LEU 49 HG LEU 49 0.315 1.947 12.200 158 HD11 LEU 49 HD11 LEU 49 0.569 3.743 10.484 159 HD12 LEU 49 HD12 LEU 49 -1.068 3.112 10.650 160 HD13 LEU 49 HD13 LEU 49 -0.065 2.610 9.290 161 HD21 LEU 49 HD21 LEU 49 -1.364 0.623 10.981 162 HD22 LEU 49 HD22 LEU 49 0.014 -0.347 11.500 163 HD23 LEU 49 HD23 LEU 49 -0.124 0.156 9.816 164 H LYS 50 HN LYS 50 4.971 1.581 12.158 165 HA LYS 50 HA LYS 50 6.345 0.298 10.044 166 HB2 LYS 50 HB2 LYS 50 7.322 1.741 12.515 167 HB3 LYS 50 HB3 LYS 50 8.414 1.105 11.292 168 HG2 LYS 50 HG2 LYS 50 7.520 2.564 9.630 169 HG3 LYS 50 HG3 LYS 50 6.223 3.082 10.708 170 HD2 LYS 50 HD2 LYS 50 9.133 3.490 11.351 171 HD3 LYS 50 HD3 LYS 50 8.182 4.672 10.453 172 HE2 LYS 50 HE2 LYS 50 6.601 4.792 12.340 173 HE3 LYS 50 HE3 LYS 50 7.614 3.662 13.237 174 HZ1 LYS 50 HZ1 LYS 50 8.445 6.352 12.288 175 HZ2 LYS 50 HZ2 LYS 50 9.417 5.271 13.152 176 HZ3 LYS 50 HZ3 LYS 50 8.049 5.947 13.882 177 H ALA 51 HN ALA 51 5.682 -0.640 13.327 178 HA ALA 51 HA ALA 51 7.661 -2.788 13.294 179 HB1 ALA 51 HB1 ALA 51 7.436 -1.531 15.357 180 HB2 ALA 51 HB2 ALA 51 6.935 -3.201 15.610 181 HB3 ALA 51 HB3 ALA 51 5.722 -1.933 15.443 182 H THR 52 HN THR 52 4.204 -2.303 12.977 183 HA THR 52 HA THR 52 3.451 -5.032 13.335 184 HB THR 52 HB THR 52 1.289 -4.366 12.307 185 HG1 THR 52 HG1 THR 52 1.139 -2.549 11.224 186 HG21 THR 52 HG21 THR 52 0.620 -2.797 14.060 187 HG22 THR 52 HG22 THR 52 2.312 -2.450 14.405 188 HG23 THR 52 HG23 THR 52 1.664 -4.060 14.711 189 H PHE 53 HN PHE 53 4.478 -3.109 10.577 190 HA PHE 53 HA PHE 53 3.796 -5.219 8.696 191 HB2 PHE 53 HB2 PHE 53 4.848 -2.420 8.433 192 HB3 PHE 53 HB3 PHE 53 4.996 -3.543 7.086 193 HD1 PHE 53 HD2 PHE 53 2.495 -2.065 9.411 194 HD2 PHE 53 HD1 PHE 53 3.234 -3.837 5.612 195 HE1 PHE 53 HE2 PHE 53 0.192 -1.545 8.724 196 HE2 PHE 53 HE1 PHE 53 0.931 -3.320 4.919 197 HZ PHE 53 HZ PHE 53 -0.594 -2.173 6.476 198 H SER 54 HN SER 54 5.235 -6.748 9.826 199 HA SER 54 HA SER 54 8.068 -6.390 9.730 200 HB2 SER 54 HB2 SER 54 6.412 -8.896 10.119 201 HB3 SER 54 HB3 SER 54 8.157 -8.794 10.352 202 HG SER 54 HG SER 54 6.759 -8.534 12.274 203 H GLY 55 HN GLY 55 5.691 -7.532 7.470 204 HA2 GLY 55 HA2 GLY 55 7.572 -8.968 5.813 205 HA3 GLY 55 HA1 GLY 55 5.888 -8.637 5.443 206 H PHE 56 HN PHE 56 6.632 -5.693 6.163 207 HA PHE 56 HA PHE 56 7.453 -5.018 3.434 208 HB2 PHE 56 HB2 PHE 56 5.379 -3.980 4.338 209 HB3 PHE 56 HB3 PHE 56 6.347 -3.187 5.576 210 HD1 PHE 56 HD1 PHE 56 7.047 -3.665 1.952 211 HD2 PHE 56 HD2 PHE 56 6.220 -0.918 5.097 212 HE1 PHE 56 HE1 PHE 56 7.464 -1.791 0.418 213 HE2 PHE 56 HE2 PHE 56 6.637 0.961 3.565 214 HZ PHE 56 HZ PHE 56 7.262 0.525 1.222 215 H THR 57 HN THR 57 8.181 -3.985 6.776 216 HA THR 57 HA THR 57 10.374 -2.377 6.222 217 HB THR 57 HB THR 57 9.956 -4.095 8.676 218 HG1 THR 57 HG1 THR 57 9.172 -1.417 8.074 219 HG21 THR 57 HG21 THR 57 11.371 -2.407 9.805 220 HG22 THR 57 HG22 THR 57 11.689 -1.657 8.240 221 HG23 THR 57 HG23 THR 57 12.246 -3.300 8.561 222 H LYS 58 HN LYS 58 10.213 -5.883 6.480 223 HA LYS 58 HA LYS 58 12.975 -6.390 6.623 224 HB2 LYS 58 HB2 LYS 58 12.437 -8.640 5.800 225 HB3 LYS 58 HB3 LYS 58 11.332 -8.137 7.071 226 HG2 LYS 58 HG2 LYS 58 9.644 -7.599 5.391 227 HG3 LYS 58 HG3 LYS 58 10.755 -8.097 4.115 228 HD2 LYS 58 HD2 LYS 58 9.717 -9.870 6.326 229 HD3 LYS 58 HD3 LYS 58 9.117 -9.850 4.668 230 HE2 LYS 58 HE2 LYS 58 11.922 -10.559 5.535 231 HE3 LYS 58 HE3 LYS 58 10.676 -11.699 5.029 232 HZ1 LYS 58 HZ1 LYS 58 10.661 -10.593 2.846 233 HZ2 LYS 58 HZ2 LYS 58 12.162 -11.278 3.214 234 HZ3 LYS 58 HZ3 LYS 58 11.944 -9.606 3.344 235 H GLU 59 HN GLU 59 10.864 -5.622 3.953 236 HA GLU 59 HA GLU 59 12.847 -6.212 1.930 237 HB2 GLU 59 HB2 GLU 59 10.411 -6.477 1.509 238 HB3 GLU 59 HB3 GLU 59 10.205 -4.744 1.718 239 HG2 GLU 59 HG2 GLU 59 10.235 -5.204 -0.611 240 HG3 GLU 59 HG3 GLU 59 11.745 -4.393 -0.200 241 H GLN 60 HN GLN 60 11.462 -3.376 3.544 242 HA GLN 60 HA GLN 60 12.652 -1.361 2.038 243 HB2 GLN 60 HB2 GLN 60 12.122 -1.263 5.008 244 HB3 GLN 60 HB3 GLN 60 12.248 0.108 3.915 245 HG2 GLN 60 HG2 GLN 60 10.251 -0.938 2.694 246 HG3 GLN 60 HG3 GLN 60 10.060 -1.913 4.148 247 HE21 GLN 60 HE21 GLN 60 9.925 1.304 2.816 248 HE22 GLN 60 HE22 GLN 60 9.059 2.021 4.128 249 H GLN 61 HN GLN 61 14.031 -3.418 4.501 250 HA GLN 61 HA GLN 61 16.426 -1.789 4.741 251 HB2 GLN 61 HB2 GLN 61 17.187 -3.399 6.336 252 HB3 GLN 61 HB3 GLN 61 15.485 -3.107 6.656 253 HG2 GLN 61 HG2 GLN 61 14.914 -5.175 5.490 254 HG3 GLN 61 HG3 GLN 61 16.623 -5.471 5.181 255 HE21 GLN 61 HE21 GLN 61 14.709 -7.106 6.625 256 HE22 GLN 61 HE22 GLN 61 15.339 -7.299 8.222 257 H ARG 62 HN ARG 62 15.439 -4.767 3.134 258 HA ARG 62 HA ARG 62 17.995 -5.596 2.275 259 HB2 ARG 62 HB2 ARG 62 15.404 -6.579 2.092 260 HB3 ARG 62 HB3 ARG 62 15.844 -6.260 0.420 261 HG2 ARG 62 HG2 ARG 62 16.462 -8.478 0.793 262 HG3 ARG 62 HG3 ARG 62 17.972 -7.570 0.898 263 HD2 ARG 62 HD2 ARG 62 17.915 -9.158 2.694 264 HD3 ARG 62 HD3 ARG 62 17.716 -7.543 3.370 265 HE ARG 62 HE ARG 62 15.224 -8.858 2.830 266 HH11 ARG 62 HH11 ARG 62 17.799 -8.511 5.179 267 HH12 ARG 62 HH12 ARG 62 16.802 -8.968 6.518 268 HH21 ARG 62 HH21 ARG 62 13.921 -9.462 4.595 269 HH22 ARG 62 HH22 ARG 62 14.601 -9.509 6.188 270 H LEU 63 HN LEU 63 15.532 -3.550 0.740 271 HA LEU 63 HA LEU 63 17.310 -3.025 -1.540 272 HB2 LEU 63 HB2 LEU 63 14.442 -2.203 -1.106 273 HB3 LEU 63 HB3 LEU 63 15.357 -2.064 -2.594 274 HG LEU 63 HG LEU 63 14.718 -4.707 -1.291 275 HD11 LEU 63 HD11 LEU 63 12.971 -4.932 -3.001 276 HD12 LEU 63 HD12 LEU 63 13.257 -3.263 -3.495 277 HD13 LEU 63 HD13 LEU 63 12.642 -3.611 -1.879 278 HD21 LEU 63 HD21 LEU 63 16.644 -4.687 -2.816 279 HD22 LEU 63 HD22 LEU 63 15.620 -4.009 -4.082 280 HD23 LEU 63 HD23 LEU 63 15.298 -5.627 -3.461 281 H GLY 64 HN GLY 64 15.897 -1.438 1.265 282 HA2 GLY 64 HA2 GLY 64 16.881 0.513 2.213 283 HA3 GLY 64 HA1 GLY 64 17.482 0.952 0.622 284 H ILE 65 HN ILE 65 14.316 -0.085 0.341 285 HA ILE 65 HA ILE 65 13.253 2.298 -0.547 286 HB ILE 65 HB ILE 65 11.721 0.046 0.765 287 HG12 ILE 65 HG12 ILE 65 12.256 0.506 -2.176 288 HG13 ILE 65 HG13 ILE 65 13.202 -0.592 -1.176 289 HG21 ILE 65 HG21 ILE 65 10.363 2.038 0.602 290 HG22 ILE 65 HG22 ILE 65 9.828 0.859 -0.596 291 HG23 ILE 65 HG23 ILE 65 10.807 2.239 -1.093 292 HD11 ILE 65 HD11 ILE 65 11.545 -1.803 -2.447 293 HD12 ILE 65 HD12 ILE 65 10.257 -0.811 -1.758 294 HD13 ILE 65 HD13 ILE 65 11.183 -1.899 -0.724 295 HA PRO 66 HA PRO 66 12.969 4.631 3.278 296 HB2 PRO 66 HB2 PRO 66 11.403 6.489 1.603 297 HB3 PRO 66 HB3 PRO 66 12.880 6.779 2.525 298 HG2 PRO 66 HG2 PRO 66 12.890 6.651 -0.153 299 HG3 PRO 66 HG3 PRO 66 14.247 6.051 0.818 300 HD2 PRO 66 HD2 PRO 66 12.067 4.525 -0.547 301 HD3 PRO 66 HD3 PRO 66 13.790 4.129 -0.381 302 H LYS 67 HN LYS 67 11.204 5.605 4.582 303 HA LYS 67 HA LYS 67 8.732 4.065 4.252 304 HB2 LYS 67 HB2 LYS 67 9.956 5.471 6.625 305 HB3 LYS 67 HB3 LYS 67 8.312 4.850 6.644 306 HG2 LYS 67 HG2 LYS 67 9.648 3.215 7.679 307 HG3 LYS 67 HG3 LYS 67 9.277 2.595 6.071 308 HD2 LYS 67 HD2 LYS 67 11.473 3.311 5.278 309 HD3 LYS 67 HD3 LYS 67 11.841 3.976 6.870 310 HE2 LYS 67 HE2 LYS 67 11.264 1.074 6.284 311 HE3 LYS 67 HE3 LYS 67 12.870 1.766 6.496 312 HZ1 LYS 67 HZ1 LYS 67 12.179 0.757 8.533 313 HZ2 LYS 67 HZ2 LYS 67 10.720 1.613 8.538 314 HZ3 LYS 67 HZ3 LYS 67 12.181 2.435 8.758 315 H ASP 68 HN ASP 68 9.044 6.223 2.503 316 HA ASP 68 HA ASP 68 6.706 7.776 3.181 317 HB2 ASP 68 HB2 ASP 68 8.528 9.059 4.254 318 HB3 ASP 68 HB3 ASP 68 9.340 9.179 2.698 319 HA PRO 69 HA PRO 69 6.349 7.108 -1.236 320 HB2 PRO 69 HB2 PRO 69 4.023 8.498 -1.560 321 HB3 PRO 69 HB3 PRO 69 4.098 6.859 -0.907 322 HG2 PRO 69 HG2 PRO 69 3.825 9.461 0.534 323 HG3 PRO 69 HG3 PRO 69 3.018 7.915 0.845 324 HD2 PRO 69 HD2 PRO 69 5.127 8.787 2.304 325 HD3 PRO 69 HD3 PRO 69 4.811 7.070 2.007 326 H ARG 70 HN ARG 70 5.940 10.379 0.178 327 HA ARG 70 HA ARG 70 6.231 11.792 -2.238 328 HB2 ARG 70 HB2 ARG 70 6.748 12.561 0.629 329 HB3 ARG 70 HB3 ARG 70 7.012 13.686 -0.694 330 HG2 ARG 70 HG2 ARG 70 4.882 14.203 0.077 331 HG3 ARG 70 HG3 ARG 70 4.587 13.207 -1.348 332 HD2 ARG 70 HD2 ARG 70 3.119 12.576 0.502 333 HD3 ARG 70 HD3 ARG 70 4.211 11.263 0.070 334 HE ARG 70 HE ARG 70 5.273 11.487 2.110 335 HH11 ARG 70 HH11 ARG 70 2.965 14.088 1.687 336 HH12 ARG 70 HH12 ARG 70 3.045 14.591 3.341 337 HH21 ARG 70 HH21 ARG 70 5.379 12.161 4.284 338 HH22 ARG 70 HH22 ARG 70 4.413 13.496 4.816 339 H GLN 71 HN GLN 71 8.589 10.439 -0.017 340 HA GLN 71 HA GLN 71 10.792 11.556 -1.587 341 HB2 GLN 71 HB2 GLN 71 10.763 10.094 1.053 342 HB3 GLN 71 HB3 GLN 71 12.220 10.668 0.254 343 HG2 GLN 71 HG2 GLN 71 11.565 12.939 0.512 344 HG3 GLN 71 HG3 GLN 71 9.956 12.476 1.058 345 HE21 GLN 71 HE21 GLN 71 10.812 10.380 2.830 346 HE22 GLN 71 HE22 GLN 71 11.581 11.137 4.175 347 H TRP 72 HN TRP 72 9.259 9.647 -2.901 348 HA TRP 72 HA TRP 72 11.079 7.313 -2.989 349 HB2 TRP 72 HB2 TRP 72 8.114 7.555 -3.141 350 HB3 TRP 72 HB3 TRP 72 8.857 6.400 -4.234 351 HD1 TRP 72 HD1 TRP 72 10.764 6.533 -1.048 352 HE1 TRP 72 HE1 TRP 72 10.143 4.519 0.429 353 HE3 TRP 72 HE3 TRP 72 6.641 4.911 -3.587 354 HZ2 TRP 72 HZ2 TRP 72 8.162 2.508 0.506 355 HZ3 TRP 72 HZ3 TRP 72 5.439 2.938 -2.749 356 HH2 TRP 72 HH2 TRP 72 6.186 1.763 -0.748 357 H THR 73 HN THR 73 11.038 6.256 -5.248 358 HA THR 73 HA THR 73 10.616 8.201 -7.348 359 HB THR 73 HB THR 73 13.035 8.181 -6.810 360 HG1 THR 73 HG1 THR 73 13.258 8.571 -8.869 361 HG21 THR 73 HG21 THR 73 12.876 5.302 -7.705 362 HG22 THR 73 HG22 THR 73 13.209 5.862 -6.067 363 HG23 THR 73 HG23 THR 73 14.360 6.189 -7.363 364 H GLU 74 HN GLU 74 11.106 6.886 -9.613 365 HA GLU 74 HA GLU 74 8.916 5.262 -10.011 366 HB2 GLU 74 HB2 GLU 74 11.539 5.227 -11.514 367 HB3 GLU 74 HB3 GLU 74 10.050 4.482 -12.078 368 HG2 GLU 74 HG2 GLU 74 8.985 6.742 -11.980 369 HG3 GLU 74 HG3 GLU 74 10.582 7.408 -11.649 370 H THR 75 HN THR 75 12.225 4.231 -9.203 371 HA THR 75 HA THR 75 11.770 1.468 -9.422 372 HB THR 75 HB THR 75 13.746 2.832 -7.579 373 HG1 THR 75 HG1 THR 75 14.574 3.471 -9.425 374 HG21 THR 75 HG21 THR 75 15.041 0.762 -7.825 375 HG22 THR 75 HG22 THR 75 13.750 0.072 -8.807 376 HG23 THR 75 HG23 THR 75 13.459 0.447 -7.109 377 H HIS 76 HN HIS 76 11.681 3.596 -6.548 378 HA HIS 76 HA HIS 76 10.988 1.596 -4.694 379 HB2 HIS 76 HB2 HIS 76 10.470 4.571 -4.640 380 HB3 HIS 76 HB3 HIS 76 10.127 3.502 -3.286 381 HD1 HIS 76 HD1 HIS 76 12.367 5.903 -3.664 382 HD2 HIS 76 HD2 HIS 76 12.959 1.803 -3.345 383 HE1 HIS 76 HE1 HIS 76 14.726 5.628 -2.844 384 HE2 HIS 76 HE2 HIS 76 15.057 3.139 -2.637 385 H VAL 77 HN VAL 77 8.976 3.726 -6.676 386 HA VAL 77 HA VAL 77 6.456 3.046 -5.601 387 HB VAL 77 HB VAL 77 7.237 3.993 -8.370 388 HG11 VAL 77 HG11 VAL 77 4.505 3.617 -7.149 389 HG12 VAL 77 HG12 VAL 77 5.139 2.862 -8.611 390 HG13 VAL 77 HG13 VAL 77 4.816 4.596 -8.582 391 HG21 VAL 77 HG21 VAL 77 7.710 5.574 -6.588 392 HG22 VAL 77 HG22 VAL 77 6.068 5.399 -5.968 393 HG23 VAL 77 HG23 VAL 77 6.340 6.137 -7.547 394 H ARG 78 HN ARG 78 8.089 1.857 -8.561 395 HA ARG 78 HA ARG 78 6.164 -0.136 -9.185 396 HB2 ARG 78 HB2 ARG 78 7.620 0.728 -10.904 397 HB3 ARG 78 HB3 ARG 78 9.055 0.230 -10.020 398 HG2 ARG 78 HG2 ARG 78 7.081 -1.846 -10.835 399 HG3 ARG 78 HG3 ARG 78 8.156 -1.158 -12.053 400 HD2 ARG 78 HD2 ARG 78 9.018 -2.459 -9.471 401 HD3 ARG 78 HD3 ARG 78 9.081 -3.203 -11.066 402 HE ARG 78 HE ARG 78 10.546 -0.973 -11.409 403 HH11 ARG 78 HH11 ARG 78 10.646 -3.490 -8.976 404 HH12 ARG 78 HH12 ARG 78 12.345 -3.321 -8.696 405 HH21 ARG 78 HH21 ARG 78 12.785 -0.757 -11.039 406 HH22 ARG 78 HH22 ARG 78 13.562 -1.770 -9.868 407 H ASP 79 HN ASP 79 9.337 -0.355 -7.535 408 HA ASP 79 HA ASP 79 9.275 -3.136 -7.188 409 HB2 ASP 79 HB2 ASP 79 11.289 -1.682 -6.827 410 HB3 ASP 79 HB3 ASP 79 10.573 -1.125 -5.318 411 H TRP 80 HN TRP 80 8.076 -0.509 -5.112 412 HA TRP 80 HA TRP 80 7.285 -2.119 -2.962 413 HB2 TRP 80 HB2 TRP 80 7.321 0.177 -2.471 414 HB3 TRP 80 HB3 TRP 80 6.410 0.595 -3.917 415 HD1 TRP 80 HD1 TRP 80 5.763 -1.244 -0.553 416 HE1 TRP 80 HE1 TRP 80 3.348 -0.728 0.165 417 HE3 TRP 80 HE3 TRP 80 4.296 1.526 -4.588 418 HZ2 TRP 80 HZ2 TRP 80 1.112 0.672 -0.850 419 HZ3 TRP 80 HZ3 TRP 80 2.006 2.419 -4.637 420 HH2 TRP 80 HH2 TRP 80 0.449 1.999 -2.808 421 H VAL 81 HN VAL 81 5.122 -0.639 -5.405 422 HA VAL 81 HA VAL 81 2.830 -1.978 -5.080 423 HB VAL 81 HB VAL 81 4.196 -1.413 -7.716 424 HG11 VAL 81 HG11 VAL 81 1.926 -1.615 -8.721 425 HG12 VAL 81 HG12 VAL 81 1.366 -2.320 -7.205 426 HG13 VAL 81 HG13 VAL 81 2.599 -3.144 -8.158 427 HG21 VAL 81 HG21 VAL 81 3.687 0.552 -6.379 428 HG22 VAL 81 HG22 VAL 81 2.012 0.028 -6.216 429 HG23 VAL 81 HG23 VAL 81 2.643 0.482 -7.798 430 H MET 82 HN MET 82 5.597 -3.284 -6.912 431 HA MET 82 HA MET 82 4.506 -5.765 -7.587 432 HB2 MET 82 HB2 MET 82 6.672 -4.689 -8.408 433 HB3 MET 82 HB3 MET 82 7.417 -5.311 -6.943 434 HG2 MET 82 HG2 MET 82 7.128 -7.535 -7.601 435 HG3 MET 82 HG3 MET 82 5.952 -7.105 -8.842 436 HE1 MET 82 HE1 MET 82 7.354 -4.583 -10.205 437 HE2 MET 82 HE2 MET 82 6.577 -5.880 -11.112 438 HE3 MET 82 HE3 MET 82 8.211 -5.369 -11.531 439 H TRP 83 HN TRP 83 6.398 -4.797 -4.742 440 HA TRP 83 HA TRP 83 6.555 -7.289 -3.482 441 HB2 TRP 83 HB2 TRP 83 7.951 -5.610 -2.614 442 HB3 TRP 83 HB3 TRP 83 6.638 -4.449 -2.486 443 HD1 TRP 83 HD1 TRP 83 8.313 -7.296 -0.599 444 HE1 TRP 83 HE1 TRP 83 7.388 -7.365 1.802 445 HE3 TRP 83 HE3 TRP 83 4.515 -3.905 -1.092 446 HZ2 TRP 83 HZ2 TRP 83 5.319 -6.146 3.287 447 HZ3 TRP 83 HZ3 TRP 83 3.111 -3.415 0.867 448 HH2 TRP 83 HH2 TRP 83 3.506 -4.513 3.011 449 H ALA 84 HN ALA 84 4.009 -4.833 -3.446 450 HA ALA 84 HA ALA 84 2.438 -6.094 -1.414 451 HB1 ALA 84 HB1 ALA 84 2.270 -3.693 -1.907 452 HB2 ALA 84 HB2 ALA 84 0.706 -4.499 -2.029 453 HB3 ALA 84 HB3 ALA 84 1.595 -4.070 -3.491 454 H VAL 85 HN VAL 85 2.888 -6.641 -4.776 455 HA VAL 85 HA VAL 85 0.346 -7.941 -5.231 456 HB VAL 85 HB VAL 85 2.844 -7.794 -6.928 457 HG11 VAL 85 HG11 VAL 85 1.412 -8.668 -8.752 458 HG12 VAL 85 HG12 VAL 85 0.153 -8.995 -7.560 459 HG13 VAL 85 HG13 VAL 85 1.698 -9.839 -7.466 460 HG21 VAL 85 HG21 VAL 85 0.165 -6.450 -7.264 461 HG22 VAL 85 HG22 VAL 85 1.581 -6.248 -8.295 462 HG23 VAL 85 HG23 VAL 85 1.614 -5.675 -6.629 463 H ASN 86 HN ASN 86 3.636 -8.811 -4.387 464 HA ASN 86 HA ASN 86 3.206 -11.651 -4.707 465 HB2 ASN 86 HB2 ASN 86 5.524 -10.177 -3.434 466 HB3 ASN 86 HB3 ASN 86 5.498 -11.880 -3.883 467 HD21 ASN 86 HD21 ASN 86 7.230 -9.640 -4.746 468 HD22 ASN 86 HD22 ASN 86 7.122 -9.619 -6.470 469 H GLU 87 HN GLU 87 3.288 -9.299 -2.076 470 HA GLU 87 HA GLU 87 3.228 -11.228 0.033 471 HB2 GLU 87 HB2 GLU 87 2.556 -8.281 0.001 472 HB3 GLU 87 HB3 GLU 87 2.620 -9.261 1.458 473 HG2 GLU 87 HG2 GLU 87 4.970 -9.020 -0.385 474 HG3 GLU 87 HG3 GLU 87 4.650 -7.842 0.884 475 H PHE 88 HN PHE 88 0.776 -9.338 -1.686 476 HA PHE 88 HA PHE 88 -1.330 -10.695 -0.156 477 HB2 PHE 88 HB2 PHE 88 -1.433 -8.230 -1.893 478 HB3 PHE 88 HB3 PHE 88 -2.841 -8.963 -1.135 479 HD1 PHE 88 HD2 PHE 88 -3.173 -8.829 1.264 480 HD2 PHE 88 HD1 PHE 88 0.178 -6.985 -0.603 481 HE1 PHE 88 HE2 PHE 88 -2.776 -7.499 3.296 482 HE2 PHE 88 HE1 PHE 88 0.580 -5.652 1.423 483 HZ PHE 88 HZ PHE 88 -0.899 -5.907 3.374 484 H SER 89 HN SER 89 0.337 -11.518 -2.727 485 HA SER 89 HA SER 89 -0.024 -12.462 -4.779 486 HB2 SER 89 HB2 SER 89 -1.586 -14.380 -4.669 487 HB3 SER 89 HB3 SER 89 -0.545 -14.293 -3.248 488 HG SER 89 HG SER 89 -2.613 -14.645 -2.532 489 H LEU 90 HN LEU 90 -0.955 -10.012 -5.060 490 HA LEU 90 HA LEU 90 -3.717 -9.965 -5.819 491 HB2 LEU 90 HB2 LEU 90 -1.566 -7.900 -6.283 492 HB3 LEU 90 HB3 LEU 90 -3.287 -7.646 -6.490 493 HG LEU 90 HG LEU 90 -1.893 -8.221 -3.874 494 HD11 LEU 90 HD11 LEU 90 -2.460 -5.934 -3.301 495 HD12 LEU 90 HD12 LEU 90 -3.203 -5.701 -4.883 496 HD13 LEU 90 HD13 LEU 90 -1.465 -5.972 -4.757 497 HD21 LEU 90 HD21 LEU 90 -4.792 -7.613 -4.439 498 HD22 LEU 90 HD22 LEU 90 -4.061 -7.796 -2.844 499 HD23 LEU 90 HD23 LEU 90 -4.142 -9.175 -3.940 500 H LYS 91 HN LYS 91 -4.259 -8.954 -8.044 501 HA LYS 91 HA LYS 91 -2.502 -9.716 -10.204 502 HB2 LYS 91 HB2 LYS 91 -4.015 -11.276 -11.273 503 HB3 LYS 91 HB3 LYS 91 -3.621 -11.851 -9.661 504 HG2 LYS 91 HG2 LYS 91 -6.134 -10.307 -10.225 505 HG3 LYS 91 HG3 LYS 91 -6.036 -12.056 -10.431 506 HD2 LYS 91 HD2 LYS 91 -5.332 -12.258 -8.068 507 HD3 LYS 91 HD3 LYS 91 -5.538 -10.517 -7.883 508 HE2 LYS 91 HE2 LYS 91 -7.496 -11.626 -7.036 509 HE3 LYS 91 HE3 LYS 91 -7.917 -10.773 -8.520 510 HZ1 LYS 91 HZ1 LYS 91 -7.855 -12.829 -9.728 511 HZ2 LYS 91 HZ2 LYS 91 -8.861 -13.030 -8.384 512 HZ3 LYS 91 HZ3 LYS 91 -7.297 -13.675 -8.372 513 H GLY 92 HN GLY 92 -3.346 -9.092 -12.326 514 HA2 GLY 92 HA2 GLY 92 -4.597 -7.768 -13.766 515 HA3 GLY 92 HA1 GLY 92 -5.690 -7.409 -12.442 516 H VAL 93 HN VAL 93 -2.830 -6.674 -11.096 517 HA VAL 93 HA VAL 93 -3.181 -3.863 -11.571 518 HB VAL 93 HB VAL 93 -2.622 -4.749 -9.317 519 HG11 VAL 93 HG11 VAL 93 -1.021 -6.479 -10.056 520 HG12 VAL 93 HG12 VAL 93 -0.376 -5.438 -8.787 521 HG13 VAL 93 HG13 VAL 93 0.131 -5.203 -10.458 522 HG21 VAL 93 HG21 VAL 93 -1.005 -3.001 -8.752 523 HG22 VAL 93 HG22 VAL 93 -2.240 -2.404 -9.860 524 HG23 VAL 93 HG23 VAL 93 -0.629 -2.796 -10.462 525 H ASP 94 HN ASP 94 -2.037 -2.570 -12.871 526 HA ASP 94 HA ASP 94 0.132 -3.793 -14.427 527 HB2 ASP 94 HB2 ASP 94 -1.833 -2.906 -15.667 528 HB3 ASP 94 HB3 ASP 94 -1.471 -1.302 -15.038 529 H PHE 95 HN PHE 95 2.141 -2.904 -14.544 530 HA PHE 95 HA PHE 95 2.808 -0.956 -12.476 531 HB2 PHE 95 HB2 PHE 95 4.533 -2.699 -14.251 532 HB3 PHE 95 HB3 PHE 95 5.178 -1.546 -13.088 533 HD1 PHE 95 HD2 PHE 95 4.983 -1.940 -10.704 534 HD2 PHE 95 HD1 PHE 95 3.498 -4.757 -13.527 535 HE1 PHE 95 HE2 PHE 95 4.828 -3.633 -8.931 536 HE2 PHE 95 HE1 PHE 95 3.339 -6.455 -11.755 537 HZ PHE 95 HZ PHE 95 4.006 -5.894 -9.453 538 H GLN 96 HN GLN 96 2.534 -1.101 -15.956 539 HA GLN 96 HA GLN 96 4.153 1.113 -16.621 540 HB2 GLN 96 HB2 GLN 96 1.598 0.303 -18.021 541 HB3 GLN 96 HB3 GLN 96 2.928 1.226 -18.696 542 HG2 GLN 96 HG2 GLN 96 3.033 -1.661 -17.850 543 HG3 GLN 96 HG3 GLN 96 2.936 -1.063 -19.504 544 HE21 GLN 96 HE21 GLN 96 4.968 -2.729 -18.200 545 HE22 GLN 96 HE22 GLN 96 6.466 -1.892 -18.406 546 H LYS 97 HN LYS 97 0.929 0.853 -15.293 547 HA LYS 97 HA LYS 97 0.085 3.543 -15.695 548 HB2 LYS 97 HB2 LYS 97 -0.765 1.565 -13.570 549 HB3 LYS 97 HB3 LYS 97 -1.619 3.032 -14.022 550 HG2 LYS 97 HG2 LYS 97 -1.243 0.544 -15.660 551 HG3 LYS 97 HG3 LYS 97 -2.748 1.218 -15.040 552 HD2 LYS 97 HD2 LYS 97 -0.971 2.517 -17.106 553 HD3 LYS 97 HD3 LYS 97 -2.458 1.633 -17.450 554 HE2 LYS 97 HE2 LYS 97 -3.729 3.253 -16.133 555 HE3 LYS 97 HE3 LYS 97 -2.242 4.126 -15.764 556 HZ1 LYS 97 HZ1 LYS 97 -3.447 5.178 -17.566 557 HZ2 LYS 97 HZ2 LYS 97 -3.404 3.751 -18.472 558 HZ3 LYS 97 HZ3 LYS 97 -1.968 4.576 -18.127 559 H PHE 98 HN PHE 98 1.940 1.905 -13.171 560 HA PHE 98 HA PHE 98 2.095 4.405 -11.638 561 HB2 PHE 98 HB2 PHE 98 2.914 1.590 -10.880 562 HB3 PHE 98 HB3 PHE 98 3.059 3.000 -9.837 563 HD1 PHE 98 HD1 PHE 98 0.649 4.390 -9.881 564 HD2 PHE 98 HD2 PHE 98 1.227 0.191 -10.262 565 HE1 PHE 98 HE1 PHE 98 -1.630 4.004 -9.042 566 HE2 PHE 98 HE2 PHE 98 -1.052 -0.203 -9.428 567 HZ PHE 98 HZ PHE 98 -2.484 1.707 -8.816 568 H CYS 99 HN CYS 99 3.542 4.069 -14.156 569 HA CYS 99 HA CYS 99 6.311 3.644 -13.420 570 HB2 CYS 99 HB2 CYS 99 5.409 2.952 -15.644 571 HB3 CYS 99 HB3 CYS 99 5.170 4.651 -16.039 572 HG CYS 99 HG CYS 99 8.196 4.705 -15.227 573 H MET 100 HN MET 100 6.003 5.395 -11.739 574 HA MET 100 HA MET 100 7.228 7.823 -12.715 575 HB2 MET 100 HB2 MET 100 5.558 9.363 -11.978 576 HB3 MET 100 HB3 MET 100 4.733 8.183 -12.986 577 HG2 MET 100 HG2 MET 100 4.163 6.987 -10.797 578 HG3 MET 100 HG3 MET 100 4.654 8.484 -10.008 579 HE1 MET 100 HE1 MET 100 0.996 7.910 -12.740 580 HE2 MET 100 HE2 MET 100 1.989 6.619 -12.063 581 HE3 MET 100 HE3 MET 100 2.636 7.654 -13.338 582 H SER 101 HN SER 101 7.666 9.347 -10.829 583 HA SER 101 HA SER 101 8.898 7.818 -8.734 584 HB2 SER 101 HB2 SER 101 8.628 10.817 -9.142 585 HB3 SER 101 HB3 SER 101 9.584 10.069 -7.862 586 HG SER 101 HG SER 101 10.993 9.313 -9.334 587 H GLY 102 HN GLY 102 8.610 8.303 -6.431 588 HA2 GLY 102 HA2 GLY 102 6.023 7.781 -5.552 589 HA3 GLY 102 HA1 GLY 102 7.332 8.355 -4.533 590 H ALA 103 HN ALA 103 7.772 10.888 -5.593 591 HA ALA 103 HA ALA 103 5.911 12.468 -4.279 592 HB1 ALA 103 HB1 ALA 103 7.679 13.239 -6.601 593 HB2 ALA 103 HB2 ALA 103 8.127 13.266 -4.896 594 HB3 ALA 103 HB3 ALA 103 6.884 14.362 -5.498 595 H ALA 104 HN ALA 104 5.991 11.435 -7.661 596 HA ALA 104 HA ALA 104 3.762 13.024 -8.497 597 HB1 ALA 104 HB1 ALA 104 5.485 12.185 -10.058 598 HB2 ALA 104 HB2 ALA 104 3.851 11.736 -10.546 599 HB3 ALA 104 HB3 ALA 104 4.904 10.542 -9.787 600 H LEU 105 HN LEU 105 4.202 9.630 -7.552 601 HA LEU 105 HA LEU 105 1.634 8.666 -8.015 602 HB2 LEU 105 HB2 LEU 105 3.755 7.406 -7.347 603 HB3 LEU 105 HB3 LEU 105 3.364 7.838 -5.695 604 HG LEU 105 HG LEU 105 1.155 6.666 -6.016 605 HD11 LEU 105 HD11 LEU 105 2.517 5.669 -8.513 606 HD12 LEU 105 HD12 LEU 105 1.081 6.691 -8.445 607 HD13 LEU 105 HD13 LEU 105 1.015 5.036 -7.838 608 HD21 LEU 105 HD21 LEU 105 2.161 4.404 -5.799 609 HD22 LEU 105 HD22 LEU 105 2.920 5.617 -4.768 610 HD23 LEU 105 HD23 LEU 105 3.718 5.098 -6.252 611 H CYS 106 HN CYS 106 2.958 10.144 -5.051 612 HA CYS 106 HA CYS 106 0.551 9.953 -3.566 613 HB2 CYS 106 HB2 CYS 106 2.749 10.245 -2.498 614 HB3 CYS 106 HB3 CYS 106 2.879 11.853 -3.202 615 HG CYS 106 HG CYS 106 1.690 13.093 -1.300 616 H ALA 107 HN ALA 107 1.931 12.466 -5.628 617 HA ALA 107 HA ALA 107 0.062 14.506 -5.059 618 HB1 ALA 107 HB1 ALA 107 2.212 14.926 -6.149 619 HB2 ALA 107 HB2 ALA 107 0.868 15.571 -7.088 620 HB3 ALA 107 HB3 ALA 107 1.650 14.070 -7.584 621 H LEU 108 HN LEU 108 -0.151 11.671 -7.065 622 HA LEU 108 HA LEU 108 -2.209 12.537 -8.801 623 HB2 LEU 108 HB2 LEU 108 -1.204 9.840 -7.967 624 HB3 LEU 108 HB3 LEU 108 -2.613 9.991 -8.995 625 HG LEU 108 HG LEU 108 0.157 11.001 -9.645 626 HD11 LEU 108 HD11 LEU 108 0.043 8.593 -9.750 627 HD12 LEU 108 HD12 LEU 108 0.084 9.253 -11.385 628 HD13 LEU 108 HD13 LEU 108 -1.437 8.674 -10.705 629 HD21 LEU 108 HD21 LEU 108 -0.792 11.443 -11.880 630 HD22 LEU 108 HD22 LEU 108 -1.519 12.445 -10.624 631 HD23 LEU 108 HD23 LEU 108 -2.394 11.050 -11.256 632 H GLY 109 HN GLY 109 -2.245 11.243 -5.543 633 HA2 GLY 109 HA2 GLY 109 -3.972 11.230 -4.012 634 HA3 GLY 109 HA1 GLY 109 -5.013 11.938 -5.236 635 H LYS 110 HN LYS 110 -6.181 10.152 -3.675 636 HA LYS 110 HA LYS 110 -5.991 7.446 -4.342 637 HB2 LYS 110 HB2 LYS 110 -7.221 8.269 -2.385 638 HB3 LYS 110 HB3 LYS 110 -8.431 8.988 -3.439 639 HG2 LYS 110 HG2 LYS 110 -9.148 6.829 -4.192 640 HG3 LYS 110 HG3 LYS 110 -7.826 6.041 -3.331 641 HD2 LYS 110 HD2 LYS 110 -9.808 5.762 -2.029 642 HD3 LYS 110 HD3 LYS 110 -8.784 6.939 -1.204 643 HE2 LYS 110 HE2 LYS 110 -10.117 8.760 -2.168 644 HE3 LYS 110 HE3 LYS 110 -11.149 7.574 -2.968 645 HZ1 LYS 110 HZ1 LYS 110 -10.805 7.867 -0.031 646 HZ2 LYS 110 HZ2 LYS 110 -11.795 6.729 -0.796 647 HZ3 LYS 110 HZ3 LYS 110 -12.148 8.377 -0.924 648 H GLU 111 HN GLU 111 -8.096 9.970 -5.712 649 HA GLU 111 HA GLU 111 -9.652 8.513 -7.455 650 HB2 GLU 111 HB2 GLU 111 -10.006 10.867 -7.154 651 HB3 GLU 111 HB3 GLU 111 -8.415 11.251 -7.796 652 HG2 GLU 111 HG2 GLU 111 -9.099 10.437 -9.990 653 HG3 GLU 111 HG3 GLU 111 -10.694 10.047 -9.350 654 H CYS 112 HN CYS 112 -6.634 10.163 -8.477 655 HA CYS 112 HA CYS 112 -6.502 8.892 -10.972 656 HB2 CYS 112 HB2 CYS 112 -4.340 10.185 -9.315 657 HB3 CYS 112 HB3 CYS 112 -4.114 9.656 -10.977 658 HG CYS 112 HG CYS 112 -6.191 12.142 -9.881 659 H PHE 113 HN PHE 113 -5.027 8.006 -7.853 660 HA PHE 113 HA PHE 113 -3.372 5.953 -8.793 661 HB2 PHE 113 HB2 PHE 113 -3.358 6.998 -6.488 662 HB3 PHE 113 HB3 PHE 113 -4.753 5.995 -6.107 663 HD1 PHE 113 HD2 PHE 113 -4.525 3.544 -6.021 664 HD2 PHE 113 HD1 PHE 113 -1.167 6.097 -6.571 665 HE1 PHE 113 HE2 PHE 113 -3.026 1.696 -5.404 666 HE2 PHE 113 HE1 PHE 113 0.340 4.251 -5.951 667 HZ PHE 113 HZ PHE 113 -0.588 2.048 -5.370 668 H LEU 114 HN LEU 114 -6.725 5.829 -7.589 669 HA LEU 114 HA LEU 114 -7.034 3.041 -7.888 670 HB2 LEU 114 HB2 LEU 114 -8.849 5.347 -7.465 671 HB3 LEU 114 HB3 LEU 114 -9.573 3.885 -8.106 672 HG LEU 114 HG LEU 114 -8.863 2.618 -6.171 673 HD11 LEU 114 HD11 LEU 114 -7.715 3.655 -4.294 674 HD12 LEU 114 HD12 LEU 114 -7.600 5.171 -5.185 675 HD13 LEU 114 HD13 LEU 114 -6.733 3.746 -5.755 676 HD21 LEU 114 HD21 LEU 114 -10.977 3.834 -6.029 677 HD22 LEU 114 HD22 LEU 114 -10.133 5.228 -5.357 678 HD23 LEU 114 HD23 LEU 114 -10.195 3.716 -4.453 679 H GLU 115 HN GLU 115 -7.307 5.694 -10.144 680 HA GLU 115 HA GLU 115 -8.659 4.229 -12.192 681 HB2 GLU 115 HB2 GLU 115 -7.025 6.766 -12.249 682 HB3 GLU 115 HB3 GLU 115 -7.821 6.102 -13.669 683 HG2 GLU 115 HG2 GLU 115 -9.981 6.350 -12.622 684 HG3 GLU 115 HG3 GLU 115 -9.226 6.905 -11.131 685 H LEU 116 HN LEU 116 -5.392 4.346 -11.086 686 HA LEU 116 HA LEU 116 -4.236 3.372 -13.564 687 HB2 LEU 116 HB2 LEU 116 -3.018 3.774 -10.832 688 HB3 LEU 116 HB3 LEU 116 -2.128 3.333 -12.274 689 HG LEU 116 HG LEU 116 -3.676 5.904 -11.990 690 HD11 LEU 116 HD11 LEU 116 -1.482 6.970 -11.664 691 HD12 LEU 116 HD12 LEU 116 -0.740 5.372 -11.567 692 HD13 LEU 116 HD13 LEU 116 -1.906 5.879 -10.344 693 HD21 LEU 116 HD21 LEU 116 -1.601 4.999 -13.978 694 HD22 LEU 116 HD22 LEU 116 -2.332 6.601 -13.913 695 HD23 LEU 116 HD23 LEU 116 -3.326 5.193 -14.287 696 H ALA 117 HN ALA 117 -5.166 2.107 -10.409 697 HA ALA 117 HA ALA 117 -4.286 -0.583 -11.252 698 HB1 ALA 117 HB1 ALA 117 -4.428 -1.094 -8.764 699 HB2 ALA 117 HB2 ALA 117 -4.534 0.649 -8.525 700 HB3 ALA 117 HB3 ALA 117 -3.112 -0.053 -9.296 701 HA PRO 118 HA PRO 118 -8.359 -2.242 -11.352 702 HB2 PRO 118 HB2 PRO 118 -8.096 -4.450 -9.665 703 HB3 PRO 118 HB3 PRO 118 -7.747 -4.415 -11.393 704 HG2 PRO 118 HG2 PRO 118 -5.893 -4.222 -9.081 705 HG3 PRO 118 HG3 PRO 118 -5.643 -4.971 -10.666 706 HD2 PRO 118 HD2 PRO 118 -4.547 -2.597 -10.017 707 HD3 PRO 118 HD3 PRO 118 -5.083 -2.968 -11.667 708 H ASP 119 HN ASP 119 -10.181 -3.021 -9.982 709 HA ASP 119 HA ASP 119 -10.913 -1.108 -8.091 710 HB2 ASP 119 HB2 ASP 119 -12.464 -2.407 -9.505 711 HB3 ASP 119 HB3 ASP 119 -12.133 -3.821 -8.512 712 H PHE 120 HN PHE 120 -9.043 -3.958 -7.539 713 HA PHE 120 HA PHE 120 -9.786 -3.772 -4.724 714 HB2 PHE 120 HB2 PHE 120 -8.805 -6.143 -4.485 715 HB3 PHE 120 HB3 PHE 120 -10.358 -5.967 -5.290 716 HD1 PHE 120 HD1 PHE 120 -10.444 -6.059 -7.794 717 HD2 PHE 120 HD2 PHE 120 -6.960 -7.096 -5.581 718 HE1 PHE 120 HE1 PHE 120 -9.576 -7.283 -9.743 719 HE2 PHE 120 HE2 PHE 120 -6.085 -8.319 -7.526 720 HZ PHE 120 HZ PHE 120 -7.394 -8.415 -9.610 721 H VAL 121 HN VAL 121 -6.899 -4.396 -6.737 722 HA VAL 121 HA VAL 121 -5.062 -4.221 -4.599 723 HB VAL 121 HB VAL 121 -3.317 -4.131 -6.163 724 HG11 VAL 121 HG11 VAL 121 -3.817 -5.858 -7.761 725 HG12 VAL 121 HG12 VAL 121 -5.545 -5.543 -7.616 726 HG13 VAL 121 HG13 VAL 121 -4.653 -6.207 -6.248 727 HG21 VAL 121 HG21 VAL 121 -3.752 -2.251 -7.463 728 HG22 VAL 121 HG22 VAL 121 -5.307 -2.875 -8.011 729 HG23 VAL 121 HG23 VAL 121 -3.809 -3.589 -8.609 730 H GLY 122 HN GLY 122 -6.522 -1.745 -6.641 731 HA2 GLY 122 HA2 GLY 122 -4.865 0.419 -6.129 732 HA3 GLY 122 HA1 GLY 122 -6.592 0.539 -6.427 733 H ASP 123 HN ASP 123 -7.491 -0.864 -4.124 734 HA ASP 123 HA ASP 123 -7.456 1.231 -2.214 735 HB2 ASP 123 HB2 ASP 123 -9.353 -0.363 -2.548 736 HB3 ASP 123 HB3 ASP 123 -8.370 -1.619 -1.801 737 H ILE 124 HN ILE 124 -6.013 -2.021 -2.235 738 HA ILE 124 HA ILE 124 -4.835 -1.979 0.288 739 HB ILE 124 HB ILE 124 -3.753 -3.317 -2.192 740 HG12 ILE 124 HG12 ILE 124 -5.622 -4.386 -0.065 741 HG13 ILE 124 HG13 ILE 124 -6.084 -3.955 -1.709 742 HG21 ILE 124 HG21 ILE 124 -3.248 -3.880 0.726 743 HG22 ILE 124 HG22 ILE 124 -2.096 -3.206 -0.428 744 HG23 ILE 124 HG23 ILE 124 -2.670 -4.862 -0.619 745 HD11 ILE 124 HD11 ILE 124 -4.553 -5.688 -2.554 746 HD12 ILE 124 HD12 ILE 124 -5.840 -6.335 -1.533 747 HD13 ILE 124 HD13 ILE 124 -4.207 -6.155 -0.888 748 H LEU 125 HN LEU 125 -3.327 -1.216 -2.837 749 HA LEU 125 HA LEU 125 -0.826 -0.460 -1.845 750 HB2 LEU 125 HB2 LEU 125 -2.243 0.498 -4.345 751 HB3 LEU 125 HB3 LEU 125 -0.537 0.715 -4.014 752 HG LEU 125 HG LEU 125 -1.920 -1.946 -4.349 753 HD11 LEU 125 HD11 LEU 125 -0.078 -0.456 -6.211 754 HD12 LEU 125 HD12 LEU 125 -1.810 -0.693 -6.439 755 HD13 LEU 125 HD13 LEU 125 -0.720 -2.078 -6.466 756 HD21 LEU 125 HD21 LEU 125 0.984 -1.233 -3.975 757 HD22 LEU 125 HD22 LEU 125 0.387 -2.831 -4.424 758 HD23 LEU 125 HD23 LEU 125 -0.037 -2.139 -2.858 759 H TRP 126 HN TRP 126 -3.460 1.792 -2.894 760 HA TRP 126 HA TRP 126 -2.081 4.076 -1.940 761 HB2 TRP 126 HB2 TRP 126 -3.719 4.853 -3.335 762 HB3 TRP 126 HB3 TRP 126 -4.792 3.499 -3.006 763 HD1 TRP 126 HD1 TRP 126 -4.211 7.107 -2.105 764 HE1 TRP 126 HE1 TRP 126 -6.018 7.892 -0.451 765 HE3 TRP 126 HE3 TRP 126 -6.310 2.586 -1.000 766 HZ2 TRP 126 HZ2 TRP 126 -8.066 6.740 1.121 767 HZ3 TRP 126 HZ3 TRP 126 -8.184 2.509 0.589 768 HH2 TRP 126 HH2 TRP 126 -9.042 4.542 1.628 769 H GLU 127 HN GLU 127 -4.119 1.782 -0.203 770 HA GLU 127 HA GLU 127 -4.590 3.511 2.029 771 HB2 GLU 127 HB2 GLU 127 -5.888 1.400 1.520 772 HB3 GLU 127 HB3 GLU 127 -4.500 0.478 2.082 773 HG2 GLU 127 HG2 GLU 127 -6.179 0.670 3.820 774 HG3 GLU 127 HG3 GLU 127 -4.698 1.506 4.285 775 H HIS 128 HN HIS 128 -2.245 0.851 1.495 776 HA HIS 128 HA HIS 128 -0.798 1.319 3.891 777 HB2 HIS 128 HB2 HIS 128 -0.732 -0.826 2.643 778 HB3 HIS 128 HB3 HIS 128 0.134 -0.021 1.342 779 HD1 HIS 128 HD1 HIS 128 2.164 -1.587 1.640 780 HD2 HIS 128 HD2 HIS 128 1.265 0.678 5.005 781 HE1 HIS 128 HE1 HIS 128 4.160 -1.808 3.148 782 HE2 HIS 128 HE2 HIS 128 3.552 -0.512 5.222 783 H LEU 129 HN LEU 129 -0.567 2.537 0.611 784 HA LEU 129 HA LEU 129 1.944 3.828 0.795 785 HB2 LEU 129 HB2 LEU 129 0.635 3.348 -1.305 786 HB3 LEU 129 HB3 LEU 129 -0.440 4.660 -0.872 787 HG LEU 129 HG LEU 129 1.520 6.212 -0.967 788 HD11 LEU 129 HD11 LEU 129 2.903 3.794 -2.118 789 HD12 LEU 129 HD12 LEU 129 3.300 4.606 -0.604 790 HD13 LEU 129 HD13 LEU 129 3.533 5.440 -2.139 791 HD21 LEU 129 HD21 LEU 129 -0.046 5.997 -2.829 792 HD22 LEU 129 HD22 LEU 129 0.915 4.672 -3.488 793 HD23 LEU 129 HD23 LEU 129 1.594 6.299 -3.403 794 H GLU 130 HN GLU 130 -1.368 4.841 1.545 795 HA GLU 130 HA GLU 130 -0.763 7.522 2.118 796 HB2 GLU 130 HB2 GLU 130 -3.051 6.647 1.640 797 HB3 GLU 130 HB3 GLU 130 -3.039 5.884 3.224 798 HG2 GLU 130 HG2 GLU 130 -2.802 8.113 4.254 799 HG3 GLU 130 HG3 GLU 130 -2.927 8.833 2.649 800 H ILE 131 HN ILE 131 -0.576 4.584 3.951 801 HA ILE 131 HA ILE 131 -0.353 5.706 6.536 802 HB ILE 131 HB ILE 131 0.437 3.057 5.351 803 HG12 ILE 131 HG12 ILE 131 -1.532 3.718 7.543 804 HG13 ILE 131 HG13 ILE 131 -1.966 3.641 5.839 805 HG21 ILE 131 HG21 ILE 131 2.124 3.415 6.992 806 HG22 ILE 131 HG22 ILE 131 0.945 2.289 7.664 807 HG23 ILE 131 HG23 ILE 131 0.938 3.980 8.169 808 HD11 ILE 131 HD11 ILE 131 -2.548 1.585 6.974 809 HD12 ILE 131 HD12 ILE 131 -0.875 1.378 7.495 810 HD13 ILE 131 HD13 ILE 131 -1.282 1.295 5.781 811 H LEU 132 HN LEU 132 1.966 4.993 3.989 812 HA LEU 132 HA LEU 132 4.327 5.439 5.499 813 HB2 LEU 132 HB2 LEU 132 3.839 5.630 2.530 814 HB3 LEU 132 HB3 LEU 132 5.421 5.647 3.285 815 HG LEU 132 HG LEU 132 3.464 3.346 3.380 816 HD11 LEU 132 HD11 LEU 132 5.043 2.215 1.907 817 HD12 LEU 132 HD12 LEU 132 6.036 3.671 1.842 818 HD13 LEU 132 HD13 LEU 132 4.412 3.681 1.155 819 HD21 LEU 132 HD21 LEU 132 4.878 3.493 5.380 820 HD22 LEU 132 HD22 LEU 132 6.314 3.531 4.356 821 HD23 LEU 132 HD23 LEU 132 5.290 2.095 4.388 822 H GLN 133 HN GLN 133 2.326 7.572 3.471 823 HA GLN 133 HA GLN 133 4.054 9.816 3.619 824 HB2 GLN 133 HB2 GLN 133 2.063 11.124 2.865 825 HB3 GLN 133 HB3 GLN 133 2.517 9.785 1.827 826 HG2 GLN 133 HG2 GLN 133 0.725 8.434 2.824 827 HG3 GLN 133 HG3 GLN 133 0.255 9.820 3.805 828 HE21 GLN 133 HE21 GLN 133 0.382 8.493 0.584 829 HE22 GLN 133 HE22 GLN 133 -0.734 9.602 -0.129 830 H LYS 134 HN LYS 134 1.117 8.967 5.452 831 HA LYS 134 HA LYS 134 0.987 11.277 7.019 832 HB2 LYS 134 HB2 LYS 134 -0.371 9.950 8.578 833 HB3 LYS 134 HB3 LYS 134 -0.853 9.692 6.907 834 HG2 LYS 134 HG2 LYS 134 0.299 7.576 6.858 835 HG3 LYS 134 HG3 LYS 134 0.925 7.845 8.483 836 HD2 LYS 134 HD2 LYS 134 -0.948 6.353 8.630 837 HD3 LYS 134 HD3 LYS 134 -1.420 7.910 9.311 838 HE2 LYS 134 HE2 LYS 134 -2.544 8.490 7.223 839 HE3 LYS 134 HE3 LYS 134 -2.057 6.946 6.524 840 HZ1 LYS 134 HZ1 LYS 134 -4.339 6.896 7.329 841 HZ2 LYS 134 HZ2 LYS 134 -3.821 7.282 8.892 842 HZ3 LYS 134 HZ3 LYS 134 -3.372 5.808 8.193 843 H GLU 135 HN GLU 135 3.188 8.617 7.195 844 HA GLU 135 HA GLU 135 3.935 8.580 9.856 845 HB2 GLU 135 HB2 GLU 135 4.749 7.039 8.062 846 HB3 GLU 135 HB3 GLU 135 5.806 8.324 7.498 847 HG2 GLU 135 HG2 GLU 135 6.957 8.321 9.657 848 HG3 GLU 135 HG3 GLU 135 5.905 7.019 10.208 849 H ASP 136 HN ASP 136 5.015 10.769 7.289 850 HA ASP 136 HA ASP 136 6.077 12.567 9.357 851 HB2 ASP 136 HB2 ASP 136 7.961 13.136 7.807 852 HB3 ASP 136 HB3 ASP 136 8.015 11.487 8.418 853 H VAL 137 HN VAL 137 6.836 14.698 7.856 854 HA VAL 137 HA VAL 137 4.278 15.622 6.786 855 HB VAL 137 HB VAL 137 6.757 17.209 7.476 856 HG11 VAL 137 HG11 VAL 137 3.980 18.115 6.719 857 HG12 VAL 137 HG12 VAL 137 5.456 18.338 5.778 858 HG13 VAL 137 HG13 VAL 137 5.261 19.167 7.322 859 HG21 VAL 137 HG21 VAL 137 5.744 16.219 9.452 860 HG22 VAL 137 HG22 VAL 137 4.169 16.861 8.986 861 HG23 VAL 137 HG23 VAL 137 5.474 17.961 9.430 862 H LYS 138 HN LYS 138 7.733 15.845 5.893 863 HA LYS 138 HA LYS 138 6.969 16.419 3.134 864 HB2 LYS 138 HB2 LYS 138 9.689 16.385 4.458 865 HB3 LYS 138 HB3 LYS 138 9.385 16.848 2.790 866 HG2 LYS 138 HG2 LYS 138 8.263 18.252 5.209 867 HG3 LYS 138 HG3 LYS 138 9.670 18.778 4.286 868 HD2 LYS 138 HD2 LYS 138 6.905 18.435 3.126 869 HD3 LYS 138 HD3 LYS 138 7.564 19.971 3.692 870 HE2 LYS 138 HE2 LYS 138 9.372 19.802 2.055 871 HE3 LYS 138 HE3 LYS 138 8.731 18.257 1.500 872 HZ1 LYS 138 HZ1 LYS 138 6.719 19.377 0.787 873 HZ2 LYS 138 HZ2 LYS 138 8.070 20.079 0.052 874 HZ3 LYS 138 HZ3 LYS 138 7.311 20.862 1.345 Start of MODEL 16 1 H HIS 28 H1 HIS 28 10.127 18.126 11.506 2 HA HIS 28 HA HIS 28 8.766 17.562 9.561 3 HB2 HIS 28 HB2 HIS 28 8.078 19.287 8.023 4 HB3 HIS 28 HB3 HIS 28 7.428 19.666 9.612 5 HD1 HIS 28 HD1 HIS 28 9.939 20.842 7.093 6 HD2 HIS 28 HD2 HIS 28 8.388 22.020 10.764 7 HE1 HIS 28 HE1 HIS 28 10.744 23.199 7.438 8 HE2 HIS 28 HE2 HIS 28 9.712 23.923 9.619 9 H MET 29 HN MET 29 11.366 19.885 10.081 10 HA MET 29 HA MET 29 13.475 20.028 9.280 11 HB2 MET 29 HB2 MET 29 12.826 17.250 8.306 12 HB3 MET 29 HB3 MET 29 14.368 18.014 7.958 13 HG2 MET 29 HG2 MET 29 14.665 16.634 9.856 14 HG3 MET 29 HG3 MET 29 14.695 18.305 10.412 15 HE1 MET 29 HE1 MET 29 11.160 15.398 11.015 16 HE2 MET 29 HE2 MET 29 12.719 14.928 10.336 17 HE3 MET 29 HE3 MET 29 11.647 15.995 9.430 18 H GLU 30 HN GLU 30 12.186 18.177 6.529 19 HA GLU 30 HA GLU 30 12.569 20.574 4.855 20 HB2 GLU 30 HB2 GLU 30 12.872 17.655 4.116 21 HB3 GLU 30 HB3 GLU 30 12.967 18.987 2.973 22 HG2 GLU 30 HG2 GLU 30 14.817 18.535 5.306 23 HG3 GLU 30 HG3 GLU 30 15.174 18.182 3.617 24 H CYS 31 HN CYS 31 10.759 17.494 4.900 25 HA CYS 31 HA CYS 31 8.569 18.767 3.445 26 HB2 CYS 31 HB2 CYS 31 8.968 15.875 4.246 27 HB3 CYS 31 HB3 CYS 31 7.663 16.485 3.235 28 HG CYS 31 HG CYS 31 10.987 16.516 2.412 29 H ALA 32 HN ALA 32 6.666 19.295 4.342 30 HA ALA 32 HA ALA 32 6.346 19.599 7.086 31 HB1 ALA 32 HB1 ALA 32 3.990 20.075 6.600 32 HB2 ALA 32 HB2 ALA 32 4.202 19.430 4.972 33 HB3 ALA 32 HB3 ALA 32 5.072 20.884 5.466 34 H ASP 33 HN ASP 33 5.209 18.506 8.670 35 HA ASP 33 HA ASP 33 5.274 15.697 8.605 36 HB2 ASP 33 HB2 ASP 33 3.686 17.453 10.493 37 HB3 ASP 33 HB3 ASP 33 4.153 15.779 10.771 38 H VAL 34 HN VAL 34 4.020 14.442 7.391 39 HA VAL 34 HA VAL 34 1.497 15.253 6.356 40 HB VAL 34 HB VAL 34 2.718 12.487 6.427 41 HG11 VAL 34 HG11 VAL 34 0.472 13.603 4.749 42 HG12 VAL 34 HG12 VAL 34 0.328 12.387 6.019 43 HG13 VAL 34 HG13 VAL 34 1.212 12.015 4.539 44 HG21 VAL 34 HG21 VAL 34 2.819 14.629 4.304 45 HG22 VAL 34 HG22 VAL 34 3.410 12.978 4.114 46 HG23 VAL 34 HG23 VAL 34 4.170 14.056 5.284 47 HA PRO 35 HA PRO 35 -0.758 13.778 9.968 48 HB2 PRO 35 HB2 PRO 35 -2.850 15.415 9.731 49 HB3 PRO 35 HB3 PRO 35 -1.270 16.024 10.238 50 HG2 PRO 35 HG2 PRO 35 -2.647 16.284 7.617 51 HG3 PRO 35 HG3 PRO 35 -1.538 17.405 8.421 52 HD2 PRO 35 HD2 PRO 35 -0.907 15.551 6.372 53 HD3 PRO 35 HD3 PRO 35 0.233 16.521 7.323 54 H LEU 36 HN LEU 36 -2.158 12.112 10.127 55 HA LEU 36 HA LEU 36 -4.360 11.782 8.305 56 HB2 LEU 36 HB2 LEU 36 -2.448 10.823 7.038 57 HB3 LEU 36 HB3 LEU 36 -2.195 9.680 8.344 58 HG LEU 36 HG LEU 36 -4.592 8.897 7.911 59 HD11 LEU 36 HD11 LEU 36 -4.114 10.405 5.345 60 HD12 LEU 36 HD12 LEU 36 -5.319 10.795 6.573 61 HD13 LEU 36 HD13 LEU 36 -5.448 9.293 5.658 62 HD21 LEU 36 HD21 LEU 36 -2.284 8.464 6.050 63 HD22 LEU 36 HD22 LEU 36 -3.811 7.610 5.829 64 HD23 LEU 36 HD23 LEU 36 -2.899 7.411 7.324 65 H LEU 37 HN LEU 37 -2.411 9.600 10.339 66 HA LEU 37 HA LEU 37 -4.381 9.536 12.420 67 HB2 LEU 37 HB2 LEU 37 -5.401 8.069 10.688 68 HB3 LEU 37 HB3 LEU 37 -3.989 7.035 10.772 69 HG LEU 37 HG LEU 37 -4.531 6.672 13.215 70 HD11 LEU 37 HD11 LEU 37 -7.134 7.954 12.399 71 HD12 LEU 37 HD12 LEU 37 -5.962 8.614 13.541 72 HD13 LEU 37 HD13 LEU 37 -6.824 7.123 13.923 73 HD21 LEU 37 HD21 LEU 37 -6.308 5.041 12.731 74 HD22 LEU 37 HD22 LEU 37 -5.005 4.985 11.543 75 HD23 LEU 37 HD23 LEU 37 -6.530 5.775 11.143 76 H TPO 38 HN TPO 38 -2.444 10.184 13.533 77 HA TPO 38 HA TPO 38 -0.839 7.875 14.344 78 HB TPO 38 HB TPO 38 0.405 9.194 12.609 79 HG21 TPO 38 HG21 TPO 38 0.780 11.376 12.734 80 HG22 TPO 38 HG22 TPO 38 1.304 11.260 14.415 81 HG23 TPO 38 HG23 TPO 38 -0.411 11.430 14.034 82 HA PRO 39 HA PRO 39 -2.400 10.567 17.877 83 HB2 PRO 39 HB2 PRO 39 -4.036 8.759 19.032 84 HB3 PRO 39 HB3 PRO 39 -4.571 9.807 17.713 85 HG2 PRO 39 HG2 PRO 39 -3.678 6.949 17.616 86 HG3 PRO 39 HG3 PRO 39 -5.057 7.717 16.807 87 HD2 PRO 39 HD2 PRO 39 -2.702 7.205 15.552 88 HD3 PRO 39 HD3 PRO 39 -3.752 8.567 15.117 89 H SER 40 HN SER 40 -2.469 9.791 20.312 90 HA SER 40 HA SER 40 0.007 8.286 20.746 91 HB2 SER 40 HB2 SER 40 -0.101 10.527 21.741 92 HB3 SER 40 HB3 SER 40 -1.548 10.071 22.637 93 HG SER 40 HG SER 40 1.115 9.287 23.023 94 H SEP 41 HN SEP 41 -2.881 8.652 22.805 95 HA SEP 41 HA SEP 41 -2.687 6.016 23.822 96 HB2 SEP 41 HB2 SEP 41 -4.193 8.343 24.410 97 HB3 SEP 41 HB3 SEP 41 -5.352 7.035 24.149 98 H LYS 42 HN LYS 42 -4.500 7.432 21.175 99 HA LYS 42 HA LYS 42 -6.178 5.147 20.734 100 HB2 LYS 42 HB2 LYS 42 -5.555 7.547 19.011 101 HB3 LYS 42 HB3 LYS 42 -6.743 6.319 18.599 102 HG2 LYS 42 HG2 LYS 42 -8.028 6.875 20.592 103 HG3 LYS 42 HG3 LYS 42 -6.822 8.085 21.037 104 HD2 LYS 42 HD2 LYS 42 -8.711 9.166 19.982 105 HD3 LYS 42 HD3 LYS 42 -7.296 9.289 18.936 106 HE2 LYS 42 HE2 LYS 42 -8.127 7.378 17.625 107 HE3 LYS 42 HE3 LYS 42 -9.556 7.309 18.654 108 HZ1 LYS 42 HZ1 LYS 42 -8.772 9.595 16.924 109 HZ2 LYS 42 HZ2 LYS 42 -10.138 9.543 17.921 110 HZ3 LYS 42 HZ3 LYS 42 -10.013 8.489 16.604 111 H GLU 43 HN GLU 43 -2.938 5.926 19.913 112 HA GLU 43 HA GLU 43 -2.595 4.667 17.449 113 HB2 GLU 43 HB2 GLU 43 -0.945 6.080 18.854 114 HB3 GLU 43 HB3 GLU 43 -0.503 4.552 19.600 115 HG2 GLU 43 HG2 GLU 43 1.057 4.935 17.878 116 HG3 GLU 43 HG3 GLU 43 -0.030 3.678 17.295 117 H MET 44 HN MET 44 -3.140 3.258 20.573 118 HA MET 44 HA MET 44 -1.907 0.773 20.292 119 HB2 MET 44 HB2 MET 44 -3.660 -0.053 21.892 120 HB3 MET 44 HB3 MET 44 -2.784 1.373 22.424 121 HG2 MET 44 HG2 MET 44 -4.978 1.834 22.988 122 HG3 MET 44 HG3 MET 44 -4.753 2.703 21.473 123 HE1 MET 44 HE1 MET 44 -7.681 2.458 22.213 124 HE2 MET 44 HE2 MET 44 -8.334 1.836 20.697 125 HE3 MET 44 HE3 MET 44 -7.032 3.027 20.675 126 H MET 45 HN MET 45 -4.884 1.974 18.886 127 HA MET 45 HA MET 45 -5.884 -0.562 18.051 128 HB2 MET 45 HB2 MET 45 -7.394 1.315 18.324 129 HB3 MET 45 HB3 MET 45 -6.509 2.250 17.128 130 HG2 MET 45 HG2 MET 45 -7.759 -0.358 16.384 131 HG3 MET 45 HG3 MET 45 -8.729 1.110 16.471 132 HE1 MET 45 HE1 MET 45 -9.391 0.681 13.918 133 HE2 MET 45 HE2 MET 45 -8.333 -0.727 13.816 134 HE3 MET 45 HE3 MET 45 -8.216 0.553 12.609 135 H SER 46 HN SER 46 -3.912 1.956 16.528 136 HA SER 46 HA SER 46 -3.888 0.771 13.947 137 HB2 SER 46 HB2 SER 46 -3.391 3.172 14.358 138 HB3 SER 46 HB3 SER 46 -1.882 2.704 15.143 139 HG SER 46 HG SER 46 -2.532 2.794 12.464 140 H GLN 47 HN GLN 47 -2.032 0.261 16.846 141 HA GLN 47 HA GLN 47 0.343 -0.798 16.035 142 HB2 GLN 47 HB2 GLN 47 -1.490 -1.803 18.207 143 HB3 GLN 47 HB3 GLN 47 0.179 -2.321 18.018 144 HG2 GLN 47 HG2 GLN 47 -0.804 0.452 18.642 145 HG3 GLN 47 HG3 GLN 47 0.065 -0.641 19.716 146 HE21 GLN 47 HE21 GLN 47 0.310 1.536 17.018 147 HE22 GLN 47 HE22 GLN 47 2.036 1.632 16.992 148 H ALA 48 HN ALA 48 -2.693 -2.663 16.324 149 HA ALA 48 HA ALA 48 -1.712 -5.098 15.394 150 HB1 ALA 48 HB1 ALA 48 -4.027 -5.705 14.958 151 HB2 ALA 48 HB2 ALA 48 -4.503 -4.010 15.063 152 HB3 ALA 48 HB3 ALA 48 -3.888 -4.843 16.490 153 H LEU 49 HN LEU 49 -3.176 -2.425 13.557 154 HA LEU 49 HA LEU 49 -3.082 -3.697 11.038 155 HB2 LEU 49 HB2 LEU 49 -3.228 -0.809 11.871 156 HB3 LEU 49 HB3 LEU 49 -3.153 -1.273 10.183 157 HG LEU 49 HG LEU 49 -5.233 -2.641 10.549 158 HD11 LEU 49 HD11 LEU 49 -5.206 -1.206 13.198 159 HD12 LEU 49 HD12 LEU 49 -5.157 -2.948 12.928 160 HD13 LEU 49 HD13 LEU 49 -6.608 -2.034 12.521 161 HD21 LEU 49 HD21 LEU 49 -5.286 -0.430 9.508 162 HD22 LEU 49 HD22 LEU 49 -5.443 0.317 11.098 163 HD23 LEU 49 HD23 LEU 49 -6.728 -0.721 10.480 164 H LYS 50 HN LYS 50 -0.780 -1.612 12.741 165 HA LYS 50 HA LYS 50 1.063 -1.292 10.648 166 HB2 LYS 50 HB2 LYS 50 1.443 -1.221 13.635 167 HB3 LYS 50 HB3 LYS 50 2.701 -0.789 12.487 168 HG2 LYS 50 HG2 LYS 50 1.361 1.044 11.654 169 HG3 LYS 50 HG3 LYS 50 0.030 0.583 12.716 170 HD2 LYS 50 HD2 LYS 50 1.364 1.065 14.669 171 HD3 LYS 50 HD3 LYS 50 2.777 1.392 13.665 172 HE2 LYS 50 HE2 LYS 50 1.578 3.282 12.636 173 HE3 LYS 50 HE3 LYS 50 0.205 2.968 13.695 174 HZ1 LYS 50 HZ1 LYS 50 1.609 3.422 15.602 175 HZ2 LYS 50 HZ2 LYS 50 1.608 4.742 14.547 176 HZ3 LYS 50 HZ3 LYS 50 2.939 3.701 14.594 177 H ALA 51 HN ALA 51 0.787 -3.759 13.168 178 HA ALA 51 HA ALA 51 3.179 -5.107 12.771 179 HB1 ALA 51 HB1 ALA 51 1.635 -5.588 14.612 180 HB2 ALA 51 HB2 ALA 51 2.073 -7.060 13.743 181 HB3 ALA 51 HB3 ALA 51 0.495 -6.315 13.480 182 H THR 52 HN THR 52 0.151 -5.298 10.951 183 HA THR 52 HA THR 52 0.718 -7.575 9.404 184 HB THR 52 HB THR 52 -0.932 -5.206 8.505 185 HG1 THR 52 HG1 THR 52 -2.355 -5.761 9.968 186 HG21 THR 52 HG21 THR 52 -0.496 -6.889 6.779 187 HG22 THR 52 HG22 THR 52 -2.193 -6.899 7.259 188 HG23 THR 52 HG23 THR 52 -1.102 -8.152 7.851 189 H PHE 53 HN PHE 53 1.613 -4.183 9.007 190 HA PHE 53 HA PHE 53 2.692 -4.598 6.361 191 HB2 PHE 53 HB2 PHE 53 2.911 -2.192 8.177 192 HB3 PHE 53 HB3 PHE 53 3.334 -2.241 6.470 193 HD1 PHE 53 HD2 PHE 53 1.318 -3.212 4.953 194 HD2 PHE 53 HD1 PHE 53 0.903 -1.237 8.701 195 HE1 PHE 53 HE2 PHE 53 -0.989 -2.592 4.367 196 HE2 PHE 53 HE1 PHE 53 -1.406 -0.616 8.122 197 HZ PHE 53 HZ PHE 53 -2.354 -1.292 5.952 198 H SER 54 HN SER 54 3.851 -5.807 9.064 199 HA SER 54 HA SER 54 6.502 -4.813 9.251 200 HB2 SER 54 HB2 SER 54 5.289 -7.453 10.101 201 HB3 SER 54 HB3 SER 54 6.949 -6.982 10.461 202 HG SER 54 HG SER 54 6.242 -5.446 11.811 203 H GLY 55 HN GLY 55 4.967 -6.914 6.980 204 HA2 GLY 55 HA2 GLY 55 7.336 -8.286 6.120 205 HA3 GLY 55 HA1 GLY 55 5.790 -8.246 5.286 206 H PHE 56 HN PHE 56 6.561 -5.104 5.865 207 HA PHE 56 HA PHE 56 7.576 -4.758 3.141 208 HB2 PHE 56 HB2 PHE 56 5.555 -3.472 3.841 209 HB3 PHE 56 HB3 PHE 56 6.539 -2.644 5.043 210 HD1 PHE 56 HD1 PHE 56 7.602 -3.528 1.609 211 HD2 PHE 56 HD2 PHE 56 6.357 -0.433 4.253 212 HE1 PHE 56 HE1 PHE 56 8.240 -1.846 -0.068 213 HE2 PHE 56 HE2 PHE 56 6.992 1.255 2.578 214 HZ PHE 56 HZ PHE 56 7.935 0.548 0.416 215 H THR 57 HN THR 57 8.276 -3.775 6.481 216 HA THR 57 HA THR 57 10.581 -2.280 5.991 217 HB THR 57 HB THR 57 9.941 -3.961 8.423 218 HG1 THR 57 HG1 THR 57 8.396 -2.476 8.475 219 HG21 THR 57 HG21 THR 57 11.450 -2.414 9.614 220 HG22 THR 57 HG22 THR 57 11.883 -1.676 8.071 221 HG23 THR 57 HG23 THR 57 12.294 -3.361 8.388 222 H LYS 58 HN LYS 58 10.172 -5.767 6.368 223 HA LYS 58 HA LYS 58 12.905 -6.437 6.506 224 HB2 LYS 58 HB2 LYS 58 12.207 -8.698 5.840 225 HB3 LYS 58 HB3 LYS 58 11.169 -8.047 7.101 226 HG2 LYS 58 HG2 LYS 58 9.442 -7.564 5.486 227 HG3 LYS 58 HG3 LYS 58 10.493 -8.078 4.166 228 HD2 LYS 58 HD2 LYS 58 10.581 -10.342 5.219 229 HD3 LYS 58 HD3 LYS 58 9.375 -9.790 6.381 230 HE2 LYS 58 HE2 LYS 58 8.334 -11.036 4.562 231 HE3 LYS 58 HE3 LYS 58 7.809 -9.355 4.559 232 HZ1 LYS 58 HZ1 LYS 58 9.288 -8.885 2.751 233 HZ2 LYS 58 HZ2 LYS 58 8.344 -10.224 2.331 234 HZ3 LYS 58 HZ3 LYS 58 9.950 -10.440 2.812 235 H GLU 59 HN GLU 59 10.769 -5.767 3.819 236 HA GLU 59 HA GLU 59 12.684 -6.599 1.815 237 HB2 GLU 59 HB2 GLU 59 10.180 -6.724 1.534 238 HB3 GLU 59 HB3 GLU 59 10.159 -4.967 1.454 239 HG2 GLU 59 HG2 GLU 59 10.091 -5.829 -0.766 240 HG3 GLU 59 HG3 GLU 59 11.667 -5.086 -0.505 241 H GLN 60 HN GLN 60 11.495 -3.564 3.218 242 HA GLN 60 HA GLN 60 12.729 -1.745 1.518 243 HB2 GLN 60 HB2 GLN 60 12.116 -1.532 4.463 244 HB3 GLN 60 HB3 GLN 60 12.618 -0.174 3.467 245 HG2 GLN 60 HG2 GLN 60 10.642 -0.423 2.089 246 HG3 GLN 60 HG3 GLN 60 10.152 -1.835 3.017 247 HE21 GLN 60 HE21 GLN 60 10.427 1.622 2.987 248 HE22 GLN 60 HE22 GLN 60 9.474 1.915 4.397 249 H GLN 61 HN GLN 61 14.121 -3.691 4.060 250 HA GLN 61 HA GLN 61 16.583 -2.147 4.110 251 HB2 GLN 61 HB2 GLN 61 17.348 -3.709 5.772 252 HB3 GLN 61 HB3 GLN 61 15.693 -3.256 6.154 253 HG2 GLN 61 HG2 GLN 61 14.891 -5.346 5.202 254 HG3 GLN 61 HG3 GLN 61 16.542 -5.804 4.795 255 HE21 GLN 61 HE21 GLN 61 14.637 -7.187 6.482 256 HE22 GLN 61 HE22 GLN 61 15.367 -7.316 8.043 257 H ARG 62 HN ARG 62 15.389 -5.131 2.701 258 HA ARG 62 HA ARG 62 17.926 -6.065 1.786 259 HB2 ARG 62 HB2 ARG 62 15.107 -6.774 0.963 260 HB3 ARG 62 HB3 ARG 62 16.540 -7.608 0.378 261 HG2 ARG 62 HG2 ARG 62 17.050 -8.439 2.532 262 HG3 ARG 62 HG3 ARG 62 15.865 -7.379 3.296 263 HD2 ARG 62 HD2 ARG 62 14.067 -8.580 2.128 264 HD3 ARG 62 HD3 ARG 62 15.265 -9.658 1.413 265 HE ARG 62 HE ARG 62 15.764 -9.981 4.011 266 HH11 ARG 62 HH11 ARG 62 12.718 -9.969 2.277 267 HH12 ARG 62 HH12 ARG 62 11.953 -11.066 3.376 268 HH21 ARG 62 HH21 ARG 62 14.748 -11.425 5.449 269 HH22 ARG 62 HH22 ARG 62 13.102 -11.892 5.175 270 H LEU 63 HN LEU 63 15.411 -4.015 0.411 271 HA LEU 63 HA LEU 63 16.850 -3.855 -2.149 272 HB2 LEU 63 HB2 LEU 63 14.150 -2.720 -1.436 273 HB3 LEU 63 HB3 LEU 63 14.849 -2.870 -3.038 274 HG LEU 63 HG LEU 63 13.991 -5.162 -1.269 275 HD11 LEU 63 HD11 LEU 63 12.099 -3.932 -2.158 276 HD12 LEU 63 HD12 LEU 63 12.248 -5.495 -2.961 277 HD13 LEU 63 HD13 LEU 63 12.778 -4.028 -3.784 278 HD21 LEU 63 HD21 LEU 63 15.892 -5.789 -2.636 279 HD22 LEU 63 HD22 LEU 63 15.098 -5.148 -4.073 280 HD23 LEU 63 HD23 LEU 63 14.426 -6.553 -3.248 281 H GLY 64 HN GLY 64 15.917 -1.944 0.654 282 HA2 GLY 64 HA2 GLY 64 17.169 -0.030 1.323 283 HA3 GLY 64 HA1 GLY 64 17.603 0.241 -0.358 284 H ILE 65 HN ILE 65 14.417 -0.482 -0.459 285 HA ILE 65 HA ILE 65 13.528 2.040 -1.196 286 HB ILE 65 HB ILE 65 11.798 -0.144 -0.027 287 HG12 ILE 65 HG12 ILE 65 12.453 0.318 -2.943 288 HG13 ILE 65 HG13 ILE 65 13.307 -0.850 -1.944 289 HG21 ILE 65 HG21 ILE 65 11.131 2.108 -1.921 290 HG22 ILE 65 HG22 ILE 65 10.684 2.022 -0.218 291 HG23 ILE 65 HG23 ILE 65 10.018 0.859 -1.363 292 HD11 ILE 65 HD11 ILE 65 11.673 -2.039 -3.153 293 HD12 ILE 65 HD12 ILE 65 10.416 -0.873 -2.744 294 HD13 ILE 65 HD13 ILE 65 11.082 -1.926 -1.496 295 HA PRO 66 HA PRO 66 13.297 4.037 2.808 296 HB2 PRO 66 HB2 PRO 66 11.962 6.200 1.336 297 HB3 PRO 66 HB3 PRO 66 13.485 6.225 2.226 298 HG2 PRO 66 HG2 PRO 66 13.398 6.355 -0.460 299 HG3 PRO 66 HG3 PRO 66 14.716 5.542 0.405 300 HD2 PRO 66 HD2 PRO 66 12.337 4.358 -0.976 301 HD3 PRO 66 HD3 PRO 66 14.025 3.803 -0.959 302 H LYS 67 HN LYS 67 11.495 5.368 3.959 303 HA LYS 67 HA LYS 67 8.938 3.976 3.519 304 HB2 LYS 67 HB2 LYS 67 8.473 4.443 5.903 305 HB3 LYS 67 HB3 LYS 67 9.919 3.471 5.672 306 HG2 LYS 67 HG2 LYS 67 11.260 5.580 5.908 307 HG3 LYS 67 HG3 LYS 67 9.764 6.392 6.374 308 HD2 LYS 67 HD2 LYS 67 10.974 5.739 8.359 309 HD3 LYS 67 HD3 LYS 67 9.506 4.771 8.225 310 HE2 LYS 67 HE2 LYS 67 11.395 3.387 8.890 311 HE3 LYS 67 HE3 LYS 67 10.810 2.921 7.294 312 HZ1 LYS 67 HZ1 LYS 67 13.247 3.028 7.439 313 HZ2 LYS 67 HZ2 LYS 67 13.153 4.682 7.779 314 HZ3 LYS 67 HZ3 LYS 67 12.627 4.095 6.282 315 H ASP 68 HN ASP 68 9.758 6.361 2.075 316 HA ASP 68 HA ASP 68 7.644 8.205 2.970 317 HB2 ASP 68 HB2 ASP 68 9.241 9.959 1.766 318 HB3 ASP 68 HB3 ASP 68 9.429 9.548 3.465 319 HA PRO 69 HA PRO 69 6.364 6.923 -1.216 320 HB2 PRO 69 HB2 PRO 69 3.921 8.351 -0.340 321 HB3 PRO 69 HB3 PRO 69 4.102 6.717 -0.984 322 HG2 PRO 69 HG2 PRO 69 3.577 7.124 1.600 323 HG3 PRO 69 HG3 PRO 69 4.658 5.824 1.077 324 HD2 PRO 69 HD2 PRO 69 5.335 8.501 2.231 325 HD3 PRO 69 HD3 PRO 69 6.066 6.915 2.558 326 H ARG 70 HN ARG 70 6.234 10.100 0.309 327 HA ARG 70 HA ARG 70 5.707 11.489 -2.167 328 HB2 ARG 70 HB2 ARG 70 6.798 12.735 0.359 329 HB3 ARG 70 HB3 ARG 70 5.867 13.509 -0.914 330 HG2 ARG 70 HG2 ARG 70 4.165 13.285 0.522 331 HG3 ARG 70 HG3 ARG 70 4.107 11.627 -0.081 332 HD2 ARG 70 HD2 ARG 70 4.068 11.627 2.342 333 HD3 ARG 70 HD3 ARG 70 5.577 10.929 1.765 334 HE ARG 70 HE ARG 70 5.481 13.747 2.584 335 HH11 ARG 70 HH11 ARG 70 6.732 10.505 3.061 336 HH12 ARG 70 HH12 ARG 70 7.964 11.018 4.161 337 HH21 ARG 70 HH21 ARG 70 7.107 14.402 4.039 338 HH22 ARG 70 HH22 ARG 70 8.177 13.222 4.718 339 H GLN 71 HN GLN 71 8.493 10.747 -0.151 340 HA GLN 71 HA GLN 71 10.308 12.021 -2.057 341 HB2 GLN 71 HB2 GLN 71 10.931 10.703 0.582 342 HB3 GLN 71 HB3 GLN 71 12.034 11.670 -0.385 343 HG2 GLN 71 HG2 GLN 71 10.869 13.658 0.091 344 HG3 GLN 71 HG3 GLN 71 9.480 12.780 0.732 345 HE21 GLN 71 HE21 GLN 71 9.633 11.813 2.779 346 HE22 GLN 71 HE22 GLN 71 10.829 12.307 3.924 347 H TRP 72 HN TRP 72 8.918 9.775 -2.995 348 HA TRP 72 HA TRP 72 10.972 7.661 -3.068 349 HB2 TRP 72 HB2 TRP 72 8.023 7.697 -3.165 350 HB3 TRP 72 HB3 TRP 72 8.764 6.645 -4.361 351 HD1 TRP 72 HD1 TRP 72 10.909 6.655 -1.361 352 HE1 TRP 72 HE1 TRP 72 10.466 4.560 0.065 353 HE3 TRP 72 HE3 TRP 72 6.580 5.073 -3.566 354 HZ2 TRP 72 HZ2 TRP 72 8.534 2.510 0.236 355 HZ3 TRP 72 HZ3 TRP 72 5.497 3.037 -2.711 356 HH2 TRP 72 HH2 TRP 72 6.457 1.784 -0.852 357 H THR 73 HN THR 73 10.885 6.463 -5.323 358 HA THR 73 HA THR 73 10.514 8.359 -7.475 359 HB THR 73 HB THR 73 12.922 8.372 -6.910 360 HG1 THR 73 HG1 THR 73 12.899 8.793 -8.994 361 HG21 THR 73 HG21 THR 73 12.767 5.452 -7.667 362 HG22 THR 73 HG22 THR 73 13.146 6.108 -6.075 363 HG23 THR 73 HG23 THR 73 14.261 6.355 -7.418 364 H GLU 74 HN GLU 74 11.019 6.988 -9.703 365 HA GLU 74 HA GLU 74 8.849 5.321 -10.049 366 HB2 GLU 74 HB2 GLU 74 11.462 5.306 -11.567 367 HB3 GLU 74 HB3 GLU 74 9.987 4.513 -12.105 368 HG2 GLU 74 HG2 GLU 74 8.868 6.736 -12.077 369 HG3 GLU 74 HG3 GLU 74 10.436 7.463 -11.730 370 H THR 75 HN THR 75 12.188 4.377 -9.256 371 HA THR 75 HA THR 75 11.799 1.608 -9.403 372 HB THR 75 HB THR 75 13.748 3.036 -7.579 373 HG1 THR 75 HG1 THR 75 14.448 3.741 -9.474 374 HG21 THR 75 HG21 THR 75 13.572 0.664 -7.093 375 HG22 THR 75 HG22 THR 75 15.105 0.992 -7.900 376 HG23 THR 75 HG23 THR 75 13.771 0.273 -8.802 377 H HIS 76 HN HIS 76 11.779 3.738 -6.529 378 HA HIS 76 HA HIS 76 11.119 1.774 -4.648 379 HB2 HIS 76 HB2 HIS 76 10.436 4.721 -4.591 380 HB3 HIS 76 HB3 HIS 76 10.352 3.636 -3.208 381 HD1 HIS 76 HD1 HIS 76 12.271 6.223 -3.685 382 HD2 HIS 76 HD2 HIS 76 13.336 2.207 -3.763 383 HE1 HIS 76 HE1 HIS 76 14.738 6.171 -3.201 384 HE2 HIS 76 HE2 HIS 76 15.355 3.730 -3.224 385 H VAL 77 HN VAL 77 9.029 3.806 -6.650 386 HA VAL 77 HA VAL 77 6.537 3.098 -5.513 387 HB VAL 77 HB VAL 77 7.263 3.996 -8.317 388 HG11 VAL 77 HG11 VAL 77 5.173 2.748 -8.415 389 HG12 VAL 77 HG12 VAL 77 4.867 4.473 -8.609 390 HG13 VAL 77 HG13 VAL 77 4.530 3.687 -7.068 391 HG21 VAL 77 HG21 VAL 77 6.062 5.433 -5.950 392 HG22 VAL 77 HG22 VAL 77 6.330 6.135 -7.545 393 HG23 VAL 77 HG23 VAL 77 7.703 5.625 -6.563 394 H ARG 78 HN ARG 78 8.279 1.830 -8.369 395 HA ARG 78 HA ARG 78 6.430 -0.209 -9.046 396 HB2 ARG 78 HB2 ARG 78 8.015 0.612 -10.668 397 HB3 ARG 78 HB3 ARG 78 9.375 0.156 -9.652 398 HG2 ARG 78 HG2 ARG 78 8.461 -2.244 -9.901 399 HG3 ARG 78 HG3 ARG 78 7.557 -1.583 -11.266 400 HD2 ARG 78 HD2 ARG 78 9.596 -2.478 -12.115 401 HD3 ARG 78 HD3 ARG 78 9.713 -0.720 -12.175 402 HE ARG 78 HE ARG 78 10.820 -1.603 -9.758 403 HH11 ARG 78 HH11 ARG 78 11.497 -1.734 -13.189 404 HH12 ARG 78 HH12 ARG 78 13.211 -1.835 -12.973 405 HH21 ARG 78 HH21 ARG 78 13.082 -1.735 -9.478 406 HH22 ARG 78 HH22 ARG 78 14.111 -1.835 -10.867 407 H ASP 79 HN ASP 79 9.587 -0.411 -7.359 408 HA ASP 79 HA ASP 79 9.516 -3.141 -6.856 409 HB2 ASP 79 HB2 ASP 79 10.893 -0.828 -5.518 410 HB3 ASP 79 HB3 ASP 79 10.976 -2.420 -4.779 411 H TRP 80 HN TRP 80 8.021 -0.485 -5.078 412 HA TRP 80 HA TRP 80 7.271 -2.065 -2.840 413 HB2 TRP 80 HB2 TRP 80 7.290 0.260 -2.409 414 HB3 TRP 80 HB3 TRP 80 6.350 0.621 -3.853 415 HD1 TRP 80 HD1 TRP 80 5.798 -1.179 -0.451 416 HE1 TRP 80 HE1 TRP 80 3.373 -0.735 0.285 417 HE3 TRP 80 HE3 TRP 80 4.192 1.478 -4.511 418 HZ2 TRP 80 HZ2 TRP 80 1.080 0.571 -0.723 419 HZ3 TRP 80 HZ3 TRP 80 1.870 2.290 -4.546 420 HH2 TRP 80 HH2 TRP 80 0.350 1.844 -2.691 421 H VAL 81 HN VAL 81 5.188 -0.633 -5.373 422 HA VAL 81 HA VAL 81 2.876 -1.951 -5.087 423 HB VAL 81 HB VAL 81 4.305 -1.479 -7.713 424 HG11 VAL 81 HG11 VAL 81 1.386 -2.098 -7.260 425 HG12 VAL 81 HG12 VAL 81 2.567 -3.185 -7.990 426 HG13 VAL 81 HG13 VAL 81 2.136 -1.681 -8.800 427 HG21 VAL 81 HG21 VAL 81 3.027 0.531 -7.855 428 HG22 VAL 81 HG22 VAL 81 3.801 0.500 -6.273 429 HG23 VAL 81 HG23 VAL 81 2.091 0.103 -6.424 430 H MET 82 HN MET 82 5.586 -3.303 -6.988 431 HA MET 82 HA MET 82 4.479 -5.788 -7.563 432 HB2 MET 82 HB2 MET 82 7.355 -4.960 -7.161 433 HB3 MET 82 HB3 MET 82 6.886 -6.558 -7.731 434 HG2 MET 82 HG2 MET 82 5.813 -5.587 -9.665 435 HG3 MET 82 HG3 MET 82 6.180 -3.965 -9.084 436 HE1 MET 82 HE1 MET 82 8.466 -4.379 -12.229 437 HE2 MET 82 HE2 MET 82 7.116 -3.510 -11.499 438 HE3 MET 82 HE3 MET 82 6.908 -5.179 -12.026 439 H TRP 83 HN TRP 83 6.513 -4.841 -4.798 440 HA TRP 83 HA TRP 83 6.675 -7.301 -3.511 441 HB2 TRP 83 HB2 TRP 83 8.071 -5.668 -2.614 442 HB3 TRP 83 HB3 TRP 83 6.803 -4.450 -2.584 443 HD1 TRP 83 HD1 TRP 83 8.277 -7.287 -0.512 444 HE1 TRP 83 HE1 TRP 83 7.272 -7.194 1.855 445 HE3 TRP 83 HE3 TRP 83 4.690 -3.729 -1.289 446 HZ2 TRP 83 HZ2 TRP 83 5.224 -5.800 3.211 447 HZ3 TRP 83 HZ3 TRP 83 3.250 -3.073 0.593 448 HH2 TRP 83 HH2 TRP 83 3.513 -4.088 2.798 449 H ALA 84 HN ALA 84 4.100 -4.882 -3.448 450 HA ALA 84 HA ALA 84 2.596 -6.134 -1.358 451 HB1 ALA 84 HB1 ALA 84 0.821 -4.566 -1.969 452 HB2 ALA 84 HB2 ALA 84 1.711 -4.114 -3.423 453 HB3 ALA 84 HB3 ALA 84 2.377 -3.748 -1.831 454 H VAL 85 HN VAL 85 2.980 -6.760 -4.705 455 HA VAL 85 HA VAL 85 0.413 -8.009 -5.121 456 HB VAL 85 HB VAL 85 2.907 -8.203 -6.819 457 HG11 VAL 85 HG11 VAL 85 0.024 -8.807 -7.460 458 HG12 VAL 85 HG12 VAL 85 1.318 -9.988 -7.268 459 HG13 VAL 85 HG13 VAL 85 1.360 -8.844 -8.609 460 HG21 VAL 85 HG21 VAL 85 2.321 -5.912 -6.719 461 HG22 VAL 85 HG22 VAL 85 0.603 -6.270 -6.880 462 HG23 VAL 85 HG23 VAL 85 1.690 -6.521 -8.248 463 H ASN 86 HN ASN 86 3.691 -9.008 -4.301 464 HA ASN 86 HA ASN 86 3.050 -11.827 -4.457 465 HB2 ASN 86 HB2 ASN 86 5.531 -10.376 -3.517 466 HB3 ASN 86 HB3 ASN 86 5.379 -12.128 -3.590 467 HD21 ASN 86 HD21 ASN 86 5.715 -9.197 -5.414 468 HD22 ASN 86 HD22 ASN 86 6.052 -9.944 -6.936 469 H GLU 87 HN GLU 87 3.304 -9.349 -1.978 470 HA GLU 87 HA GLU 87 3.277 -11.177 0.235 471 HB2 GLU 87 HB2 GLU 87 2.743 -8.204 0.092 472 HB3 GLU 87 HB3 GLU 87 2.843 -9.121 1.587 473 HG2 GLU 87 HG2 GLU 87 5.094 -9.054 -0.392 474 HG3 GLU 87 HG3 GLU 87 4.901 -7.827 0.855 475 H PHE 88 HN PHE 88 0.859 -9.228 -1.466 476 HA PHE 88 HA PHE 88 -1.256 -10.394 0.203 477 HB2 PHE 88 HB2 PHE 88 -1.210 -7.986 -1.608 478 HB3 PHE 88 HB3 PHE 88 -2.697 -8.638 -0.932 479 HD1 PHE 88 HD1 PHE 88 0.445 -6.904 -0.183 480 HD2 PHE 88 HD2 PHE 88 -3.232 -8.363 1.387 481 HE1 PHE 88 HE1 PHE 88 0.787 -5.567 1.854 482 HE2 PHE 88 HE2 PHE 88 -2.896 -7.029 3.425 483 HZ PHE 88 HZ PHE 88 -0.887 -5.628 3.659 484 H SER 89 HN SER 89 0.268 -11.330 -2.483 485 HA SER 89 HA SER 89 -0.263 -12.374 -4.449 486 HB2 SER 89 HB2 SER 89 -0.877 -14.038 -2.682 487 HB3 SER 89 HB3 SER 89 -2.537 -13.452 -2.764 488 HG SER 89 HG SER 89 -1.080 -14.953 -4.620 489 H LEU 90 HN LEU 90 -0.991 -9.926 -4.867 490 HA LEU 90 HA LEU 90 -3.797 -9.653 -5.397 491 HB2 LEU 90 HB2 LEU 90 -1.516 -7.816 -6.116 492 HB3 LEU 90 HB3 LEU 90 -3.217 -7.410 -6.200 493 HG LEU 90 HG LEU 90 -1.624 -7.972 -3.700 494 HD11 LEU 90 HD11 LEU 90 -2.990 -5.464 -4.661 495 HD12 LEU 90 HD12 LEU 90 -1.254 -5.764 -4.697 496 HD13 LEU 90 HD13 LEU 90 -2.099 -5.657 -3.152 497 HD21 LEU 90 HD21 LEU 90 -4.553 -7.302 -3.962 498 HD22 LEU 90 HD22 LEU 90 -3.654 -7.503 -2.458 499 HD23 LEU 90 HD23 LEU 90 -3.901 -8.882 -3.529 500 H LYS 91 HN LYS 91 -4.355 -8.608 -7.652 501 HA LYS 91 HA LYS 91 -2.891 -9.739 -9.869 502 HB2 LYS 91 HB2 LYS 91 -4.634 -11.147 -10.722 503 HB3 LYS 91 HB3 LYS 91 -4.313 -11.627 -9.064 504 HG2 LYS 91 HG2 LYS 91 -6.578 -9.812 -9.861 505 HG3 LYS 91 HG3 LYS 91 -6.727 -11.563 -9.715 506 HD2 LYS 91 HD2 LYS 91 -6.019 -11.402 -7.357 507 HD3 LYS 91 HD3 LYS 91 -5.947 -9.647 -7.517 508 HE2 LYS 91 HE2 LYS 91 -8.029 -10.255 -6.479 509 HE3 LYS 91 HE3 LYS 91 -8.351 -9.638 -8.099 510 HZ1 LYS 91 HZ1 LYS 91 -8.607 -11.891 -8.890 511 HZ2 LYS 91 HZ2 LYS 91 -9.645 -11.632 -7.580 512 HZ3 LYS 91 HZ3 LYS 91 -8.220 -12.515 -7.365 513 H GLY 92 HN GLY 92 -3.409 -8.845 -11.859 514 HA2 GLY 92 HA2 GLY 92 -4.522 -7.460 -13.370 515 HA3 GLY 92 HA1 GLY 92 -5.659 -7.029 -12.107 516 H VAL 93 HN VAL 93 -2.786 -6.546 -10.636 517 HA VAL 93 HA VAL 93 -2.949 -3.714 -10.906 518 HB VAL 93 HB VAL 93 -2.257 -4.793 -8.795 519 HG11 VAL 93 HG11 VAL 93 0.376 -5.348 -10.145 520 HG12 VAL 93 HG12 VAL 93 -0.873 -6.568 -9.890 521 HG13 VAL 93 HG13 VAL 93 -0.116 -5.780 -8.508 522 HG21 VAL 93 HG21 VAL 93 -1.704 -2.452 -9.206 523 HG22 VAL 93 HG22 VAL 93 -0.188 -2.936 -9.969 524 HG23 VAL 93 HG23 VAL 93 -0.447 -3.241 -8.252 525 H ASP 94 HN ASP 94 -1.943 -2.395 -12.260 526 HA ASP 94 HA ASP 94 0.001 -3.546 -14.115 527 HB2 ASP 94 HB2 ASP 94 -1.493 -0.921 -14.255 528 HB3 ASP 94 HB3 ASP 94 -0.475 -1.603 -15.517 529 H PHE 95 HN PHE 95 2.088 -3.027 -14.078 530 HA PHE 95 HA PHE 95 3.035 -1.115 -12.090 531 HB2 PHE 95 HB2 PHE 95 4.673 -2.849 -13.962 532 HB3 PHE 95 HB3 PHE 95 5.241 -2.015 -12.520 533 HD1 PHE 95 HD2 PHE 95 3.780 -2.643 -10.339 534 HD2 PHE 95 HD1 PHE 95 4.334 -5.107 -13.766 535 HE1 PHE 95 HE2 PHE 95 3.259 -4.634 -8.990 536 HE2 PHE 95 HE1 PHE 95 3.809 -7.099 -12.423 537 HZ PHE 95 HZ PHE 95 3.272 -6.864 -10.031 538 H GLN 96 HN GLN 96 2.614 -1.338 -15.538 539 HA GLN 96 HA GLN 96 4.345 0.745 -16.349 540 HB2 GLN 96 HB2 GLN 96 1.730 -0.154 -17.580 541 HB3 GLN 96 HB3 GLN 96 2.932 0.860 -18.366 542 HG2 GLN 96 HG2 GLN 96 3.297 -2.002 -17.502 543 HG3 GLN 96 HG3 GLN 96 3.094 -1.419 -19.154 544 HE21 GLN 96 HE21 GLN 96 5.259 -1.690 -16.448 545 HE22 GLN 96 HE22 GLN 96 6.695 -1.232 -17.293 546 H LYS 97 HN LYS 97 1.089 0.690 -15.052 547 HA LYS 97 HA LYS 97 0.387 3.405 -15.517 548 HB2 LYS 97 HB2 LYS 97 -0.598 1.200 -13.754 549 HB3 LYS 97 HB3 LYS 97 -1.134 2.842 -13.443 550 HG2 LYS 97 HG2 LYS 97 -2.711 1.615 -14.844 551 HG3 LYS 97 HG3 LYS 97 -2.035 3.010 -15.684 552 HD2 LYS 97 HD2 LYS 97 -0.526 1.591 -16.922 553 HD3 LYS 97 HD3 LYS 97 -1.045 0.179 -16.000 554 HE2 LYS 97 HE2 LYS 97 -3.296 0.398 -16.911 555 HE3 LYS 97 HE3 LYS 97 -2.802 1.833 -17.811 556 HZ1 LYS 97 HZ1 LYS 97 -1.719 -0.909 -18.190 557 HZ2 LYS 97 HZ2 LYS 97 -1.237 0.466 -19.051 558 HZ3 LYS 97 HZ3 LYS 97 -2.812 -0.125 -19.217 559 H PHE 98 HN PHE 98 2.164 1.763 -12.936 560 HA PHE 98 HA PHE 98 2.324 4.260 -11.416 561 HB2 PHE 98 HB2 PHE 98 3.179 1.453 -10.685 562 HB3 PHE 98 HB3 PHE 98 3.327 2.855 -9.633 563 HD1 PHE 98 HD1 PHE 98 0.955 4.234 -9.557 564 HD2 PHE 98 HD2 PHE 98 1.453 0.051 -10.166 565 HE1 PHE 98 HE1 PHE 98 -1.322 3.844 -8.712 566 HE2 PHE 98 HE2 PHE 98 -0.823 -0.346 -9.323 567 HZ PHE 98 HZ PHE 98 -2.213 1.553 -8.595 568 H CYS 99 HN CYS 99 3.772 3.998 -13.934 569 HA CYS 99 HA CYS 99 6.557 3.697 -13.163 570 HB2 CYS 99 HB2 CYS 99 5.147 4.182 -15.776 571 HB3 CYS 99 HB3 CYS 99 6.887 4.391 -15.634 572 HG CYS 99 HG CYS 99 5.984 1.480 -14.370 573 H MET 100 HN MET 100 6.126 5.517 -11.574 574 HA MET 100 HA MET 100 7.244 7.950 -12.671 575 HB2 MET 100 HB2 MET 100 5.491 9.440 -12.042 576 HB3 MET 100 HB3 MET 100 4.731 8.160 -12.975 577 HG2 MET 100 HG2 MET 100 4.183 7.073 -10.742 578 HG3 MET 100 HG3 MET 100 4.639 8.611 -10.013 579 HE1 MET 100 HE1 MET 100 0.992 7.832 -12.705 580 HE2 MET 100 HE2 MET 100 2.042 6.601 -12.000 581 HE3 MET 100 HE3 MET 100 2.634 7.617 -13.313 582 H SER 101 HN SER 101 7.589 9.590 -10.871 583 HA SER 101 HA SER 101 8.870 8.250 -8.675 584 HB2 SER 101 HB2 SER 101 9.522 10.516 -7.962 585 HB3 SER 101 HB3 SER 101 9.821 10.295 -9.685 586 HG SER 101 HG SER 101 8.792 12.309 -9.149 587 H GLY 102 HN GLY 102 8.503 8.758 -6.421 588 HA2 GLY 102 HA2 GLY 102 5.921 8.221 -5.553 589 HA3 GLY 102 HA1 GLY 102 7.205 8.858 -4.539 590 H ALA 103 HN ALA 103 7.602 11.356 -5.712 591 HA ALA 103 HA ALA 103 5.710 12.957 -4.466 592 HB1 ALA 103 HB1 ALA 103 7.909 13.772 -5.119 593 HB2 ALA 103 HB2 ALA 103 6.644 14.814 -5.772 594 HB3 ALA 103 HB3 ALA 103 7.465 13.659 -6.822 595 H ALA 104 HN ALA 104 5.800 11.758 -7.793 596 HA ALA 104 HA ALA 104 3.563 13.272 -8.723 597 HB1 ALA 104 HB1 ALA 104 4.712 10.704 -9.825 598 HB2 ALA 104 HB2 ALA 104 5.261 12.330 -10.237 599 HB3 ALA 104 HB3 ALA 104 3.629 11.815 -10.665 600 H LEU 105 HN LEU 105 3.998 9.931 -7.580 601 HA LEU 105 HA LEU 105 1.410 8.971 -7.933 602 HB2 LEU 105 HB2 LEU 105 3.545 7.737 -7.237 603 HB3 LEU 105 HB3 LEU 105 3.166 8.238 -5.601 604 HG LEU 105 HG LEU 105 0.958 7.062 -5.843 605 HD11 LEU 105 HD11 LEU 105 2.258 5.993 -8.344 606 HD12 LEU 105 HD12 LEU 105 0.819 7.009 -8.263 607 HD13 LEU 105 HD13 LEU 105 0.780 5.371 -7.613 608 HD21 LEU 105 HD21 LEU 105 3.446 5.383 -6.151 609 HD22 LEU 105 HD22 LEU 105 1.907 4.842 -5.481 610 HD23 LEU 105 HD23 LEU 105 2.847 6.076 -4.643 611 H CYS 106 HN CYS 106 2.806 10.614 -5.089 612 HA CYS 106 HA CYS 106 0.462 10.507 -3.513 613 HB2 CYS 106 HB2 CYS 106 2.618 10.942 -2.488 614 HB3 CYS 106 HB3 CYS 106 2.809 12.420 -3.425 615 HG CYS 106 HG CYS 106 1.365 11.976 -0.502 616 H ALA 107 HN ALA 107 1.711 12.918 -5.777 617 HA ALA 107 HA ALA 107 -0.244 14.908 -5.313 618 HB1 ALA 107 HB1 ALA 107 1.326 14.423 -7.841 619 HB2 ALA 107 HB2 ALA 107 1.914 15.318 -6.439 620 HB3 ALA 107 HB3 ALA 107 0.536 15.924 -7.358 621 H LEU 108 HN LEU 108 -0.291 11.981 -7.199 622 HA LEU 108 HA LEU 108 -2.384 12.618 -8.977 623 HB2 LEU 108 HB2 LEU 108 -1.281 10.034 -7.929 624 HB3 LEU 108 HB3 LEU 108 -2.674 10.053 -8.988 625 HG LEU 108 HG LEU 108 0.046 11.163 -9.679 626 HD11 LEU 108 HD11 LEU 108 0.112 9.241 -11.249 627 HD12 LEU 108 HD12 LEU 108 -1.337 8.607 -10.469 628 HD13 LEU 108 HD13 LEU 108 0.159 8.774 -9.549 629 HD21 LEU 108 HD21 LEU 108 -0.868 11.319 -11.953 630 HD22 LEU 108 HD22 LEU 108 -1.740 12.351 -10.820 631 HD23 LEU 108 HD23 LEU 108 -2.447 10.822 -11.344 632 H GLY 109 HN GLY 109 -2.394 11.324 -5.687 633 HA2 GLY 109 HA2 GLY 109 -4.137 11.393 -4.154 634 HA3 GLY 109 HA1 GLY 109 -5.196 11.987 -5.425 635 H LYS 110 HN LYS 110 -6.285 10.212 -3.782 636 HA LYS 110 HA LYS 110 -5.931 7.495 -4.350 637 HB2 LYS 110 HB2 LYS 110 -7.165 8.305 -2.397 638 HB3 LYS 110 HB3 LYS 110 -8.437 8.920 -3.444 639 HG2 LYS 110 HG2 LYS 110 -9.093 6.728 -4.078 640 HG3 LYS 110 HG3 LYS 110 -7.668 6.015 -3.323 641 HD2 LYS 110 HD2 LYS 110 -9.578 5.649 -1.902 642 HD3 LYS 110 HD3 LYS 110 -8.495 6.803 -1.124 643 HE2 LYS 110 HE2 LYS 110 -9.910 8.647 -1.945 644 HE3 LYS 110 HE3 LYS 110 -11.011 7.465 -2.651 645 HZ1 LYS 110 HZ1 LYS 110 -10.382 7.741 0.239 646 HZ2 LYS 110 HZ2 LYS 110 -11.421 6.586 -0.428 647 HZ3 LYS 110 HZ3 LYS 110 -11.815 8.229 -0.516 648 H GLU 111 HN GLU 111 -8.231 9.826 -5.779 649 HA GLU 111 HA GLU 111 -9.631 8.088 -7.443 650 HB2 GLU 111 HB2 GLU 111 -10.119 10.061 -8.842 651 HB3 GLU 111 HB3 GLU 111 -10.337 10.386 -7.129 652 HG2 GLU 111 HG2 GLU 111 -8.141 11.503 -7.091 653 HG3 GLU 111 HG3 GLU 111 -7.998 11.228 -8.826 654 H CYS 112 HN CYS 112 -6.667 9.930 -8.281 655 HA CYS 112 HA CYS 112 -6.458 8.813 -10.876 656 HB2 CYS 112 HB2 CYS 112 -4.436 10.180 -9.106 657 HB3 CYS 112 HB3 CYS 112 -4.079 9.663 -10.749 658 HG CYS 112 HG CYS 112 -5.371 11.551 -12.025 659 H PHE 113 HN PHE 113 -5.072 7.899 -7.739 660 HA PHE 113 HA PHE 113 -3.316 5.915 -8.690 661 HB2 PHE 113 HB2 PHE 113 -3.286 6.926 -6.392 662 HB3 PHE 113 HB3 PHE 113 -4.716 5.973 -6.008 663 HD1 PHE 113 HD2 PHE 113 -4.572 3.567 -5.743 664 HD2 PHE 113 HD1 PHE 113 -1.122 5.904 -6.596 665 HE1 PHE 113 HE2 PHE 113 -3.138 1.679 -5.091 666 HE2 PHE 113 HE1 PHE 113 0.320 4.020 -5.944 667 HZ PHE 113 HZ PHE 113 -0.687 1.904 -5.191 668 H LEU 114 HN LEU 114 -6.698 5.772 -7.607 669 HA LEU 114 HA LEU 114 -6.981 2.973 -7.860 670 HB2 LEU 114 HB2 LEU 114 -8.807 5.280 -7.522 671 HB3 LEU 114 HB3 LEU 114 -9.515 3.823 -8.192 672 HG LEU 114 HG LEU 114 -8.899 2.550 -6.230 673 HD11 LEU 114 HD11 LEU 114 -7.786 3.548 -4.322 674 HD12 LEU 114 HD12 LEU 114 -7.649 5.083 -5.176 675 HD13 LEU 114 HD13 LEU 114 -6.765 3.672 -5.754 676 HD21 LEU 114 HD21 LEU 114 -10.259 3.695 -4.549 677 HD22 LEU 114 HD22 LEU 114 -10.998 3.777 -6.147 678 HD23 LEU 114 HD23 LEU 114 -10.166 5.184 -5.488 679 H GLU 115 HN GLU 115 -7.039 5.553 -10.177 680 HA GLU 115 HA GLU 115 -8.328 4.050 -12.259 681 HB2 GLU 115 HB2 GLU 115 -6.744 6.619 -12.256 682 HB3 GLU 115 HB3 GLU 115 -7.408 5.914 -13.722 683 HG2 GLU 115 HG2 GLU 115 -9.642 6.160 -12.909 684 HG3 GLU 115 HG3 GLU 115 -9.060 6.662 -11.323 685 H LEU 116 HN LEU 116 -5.109 4.332 -11.019 686 HA LEU 116 HA LEU 116 -3.799 3.291 -13.378 687 HB2 LEU 116 HB2 LEU 116 -2.800 3.810 -10.576 688 HB3 LEU 116 HB3 LEU 116 -1.788 3.274 -11.900 689 HG LEU 116 HG LEU 116 -3.302 5.884 -11.841 690 HD11 LEU 116 HD11 LEU 116 -0.378 5.305 -11.383 691 HD12 LEU 116 HD12 LEU 116 -1.534 5.875 -10.179 692 HD13 LEU 116 HD13 LEU 116 -1.093 6.910 -11.537 693 HD21 LEU 116 HD21 LEU 116 -2.954 5.042 -14.097 694 HD22 LEU 116 HD22 LEU 116 -1.237 4.821 -13.764 695 HD23 LEU 116 HD23 LEU 116 -1.928 6.442 -13.789 696 H ALA 117 HN ALA 117 -4.877 2.099 -10.242 697 HA ALA 117 HA ALA 117 -3.957 -0.611 -10.956 698 HB1 ALA 117 HB1 ALA 117 -4.416 0.743 -8.327 699 HB2 ALA 117 HB2 ALA 117 -2.998 -0.136 -8.900 700 HB3 ALA 117 HB3 ALA 117 -4.456 -1.014 -8.448 701 HA PRO 118 HA PRO 118 -8.025 -2.227 -11.480 702 HB2 PRO 118 HB2 PRO 118 -7.949 -4.451 -9.812 703 HB3 PRO 118 HB3 PRO 118 -7.381 -4.399 -11.481 704 HG2 PRO 118 HG2 PRO 118 -5.838 -4.172 -8.944 705 HG3 PRO 118 HG3 PRO 118 -5.399 -4.981 -10.457 706 HD2 PRO 118 HD2 PRO 118 -4.354 -2.602 -9.792 707 HD3 PRO 118 HD3 PRO 118 -4.753 -2.998 -11.476 708 H ASP 119 HN ASP 119 -9.942 -3.114 -10.208 709 HA ASP 119 HA ASP 119 -10.814 -1.170 -8.384 710 HB2 ASP 119 HB2 ASP 119 -11.969 -3.853 -9.088 711 HB3 ASP 119 HB3 ASP 119 -12.800 -2.642 -8.117 712 H PHE 120 HN PHE 120 -8.928 -3.960 -7.731 713 HA PHE 120 HA PHE 120 -9.881 -3.857 -4.975 714 HB2 PHE 120 HB2 PHE 120 -8.586 -6.190 -6.392 715 HB3 PHE 120 HB3 PHE 120 -8.915 -6.173 -4.663 716 HD1 PHE 120 HD2 PHE 120 -10.438 -6.205 -8.009 717 HD2 PHE 120 HD1 PHE 120 -11.120 -6.490 -3.817 718 HE1 PHE 120 HE2 PHE 120 -12.720 -7.016 -8.439 719 HE2 PHE 120 HE1 PHE 120 -13.404 -7.301 -4.241 720 HZ PHE 120 HZ PHE 120 -14.206 -7.564 -6.554 721 H VAL 121 HN VAL 121 -6.823 -4.524 -6.709 722 HA VAL 121 HA VAL 121 -5.144 -4.207 -4.488 723 HB VAL 121 HB VAL 121 -3.310 -4.184 -5.924 724 HG11 VAL 121 HG11 VAL 121 -3.712 -5.915 -7.538 725 HG12 VAL 121 HG12 VAL 121 -5.440 -5.563 -7.547 726 HG13 VAL 121 HG13 VAL 121 -4.686 -6.233 -6.101 727 HG21 VAL 121 HG21 VAL 121 -3.569 -2.324 -7.275 728 HG22 VAL 121 HG22 VAL 121 -5.125 -2.867 -7.897 729 HG23 VAL 121 HG23 VAL 121 -3.640 -3.663 -8.419 730 H GLY 122 HN GLY 122 -6.504 -1.798 -6.672 731 HA2 GLY 122 HA2 GLY 122 -4.891 0.392 -6.137 732 HA3 GLY 122 HA1 GLY 122 -6.603 0.491 -6.515 733 H ASP 123 HN ASP 123 -7.474 -0.971 -4.164 734 HA ASP 123 HA ASP 123 -7.569 1.205 -2.314 735 HB2 ASP 123 HB2 ASP 123 -8.565 -1.637 -2.054 736 HB3 ASP 123 HB3 ASP 123 -8.936 -0.330 -0.934 737 H ILE 124 HN ILE 124 -6.175 -2.078 -2.174 738 HA ILE 124 HA ILE 124 -5.086 -1.940 0.389 739 HB ILE 124 HB ILE 124 -3.925 -3.408 -1.982 740 HG12 ILE 124 HG12 ILE 124 -5.945 -4.300 0.088 741 HG13 ILE 124 HG13 ILE 124 -6.256 -4.028 -1.623 742 HG21 ILE 124 HG21 ILE 124 -3.546 -3.806 0.982 743 HG22 ILE 124 HG22 ILE 124 -2.335 -3.256 -0.177 744 HG23 ILE 124 HG23 ILE 124 -2.960 -4.902 -0.269 745 HD11 ILE 124 HD11 ILE 124 -6.057 -6.396 -1.114 746 HD12 ILE 124 HD12 ILE 124 -4.428 -6.127 -0.486 747 HD13 ILE 124 HD13 ILE 124 -4.770 -5.860 -2.197 748 H LEU 125 HN LEU 125 -3.408 -1.411 -2.700 749 HA LEU 125 HA LEU 125 -0.946 -0.633 -1.716 750 HB2 LEU 125 HB2 LEU 125 -2.368 0.321 -4.215 751 HB3 LEU 125 HB3 LEU 125 -0.669 0.591 -3.884 752 HG LEU 125 HG LEU 125 -1.962 -2.119 -4.186 753 HD11 LEU 125 HD11 LEU 125 -0.761 -2.219 -6.321 754 HD12 LEU 125 HD12 LEU 125 -0.247 -0.547 -6.101 755 HD13 LEU 125 HD13 LEU 125 -1.959 -0.925 -6.295 756 HD21 LEU 125 HD21 LEU 125 -0.042 -2.216 -2.733 757 HD22 LEU 125 HD22 LEU 125 0.918 -1.287 -3.883 758 HD23 LEU 125 HD23 LEU 125 0.375 -2.912 -4.299 759 H TRP 126 HN TRP 126 -3.561 1.663 -2.722 760 HA TRP 126 HA TRP 126 -2.160 3.929 -1.750 761 HB2 TRP 126 HB2 TRP 126 -3.832 4.670 -3.152 762 HB3 TRP 126 HB3 TRP 126 -4.943 3.384 -2.695 763 HD1 TRP 126 HD1 TRP 126 -4.082 6.980 -1.932 764 HE1 TRP 126 HE1 TRP 126 -5.749 7.919 -0.209 765 HE3 TRP 126 HE3 TRP 126 -6.424 2.638 -0.631 766 HZ2 TRP 126 HZ2 TRP 126 -7.787 6.936 1.486 767 HZ3 TRP 126 HZ3 TRP 126 -8.216 2.714 1.049 768 HH2 TRP 126 HH2 TRP 126 -8.882 4.818 2.087 769 H GLU 127 HN GLU 127 -4.249 1.634 -0.072 770 HA GLU 127 HA GLU 127 -4.753 3.231 2.211 771 HB2 GLU 127 HB2 GLU 127 -5.803 0.964 1.583 772 HB3 GLU 127 HB3 GLU 127 -4.374 0.228 2.293 773 HG2 GLU 127 HG2 GLU 127 -6.128 0.247 3.916 774 HG3 GLU 127 HG3 GLU 127 -4.882 1.389 4.416 775 H HIS 128 HN HIS 128 -2.244 0.718 1.674 776 HA HIS 128 HA HIS 128 -0.806 1.362 4.049 777 HB2 HIS 128 HB2 HIS 128 -0.676 -0.863 3.001 778 HB3 HIS 128 HB3 HIS 128 0.095 -0.154 1.589 779 HD1 HIS 128 HD1 HIS 128 2.215 -1.581 1.905 780 HD2 HIS 128 HD2 HIS 128 1.357 0.891 5.133 781 HE1 HIS 128 HE1 HIS 128 4.281 -1.603 3.334 782 HE2 HIS 128 HE2 HIS 128 3.744 -0.097 5.281 783 H LEU 129 HN LEU 129 -0.669 2.415 0.716 784 HA LEU 129 HA LEU 129 1.845 3.652 0.657 785 HB2 LEU 129 HB2 LEU 129 0.406 3.238 -1.316 786 HB3 LEU 129 HB3 LEU 129 -0.693 4.485 -0.763 787 HG LEU 129 HG LEU 129 1.171 6.138 -0.990 788 HD11 LEU 129 HD11 LEU 129 3.108 5.510 -2.345 789 HD12 LEU 129 HD12 LEU 129 2.566 3.832 -2.337 790 HD13 LEU 129 HD13 LEU 129 3.051 4.608 -0.830 791 HD21 LEU 129 HD21 LEU 129 1.027 6.267 -3.428 792 HD22 LEU 129 HD22 LEU 129 -0.541 5.900 -2.706 793 HD23 LEU 129 HD23 LEU 129 0.397 4.620 -3.478 794 H GLU 130 HN GLU 130 -1.360 5.012 1.467 795 HA GLU 130 HA GLU 130 -0.404 7.589 2.048 796 HB2 GLU 130 HB2 GLU 130 -2.776 7.049 1.534 797 HB3 GLU 130 HB3 GLU 130 -2.903 6.275 3.107 798 HG2 GLU 130 HG2 GLU 130 -3.843 8.562 3.021 799 HG3 GLU 130 HG3 GLU 130 -2.584 8.348 4.234 800 H ILE 131 HN ILE 131 -0.778 4.688 3.970 801 HA ILE 131 HA ILE 131 -0.423 5.787 6.529 802 HB ILE 131 HB ILE 131 0.148 3.050 5.402 803 HG12 ILE 131 HG12 ILE 131 -1.900 3.953 7.434 804 HG13 ILE 131 HG13 ILE 131 -2.214 3.871 5.704 805 HG21 ILE 131 HG21 ILE 131 0.493 3.949 8.256 806 HG22 ILE 131 HG22 ILE 131 1.741 3.325 7.177 807 HG23 ILE 131 HG23 ILE 131 0.443 2.266 7.731 808 HD11 ILE 131 HD11 ILE 131 -3.083 1.914 6.800 809 HD12 ILE 131 HD12 ILE 131 -1.503 1.570 7.504 810 HD13 ILE 131 HD13 ILE 131 -1.733 1.462 5.759 811 H LEU 132 HN LEU 132 1.889 4.697 4.094 812 HA LEU 132 HA LEU 132 4.249 4.939 5.628 813 HB2 LEU 132 HB2 LEU 132 3.761 5.124 2.660 814 HB3 LEU 132 HB3 LEU 132 5.360 5.125 3.379 815 HG LEU 132 HG LEU 132 3.382 2.874 3.733 816 HD11 LEU 132 HD11 LEU 132 4.685 1.665 2.060 817 HD12 LEU 132 HD12 LEU 132 5.662 3.106 1.773 818 HD13 LEU 132 HD13 LEU 132 3.944 3.109 1.373 819 HD21 LEU 132 HD21 LEU 132 6.353 3.056 4.227 820 HD22 LEU 132 HD22 LEU 132 5.352 1.619 4.445 821 HD23 LEU 132 HD23 LEU 132 5.097 3.035 5.465 822 H GLN 133 HN GLN 133 2.388 7.251 3.718 823 HA GLN 133 HA GLN 133 4.259 9.357 3.690 824 HB2 GLN 133 HB2 GLN 133 1.254 9.580 3.614 825 HB3 GLN 133 HB3 GLN 133 2.409 10.786 3.069 826 HG2 GLN 133 HG2 GLN 133 3.151 9.322 1.296 827 HG3 GLN 133 HG3 GLN 133 2.071 8.052 1.867 828 HE21 GLN 133 HE21 GLN 133 0.920 7.927 -0.033 829 HE22 GLN 133 HE22 GLN 133 -0.153 9.173 -0.558 830 H LYS 134 HN LYS 134 1.410 8.862 5.790 831 HA LYS 134 HA LYS 134 1.797 11.073 7.446 832 HB2 LYS 134 HB2 LYS 134 0.354 9.931 9.064 833 HB3 LYS 134 HB3 LYS 134 -0.288 9.817 7.432 834 HG2 LYS 134 HG2 LYS 134 0.326 7.549 7.242 835 HG3 LYS 134 HG3 LYS 134 1.339 7.625 8.685 836 HD2 LYS 134 HD2 LYS 134 -0.679 8.029 10.046 837 HD3 LYS 134 HD3 LYS 134 -1.668 7.873 8.594 838 HE2 LYS 134 HE2 LYS 134 -0.810 5.577 8.297 839 HE3 LYS 134 HE3 LYS 134 0.096 5.743 9.800 840 HZ1 LYS 134 HZ1 LYS 134 -2.008 6.066 10.970 841 HZ2 LYS 134 HZ2 LYS 134 -1.974 4.577 10.168 842 HZ3 LYS 134 HZ3 LYS 134 -2.860 5.864 9.521 843 H GLU 135 HN GLU 135 3.131 7.818 7.650 844 HA GLU 135 HA GLU 135 4.263 8.026 10.220 845 HB2 GLU 135 HB2 GLU 135 3.979 5.862 9.274 846 HB3 GLU 135 HB3 GLU 135 4.899 6.289 7.839 847 HG2 GLU 135 HG2 GLU 135 6.181 6.273 10.546 848 HG3 GLU 135 HG3 GLU 135 5.989 4.789 9.615 849 H ASP 136 HN ASP 136 5.776 8.439 7.008 850 HA ASP 136 HA ASP 136 8.217 9.419 8.207 851 HB2 ASP 136 HB2 ASP 136 8.135 8.010 6.115 852 HB3 ASP 136 HB3 ASP 136 7.481 9.412 5.277 853 H VAL 137 HN VAL 137 8.342 11.417 8.952 854 HA VAL 137 HA VAL 137 7.011 13.578 7.449 855 HB VAL 137 HB VAL 137 6.800 14.820 9.568 856 HG11 VAL 137 HG11 VAL 137 4.956 13.551 10.492 857 HG12 VAL 137 HG12 VAL 137 5.537 12.085 9.703 858 HG13 VAL 137 HG13 VAL 137 4.946 13.434 8.734 859 HG21 VAL 137 HG21 VAL 137 7.760 12.270 10.869 860 HG22 VAL 137 HG22 VAL 137 7.155 13.698 11.708 861 HG23 VAL 137 HG23 VAL 137 8.656 13.787 10.788 862 H LYS 138 HN LYS 138 9.599 12.704 6.825 863 HA LYS 138 HA LYS 138 11.380 14.714 8.006 864 HB2 LYS 138 HB2 LYS 138 12.015 12.308 6.289 865 HB3 LYS 138 HB3 LYS 138 13.206 13.423 6.940 866 HG2 LYS 138 HG2 LYS 138 13.312 11.711 8.459 867 HG3 LYS 138 HG3 LYS 138 12.144 12.780 9.235 868 HD2 LYS 138 HD2 LYS 138 10.318 11.427 8.238 869 HD3 LYS 138 HD3 LYS 138 11.530 10.327 7.587 870 HE2 LYS 138 HE2 LYS 138 10.697 9.361 9.597 871 HE3 LYS 138 HE3 LYS 138 12.324 9.951 9.930 872 HZ1 LYS 138 HZ1 LYS 138 10.732 10.484 11.700 873 HZ2 LYS 138 HZ2 LYS 138 9.825 11.405 10.611 874 HZ3 LYS 138 HZ3 LYS 138 11.399 11.877 11.009 Start of MODEL 17 1 H HIS 28 H1 HIS 28 -29.295 1.003 12.382 2 HA HIS 28 HA HIS 28 -27.896 -0.355 10.998 3 HB2 HIS 28 HB2 HIS 28 -28.237 1.964 10.324 4 HB3 HIS 28 HB3 HIS 28 -26.896 2.483 11.340 5 HD1 HIS 28 HD1 HIS 28 -27.649 0.778 8.091 6 HD2 HIS 28 HD2 HIS 28 -24.351 2.073 10.262 7 HE1 HIS 28 HE1 HIS 28 -25.700 0.627 6.509 8 HE2 HIS 28 HE2 HIS 28 -23.708 1.373 7.858 9 H MET 29 HN MET 29 -25.881 1.581 13.219 10 HA MET 29 HA MET 29 -23.949 1.116 14.315 11 HB2 MET 29 HB2 MET 29 -24.907 -1.106 14.802 12 HB3 MET 29 HB3 MET 29 -24.278 -1.706 13.275 13 HG2 MET 29 HG2 MET 29 -22.007 -1.330 14.031 14 HG3 MET 29 HG3 MET 29 -22.607 -0.655 15.544 15 HE1 MET 29 HE1 MET 29 -21.033 -4.104 16.605 16 HE2 MET 29 HE2 MET 29 -20.984 -2.355 16.824 17 HE3 MET 29 HE3 MET 29 -20.460 -3.068 15.297 18 H GLU 30 HN GLU 30 -23.706 -0.975 11.420 19 HA GLU 30 HA GLU 30 -21.878 0.826 10.123 20 HB2 GLU 30 HB2 GLU 30 -19.959 -0.701 10.084 21 HB3 GLU 30 HB3 GLU 30 -20.357 -0.226 11.729 22 HG2 GLU 30 HG2 GLU 30 -21.505 -2.362 12.062 23 HG3 GLU 30 HG3 GLU 30 -21.085 -2.836 10.418 24 H CYS 31 HN CYS 31 -21.082 -0.102 8.024 25 HA CYS 31 HA CYS 31 -23.251 -1.542 6.749 26 HB2 CYS 31 HB2 CYS 31 -22.191 0.456 5.692 27 HB3 CYS 31 HB3 CYS 31 -20.700 -0.463 5.524 28 HG CYS 31 HG CYS 31 -21.646 -0.558 3.016 29 H ALA 32 HN ALA 32 -22.547 -3.392 8.273 30 HA ALA 32 HA ALA 32 -21.362 -5.432 6.675 31 HB1 ALA 32 HB1 ALA 32 -19.300 -4.347 7.424 32 HB2 ALA 32 HB2 ALA 32 -19.458 -5.964 8.109 33 HB3 ALA 32 HB3 ALA 32 -19.800 -4.548 9.103 34 H ASP 33 HN ASP 33 -22.042 -4.483 10.040 35 HA ASP 33 HA ASP 33 -23.740 -6.850 10.318 36 HB2 ASP 33 HB2 ASP 33 -22.800 -7.212 12.626 37 HB3 ASP 33 HB3 ASP 33 -21.692 -7.590 11.312 38 H VAL 34 HN VAL 34 -25.530 -6.563 11.556 39 HA VAL 34 HA VAL 34 -26.280 -3.856 12.189 40 HB VAL 34 HB VAL 34 -28.447 -4.803 12.844 41 HG11 VAL 34 HG11 VAL 34 -27.421 -5.981 10.262 42 HG12 VAL 34 HG12 VAL 34 -28.000 -4.329 10.480 43 HG13 VAL 34 HG13 VAL 34 -29.110 -5.684 10.676 44 HG21 VAL 34 HG21 VAL 34 -28.883 -7.200 12.654 45 HG22 VAL 34 HG22 VAL 34 -27.653 -6.874 13.874 46 HG23 VAL 34 HG23 VAL 34 -27.183 -7.487 12.289 47 HA PRO 35 HA PRO 35 -25.306 -3.652 16.486 48 HB2 PRO 35 HB2 PRO 35 -27.597 -2.539 17.534 49 HB3 PRO 35 HB3 PRO 35 -26.338 -1.625 16.697 50 HG2 PRO 35 HG2 PRO 35 -28.945 -2.654 15.653 51 HG3 PRO 35 HG3 PRO 35 -28.156 -1.092 15.359 52 HD2 PRO 35 HD2 PRO 35 -28.083 -3.072 13.546 53 HD3 PRO 35 HD3 PRO 35 -26.703 -1.982 13.789 54 H LEU 36 HN LEU 36 -25.147 -5.685 17.271 55 HA LEU 36 HA LEU 36 -26.986 -6.684 19.099 56 HB2 LEU 36 HB2 LEU 36 -28.407 -7.176 17.172 57 HB3 LEU 36 HB3 LEU 36 -27.107 -8.081 16.423 58 HG LEU 36 HG LEU 36 -27.222 -9.726 18.275 59 HD11 LEU 36 HD11 LEU 36 -29.607 -8.092 19.129 60 HD12 LEU 36 HD12 LEU 36 -28.107 -8.318 20.027 61 HD13 LEU 36 HD13 LEU 36 -29.187 -9.685 19.759 62 HD21 LEU 36 HD21 LEU 36 -28.428 -10.115 16.190 63 HD22 LEU 36 HD22 LEU 36 -29.826 -9.250 16.829 64 HD23 LEU 36 HD23 LEU 36 -29.314 -10.768 17.567 65 H LEU 37 HN LEU 37 -24.664 -7.734 16.634 66 HA LEU 37 HA LEU 37 -23.538 -9.770 18.346 67 HB2 LEU 37 HB2 LEU 37 -22.750 -8.728 15.625 68 HB3 LEU 37 HB3 LEU 37 -21.877 -9.998 16.460 69 HG LEU 37 HG LEU 37 -24.056 -11.305 16.488 70 HD11 LEU 37 HD11 LEU 37 -24.827 -9.121 14.563 71 HD12 LEU 37 HD12 LEU 37 -25.642 -9.573 16.060 72 HD13 LEU 37 HD13 LEU 37 -25.656 -10.674 14.683 73 HD21 LEU 37 HD21 LEU 37 -22.792 -10.640 13.832 74 HD22 LEU 37 HD22 LEU 37 -23.772 -12.065 14.175 75 HD23 LEU 37 HD23 LEU 37 -22.222 -11.845 14.986 76 H TPO 38 HN TPO 38 -20.953 -9.760 18.308 77 HA TPO 38 HA TPO 38 -20.058 -7.088 19.159 78 HB TPO 38 HB TPO 38 -20.542 -8.487 21.125 79 HG21 TPO 38 HG21 TPO 38 -18.330 -10.247 21.118 80 HG22 TPO 38 HG22 TPO 38 -19.251 -10.543 19.642 81 HG23 TPO 38 HG23 TPO 38 -20.046 -10.641 21.213 82 HA PRO 39 HA PRO 39 -17.000 -9.111 16.203 83 HB2 PRO 39 HB2 PRO 39 -17.406 -7.643 13.993 84 HB3 PRO 39 HB3 PRO 39 -18.413 -9.047 14.368 85 HG2 PRO 39 HG2 PRO 39 -18.992 -6.139 14.775 86 HG3 PRO 39 HG3 PRO 39 -20.057 -7.416 14.161 87 HD2 PRO 39 HD2 PRO 39 -20.102 -6.500 16.746 88 HD3 PRO 39 HD3 PRO 39 -20.614 -8.128 16.262 89 H SER 40 HN SER 40 -14.949 -8.283 15.794 90 HA SER 40 HA SER 40 -14.489 -5.547 16.761 91 HB2 SER 40 HB2 SER 40 -12.566 -7.873 16.518 92 HB3 SER 40 HB3 SER 40 -12.140 -6.265 17.105 93 HG SER 40 HG SER 40 -12.585 -7.509 18.881 94 H SEP 41 HN SEP 41 -15.325 -4.963 14.527 95 HA SEP 41 HA SEP 41 -13.816 -5.416 12.210 96 HB2 SEP 41 HB2 SEP 41 -16.049 -3.745 12.977 97 HB3 SEP 41 HB3 SEP 41 -14.943 -2.855 11.929 98 H LYS 42 HN LYS 42 -13.476 -2.990 14.743 99 HA LYS 42 HA LYS 42 -11.613 -1.316 13.456 100 HB2 LYS 42 HB2 LYS 42 -12.764 -0.616 15.480 101 HB3 LYS 42 HB3 LYS 42 -12.004 -1.912 16.395 102 HG2 LYS 42 HG2 LYS 42 -9.837 -0.885 16.129 103 HG3 LYS 42 HG3 LYS 42 -10.527 0.368 15.095 104 HD2 LYS 42 HD2 LYS 42 -11.870 1.191 16.943 105 HD3 LYS 42 HD3 LYS 42 -11.278 -0.109 17.980 106 HE2 LYS 42 HE2 LYS 42 -10.088 1.931 18.482 107 HE3 LYS 42 HE3 LYS 42 -8.989 0.776 17.732 108 HZ1 LYS 42 HZ1 LYS 42 -9.191 1.946 15.651 109 HZ2 LYS 42 HZ2 LYS 42 -8.731 3.037 16.858 110 HZ3 LYS 42 HZ3 LYS 42 -10.330 3.013 16.307 111 H GLU 43 HN GLU 43 -11.185 -4.228 15.427 112 HA GLU 43 HA GLU 43 -8.334 -4.123 15.400 113 HB2 GLU 43 HB2 GLU 43 -10.194 -6.437 15.974 114 HB3 GLU 43 HB3 GLU 43 -8.461 -6.438 16.271 115 HG2 GLU 43 HG2 GLU 43 -10.527 -4.702 17.603 116 HG3 GLU 43 HG3 GLU 43 -9.618 -6.027 18.328 117 H MET 44 HN MET 44 -10.768 -5.724 13.402 118 HA MET 44 HA MET 44 -8.980 -7.331 11.906 119 HB2 MET 44 HB2 MET 44 -11.330 -7.862 11.969 120 HB3 MET 44 HB3 MET 44 -11.751 -6.294 11.299 121 HG2 MET 44 HG2 MET 44 -10.465 -6.984 9.231 122 HG3 MET 44 HG3 MET 44 -10.428 -8.607 9.918 123 HE1 MET 44 HE1 MET 44 -12.813 -5.655 8.812 124 HE2 MET 44 HE2 MET 44 -13.355 -6.079 10.436 125 HE3 MET 44 HE3 MET 44 -14.390 -6.409 9.046 126 H MET 45 HN MET 45 -10.386 -4.118 11.330 127 HA MET 45 HA MET 45 -9.332 -3.696 8.767 128 HB2 MET 45 HB2 MET 45 -10.142 -1.771 10.942 129 HB3 MET 45 HB3 MET 45 -9.599 -1.233 9.358 130 HG2 MET 45 HG2 MET 45 -11.430 -2.430 8.303 131 HG3 MET 45 HG3 MET 45 -11.963 -3.025 9.873 132 HE1 MET 45 HE1 MET 45 -10.614 0.583 8.927 133 HE2 MET 45 HE2 MET 45 -12.134 1.391 8.543 134 HE3 MET 45 HE3 MET 45 -11.561 0.065 7.532 135 H SER 46 HN SER 46 -7.989 -2.919 11.971 136 HA SER 46 HA SER 46 -5.642 -1.699 10.862 137 HB2 SER 46 HB2 SER 46 -4.826 -1.670 13.215 138 HB3 SER 46 HB3 SER 46 -6.447 -0.995 13.059 139 HG SER 46 HG SER 46 -6.166 -2.496 14.832 140 H GLN 47 HN GLN 47 -6.570 -4.918 11.806 141 HA GLN 47 HA GLN 47 -4.224 -6.232 12.310 142 HB2 GLN 47 HB2 GLN 47 -6.481 -7.259 12.306 143 HB3 GLN 47 HB3 GLN 47 -6.449 -7.264 10.548 144 HG2 GLN 47 HG2 GLN 47 -4.549 -8.772 10.564 145 HG3 GLN 47 HG3 GLN 47 -4.516 -8.733 12.326 146 HE21 GLN 47 HE21 GLN 47 -4.837 -10.940 12.525 147 HE22 GLN 47 HE22 GLN 47 -6.349 -11.695 12.169 148 H ALA 48 HN ALA 48 -5.593 -5.568 9.083 149 HA ALA 48 HA ALA 48 -3.554 -6.762 7.577 150 HB1 ALA 48 HB1 ALA 48 -5.268 -4.422 6.764 151 HB2 ALA 48 HB2 ALA 48 -5.762 -6.113 6.679 152 HB3 ALA 48 HB3 ALA 48 -4.421 -5.535 5.690 153 H LEU 49 HN LEU 49 -3.911 -3.403 8.690 154 HA LEU 49 HA LEU 49 -1.641 -2.361 7.404 155 HB2 LEU 49 HB2 LEU 49 -3.162 -1.527 9.859 156 HB3 LEU 49 HB3 LEU 49 -1.732 -0.657 9.340 157 HG LEU 49 HG LEU 49 -2.854 -0.231 7.148 158 HD11 LEU 49 HD11 LEU 49 -5.320 -0.505 7.083 159 HD12 LEU 49 HD12 LEU 49 -5.211 -1.466 8.559 160 HD13 LEU 49 HD13 LEU 49 -4.436 -2.030 7.078 161 HD21 LEU 49 HD21 LEU 49 -4.318 1.517 7.995 162 HD22 LEU 49 HD22 LEU 49 -2.834 1.434 8.944 163 HD23 LEU 49 HD23 LEU 49 -4.330 0.756 9.587 164 H LYS 50 HN LYS 50 -2.044 -3.790 10.628 165 HA LYS 50 HA LYS 50 0.572 -3.353 11.551 166 HB2 LYS 50 HB2 LYS 50 -1.382 -5.528 12.299 167 HB3 LYS 50 HB3 LYS 50 0.076 -5.134 13.198 168 HG2 LYS 50 HG2 LYS 50 -0.777 -3.040 13.865 169 HG3 LYS 50 HG3 LYS 50 -2.101 -3.125 12.700 170 HD2 LYS 50 HD2 LYS 50 -3.026 -5.051 13.939 171 HD3 LYS 50 HD3 LYS 50 -1.732 -4.881 15.127 172 HE2 LYS 50 HE2 LYS 50 -2.522 -2.676 15.724 173 HE3 LYS 50 HE3 LYS 50 -3.749 -2.741 14.462 174 HZ1 LYS 50 HZ1 LYS 50 -3.616 -4.534 16.827 175 HZ2 LYS 50 HZ2 LYS 50 -4.803 -4.576 15.622 176 HZ3 LYS 50 HZ3 LYS 50 -4.678 -3.231 16.639 177 H ALA 51 HN ALA 51 -0.862 -6.057 9.781 178 HA ALA 51 HA ALA 51 1.404 -7.753 9.887 179 HB1 ALA 51 HB1 ALA 51 -0.864 -8.550 9.357 180 HB2 ALA 51 HB2 ALA 51 0.312 -9.032 8.134 181 HB3 ALA 51 HB3 ALA 51 -0.795 -7.696 7.816 182 H THR 52 HN THR 52 0.413 -5.201 7.661 183 HA THR 52 HA THR 52 2.289 -5.755 5.615 184 HB THR 52 HB THR 52 1.046 -3.079 6.281 185 HG1 THR 52 HG1 THR 52 -0.737 -4.096 5.747 186 HG21 THR 52 HG21 THR 52 2.215 -4.192 3.729 187 HG22 THR 52 HG22 THR 52 2.882 -2.887 4.711 188 HG23 THR 52 HG23 THR 52 1.354 -2.660 3.861 189 H PHE 53 HN PHE 53 2.366 -3.535 8.396 190 HA PHE 53 HA PHE 53 4.663 -2.148 7.966 191 HB2 PHE 53 HB2 PHE 53 3.677 -3.301 10.579 192 HB3 PHE 53 HB3 PHE 53 4.963 -2.105 10.458 193 HD1 PHE 53 HD2 PHE 53 3.884 -0.348 8.333 194 HD2 PHE 53 HD1 PHE 53 1.965 -2.168 11.666 195 HE1 PHE 53 HE2 PHE 53 2.206 1.449 8.343 196 HE2 PHE 53 HE1 PHE 53 0.281 -0.376 11.680 197 HZ PHE 53 HZ PHE 53 0.400 1.438 10.017 198 H SER 54 HN SER 54 4.654 -5.227 9.838 199 HA SER 54 HA SER 54 7.436 -5.482 9.922 200 HB2 SER 54 HB2 SER 54 5.921 -6.748 11.390 201 HB3 SER 54 HB3 SER 54 5.353 -7.681 10.005 202 HG SER 54 HG SER 54 7.098 -8.610 11.375 203 H GLY 55 HN GLY 55 5.103 -6.665 7.523 204 HA2 GLY 55 HA2 GLY 55 7.022 -8.186 6.044 205 HA3 GLY 55 HA1 GLY 55 5.412 -7.740 5.506 206 H PHE 56 HN PHE 56 6.561 -4.858 6.298 207 HA PHE 56 HA PHE 56 7.561 -4.358 3.585 208 HB2 PHE 56 HB2 PHE 56 5.520 -3.109 4.421 209 HB3 PHE 56 HB3 PHE 56 6.590 -2.273 5.541 210 HD1 PHE 56 HD1 PHE 56 7.123 -3.238 1.990 211 HD2 PHE 56 HD2 PHE 56 6.681 -0.075 4.802 212 HE1 PHE 56 HE1 PHE 56 7.667 -1.608 0.233 213 HE2 PHE 56 HE2 PHE 56 7.225 1.562 3.046 214 HZ PHE 56 HZ PHE 56 7.719 0.795 0.760 215 H THR 57 HN THR 57 8.307 -3.802 6.995 216 HA THR 57 HA THR 57 10.626 -2.250 6.570 217 HB THR 57 HB THR 57 10.032 -4.047 8.930 218 HG1 THR 57 HG1 THR 57 8.418 -2.635 9.061 219 HG21 THR 57 HG21 THR 57 12.353 -3.343 8.884 220 HG22 THR 57 HG22 THR 57 11.496 -2.469 10.154 221 HG23 THR 57 HG23 THR 57 11.867 -1.666 8.628 222 H LYS 58 HN LYS 58 10.050 -5.659 6.326 223 HA LYS 58 HA LYS 58 12.785 -6.449 6.600 224 HB2 LYS 58 HB2 LYS 58 12.038 -8.639 5.780 225 HB3 LYS 58 HB3 LYS 58 11.012 -8.049 7.077 226 HG2 LYS 58 HG2 LYS 58 9.398 -8.776 5.670 227 HG3 LYS 58 HG3 LYS 58 9.595 -7.151 5.010 228 HD2 LYS 58 HD2 LYS 58 11.090 -8.005 3.295 229 HD3 LYS 58 HD3 LYS 58 10.985 -9.625 3.982 230 HE2 LYS 58 HE2 LYS 58 8.586 -9.670 3.497 231 HE3 LYS 58 HE3 LYS 58 8.696 -8.051 2.810 232 HZ1 LYS 58 HZ1 LYS 58 10.194 -8.907 1.119 233 HZ2 LYS 58 HZ2 LYS 58 8.721 -9.739 1.090 234 HZ3 LYS 58 HZ3 LYS 58 10.086 -10.463 1.778 235 H GLU 59 HN GLU 59 10.677 -5.621 3.902 236 HA GLU 59 HA GLU 59 12.712 -6.306 1.952 237 HB2 GLU 59 HB2 GLU 59 11.121 -5.559 0.281 238 HB3 GLU 59 HB3 GLU 59 10.316 -6.611 1.432 239 HG2 GLU 59 HG2 GLU 59 8.740 -5.042 1.452 240 HG3 GLU 59 HG3 GLU 59 9.841 -4.174 2.512 241 H GLN 60 HN GLN 60 11.511 -3.415 3.585 242 HA GLN 60 HA GLN 60 12.702 -1.469 1.967 243 HB2 GLN 60 HB2 GLN 60 12.048 -1.490 4.905 244 HB3 GLN 60 HB3 GLN 60 12.691 -0.072 4.091 245 HG2 GLN 60 HG2 GLN 60 10.769 0.010 2.640 246 HG3 GLN 60 HG3 GLN 60 10.140 -1.475 3.343 247 HE21 GLN 60 HE21 GLN 60 10.678 1.925 3.825 248 HE22 GLN 60 HE22 GLN 60 9.677 2.092 5.223 249 H GLN 61 HN GLN 61 14.093 -3.557 4.409 250 HA GLN 61 HA GLN 61 16.580 -2.057 4.490 251 HB2 GLN 61 HB2 GLN 61 17.325 -3.677 6.101 252 HB3 GLN 61 HB3 GLN 61 15.676 -3.219 6.502 253 HG2 GLN 61 HG2 GLN 61 14.867 -5.276 5.439 254 HG3 GLN 61 HG3 GLN 61 16.530 -5.740 5.095 255 HE21 GLN 61 HE21 GLN 61 14.526 -7.122 6.677 256 HE22 GLN 61 HE22 GLN 61 15.190 -7.296 8.262 257 H ARG 62 HN ARG 62 15.391 -5.082 3.110 258 HA ARG 62 HA ARG 62 17.914 -5.949 2.106 259 HB2 ARG 62 HB2 ARG 62 15.098 -6.714 1.315 260 HB3 ARG 62 HB3 ARG 62 16.548 -7.535 0.754 261 HG2 ARG 62 HG2 ARG 62 17.060 -8.298 2.951 262 HG3 ARG 62 HG3 ARG 62 15.797 -7.287 3.656 263 HD2 ARG 62 HD2 ARG 62 14.104 -8.587 2.428 264 HD3 ARG 62 HD3 ARG 62 15.381 -9.617 1.785 265 HE ARG 62 HE ARG 62 15.708 -9.771 4.482 266 HH11 ARG 62 HH11 ARG 62 12.999 -10.333 2.336 267 HH12 ARG 62 HH12 ARG 62 12.286 -11.537 3.353 268 HH21 ARG 62 HH21 ARG 62 14.763 -11.357 5.818 269 HH22 ARG 62 HH22 ARG 62 13.286 -12.118 5.331 270 H LEU 63 HN LEU 63 15.324 -3.946 0.829 271 HA LEU 63 HA LEU 63 16.615 -3.781 -1.807 272 HB2 LEU 63 HB2 LEU 63 14.005 -2.553 -0.944 273 HB3 LEU 63 HB3 LEU 63 14.579 -2.823 -2.578 274 HG LEU 63 HG LEU 63 14.011 -5.111 -0.709 275 HD11 LEU 63 HD11 LEU 63 11.949 -3.971 -0.767 276 HD12 LEU 63 HD12 LEU 63 11.821 -5.264 -1.959 277 HD13 LEU 63 HD13 LEU 63 12.112 -3.605 -2.483 278 HD21 LEU 63 HD21 LEU 63 15.349 -5.635 -2.661 279 HD22 LEU 63 HD22 LEU 63 14.154 -4.874 -3.711 280 HD23 LEU 63 HD23 LEU 63 13.739 -6.337 -2.818 281 H GLY 64 HN GLY 64 15.773 -1.824 1.010 282 HA2 GLY 64 HA2 GLY 64 17.079 0.077 1.633 283 HA3 GLY 64 HA1 GLY 64 17.473 0.325 -0.061 284 H ILE 65 HN ILE 65 14.315 -0.357 -0.180 285 HA ILE 65 HA ILE 65 13.393 2.123 -0.912 286 HB ILE 65 HB ILE 65 11.769 -0.094 0.347 287 HG12 ILE 65 HG12 ILE 65 12.243 0.537 -2.578 288 HG13 ILE 65 HG13 ILE 65 13.091 -0.722 -1.688 289 HG21 ILE 65 HG21 ILE 65 10.551 2.004 0.375 290 HG22 ILE 65 HG22 ILE 65 9.858 0.912 -0.824 291 HG23 ILE 65 HG23 ILE 65 10.889 2.248 -1.338 292 HD11 ILE 65 HD11 ILE 65 11.060 -1.941 -1.364 293 HD12 ILE 65 HD12 ILE 65 11.220 -1.549 -3.076 294 HD13 ILE 65 HD13 ILE 65 10.109 -0.630 -2.061 295 HA PRO 66 HA PRO 66 13.340 4.366 2.963 296 HB2 PRO 66 HB2 PRO 66 11.764 6.328 1.426 297 HB3 PRO 66 HB3 PRO 66 13.312 6.527 2.248 298 HG2 PRO 66 HG2 PRO 66 13.136 6.460 -0.425 299 HG3 PRO 66 HG3 PRO 66 14.525 5.775 0.439 300 HD2 PRO 66 HD2 PRO 66 12.179 4.382 -0.789 301 HD3 PRO 66 HD3 PRO 66 13.890 3.910 -0.774 302 H LYS 67 HN LYS 67 11.655 5.540 4.287 303 HA LYS 67 HA LYS 67 9.193 3.972 4.282 304 HB2 LYS 67 HB2 LYS 67 10.594 4.247 6.353 305 HB3 LYS 67 HB3 LYS 67 10.145 5.946 6.361 306 HG2 LYS 67 HG2 LYS 67 7.788 5.317 6.582 307 HG3 LYS 67 HG3 LYS 67 8.252 3.615 6.594 308 HD2 LYS 67 HD2 LYS 67 9.162 5.672 8.605 309 HD3 LYS 67 HD3 LYS 67 7.849 4.523 8.859 310 HE2 LYS 67 HE2 LYS 67 9.434 2.669 8.548 311 HE3 LYS 67 HE3 LYS 67 10.740 3.835 8.342 312 HZ1 LYS 67 HZ1 LYS 67 10.317 4.633 10.595 313 HZ2 LYS 67 HZ2 LYS 67 10.695 2.985 10.590 314 HZ3 LYS 67 HZ3 LYS 67 9.091 3.482 10.788 315 H ASP 68 HN ASP 68 10.247 7.015 3.206 316 HA ASP 68 HA ASP 68 7.565 8.179 3.436 317 HB2 ASP 68 HB2 ASP 68 9.221 9.669 4.295 318 HB3 ASP 68 HB3 ASP 68 10.260 9.426 2.898 319 HA PRO 69 HA PRO 69 6.973 7.082 -0.871 320 HB2 PRO 69 HB2 PRO 69 4.585 8.369 -1.150 321 HB3 PRO 69 HB3 PRO 69 4.760 6.800 -0.358 322 HG2 PRO 69 HG2 PRO 69 4.522 9.522 0.855 323 HG3 PRO 69 HG3 PRO 69 3.754 8.002 1.351 324 HD2 PRO 69 HD2 PRO 69 5.922 9.005 2.608 325 HD3 PRO 69 HD3 PRO 69 5.638 7.261 2.446 326 H ARG 70 HN ARG 70 6.967 10.401 0.384 327 HA ARG 70 HA ARG 70 6.860 11.666 -2.168 328 HB2 ARG 70 HB2 ARG 70 7.772 12.646 0.537 329 HB3 ARG 70 HB3 ARG 70 7.792 13.662 -0.896 330 HG2 ARG 70 HG2 ARG 70 5.786 14.255 0.005 331 HG3 ARG 70 HG3 ARG 70 5.275 12.943 -1.059 332 HD2 ARG 70 HD2 ARG 70 5.233 11.398 0.787 333 HD3 ARG 70 HD3 ARG 70 5.919 12.612 1.866 334 HE ARG 70 HE ARG 70 3.381 13.279 0.618 335 HH11 ARG 70 HH11 ARG 70 5.035 12.051 3.451 336 HH12 ARG 70 HH12 ARG 70 3.708 12.372 4.514 337 HH21 ARG 70 HH21 ARG 70 1.642 13.709 2.027 338 HH22 ARG 70 HH22 ARG 70 1.782 13.314 3.708 339 H GLN 71 HN GLN 71 9.477 10.401 -0.191 340 HA GLN 71 HA GLN 71 11.471 11.483 -2.024 341 HB2 GLN 71 HB2 GLN 71 13.130 10.801 -0.452 342 HB3 GLN 71 HB3 GLN 71 11.833 11.567 0.452 343 HG2 GLN 71 HG2 GLN 71 10.983 9.410 1.134 344 HG3 GLN 71 HG3 GLN 71 12.194 8.592 0.148 345 HE21 GLN 71 HE21 GLN 71 11.749 8.326 2.980 346 HE22 GLN 71 HE22 GLN 71 13.208 8.807 3.766 347 H TRP 72 HN TRP 72 9.533 9.333 -2.777 348 HA TRP 72 HA TRP 72 11.335 7.070 -3.264 349 HB2 TRP 72 HB2 TRP 72 8.371 7.491 -3.327 350 HB3 TRP 72 HB3 TRP 72 9.044 6.261 -4.381 351 HD1 TRP 72 HD1 TRP 72 10.904 6.523 -1.141 352 HE1 TRP 72 HE1 TRP 72 10.245 4.557 0.387 353 HE3 TRP 72 HE3 TRP 72 6.891 4.763 -3.767 354 HZ2 TRP 72 HZ2 TRP 72 8.280 2.533 0.466 355 HZ3 TRP 72 HZ3 TRP 72 5.677 2.810 -2.900 356 HH2 TRP 72 HH2 TRP 72 6.359 1.720 -0.830 357 H THR 73 HN THR 73 11.106 6.091 -5.548 358 HA THR 73 HA THR 73 10.676 8.102 -7.581 359 HB THR 73 HB THR 73 12.700 7.550 -8.791 360 HG1 THR 73 HG1 THR 73 13.145 5.692 -6.667 361 HG21 THR 73 HG21 THR 73 12.884 9.266 -7.030 362 HG22 THR 73 HG22 THR 73 14.392 8.383 -7.261 363 HG23 THR 73 HG23 THR 73 13.358 8.014 -5.881 364 H GLU 74 HN GLU 74 11.160 6.746 -9.877 365 HA GLU 74 HA GLU 74 8.924 5.140 -10.198 366 HB2 GLU 74 HB2 GLU 74 11.486 5.096 -11.805 367 HB3 GLU 74 HB3 GLU 74 9.960 4.388 -12.315 368 HG2 GLU 74 HG2 GLU 74 8.938 6.648 -12.180 369 HG3 GLU 74 HG3 GLU 74 10.541 7.300 -11.849 370 H THR 75 HN THR 75 12.220 4.219 -9.314 371 HA THR 75 HA THR 75 11.835 1.430 -9.545 372 HB THR 75 HB THR 75 13.811 2.887 -7.773 373 HG1 THR 75 HG1 THR 75 14.019 1.962 -10.466 374 HG21 THR 75 HG21 THR 75 15.138 0.810 -7.982 375 HG22 THR 75 HG22 THR 75 13.789 0.059 -8.835 376 HG23 THR 75 HG23 THR 75 13.604 0.549 -7.151 377 H HIS 76 HN HIS 76 11.834 3.556 -6.662 378 HA HIS 76 HA HIS 76 11.148 1.568 -4.801 379 HB2 HIS 76 HB2 HIS 76 10.601 4.539 -4.703 380 HB3 HIS 76 HB3 HIS 76 10.407 3.445 -3.340 381 HD1 HIS 76 HD1 HIS 76 12.615 5.896 -4.201 382 HD2 HIS 76 HD2 HIS 76 13.195 1.877 -3.326 383 HE1 HIS 76 HE1 HIS 76 15.018 5.704 -3.499 384 HE2 HIS 76 HE2 HIS 76 15.328 3.277 -2.902 385 H VAL 77 HN VAL 77 9.131 3.685 -6.778 386 HA VAL 77 HA VAL 77 6.618 3.039 -5.635 387 HB VAL 77 HB VAL 77 7.382 4.049 -8.386 388 HG11 VAL 77 HG11 VAL 77 4.631 3.695 -7.190 389 HG12 VAL 77 HG12 VAL 77 5.274 2.881 -8.617 390 HG13 VAL 77 HG13 VAL 77 4.985 4.621 -8.649 391 HG21 VAL 77 HG21 VAL 77 6.523 6.169 -7.526 392 HG22 VAL 77 HG22 VAL 77 7.829 5.556 -6.512 393 HG23 VAL 77 HG23 VAL 77 6.155 5.401 -5.983 394 H ARG 78 HN ARG 78 8.260 1.827 -8.584 395 HA ARG 78 HA ARG 78 6.291 -0.133 -9.224 396 HB2 ARG 78 HB2 ARG 78 7.980 0.912 -10.803 397 HB3 ARG 78 HB3 ARG 78 9.198 -0.122 -10.074 398 HG2 ARG 78 HG2 ARG 78 6.701 -1.287 -11.242 399 HG3 ARG 78 HG3 ARG 78 8.074 -0.864 -12.266 400 HD2 ARG 78 HD2 ARG 78 9.513 -2.296 -10.834 401 HD3 ARG 78 HD3 ARG 78 8.074 -2.789 -9.944 402 HE ARG 78 HE ARG 78 7.736 -3.240 -12.721 403 HH11 ARG 78 HH11 ARG 78 9.353 -4.538 -9.900 404 HH12 ARG 78 HH12 ARG 78 9.410 -6.150 -10.525 405 HH21 ARG 78 HH21 ARG 78 7.817 -5.364 -13.540 406 HH22 ARG 78 HH22 ARG 78 8.540 -6.620 -12.594 407 H ASP 79 HN ASP 79 9.501 -0.404 -7.644 408 HA ASP 79 HA ASP 79 9.390 -3.183 -7.298 409 HB2 ASP 79 HB2 ASP 79 11.415 -1.659 -6.980 410 HB3 ASP 79 HB3 ASP 79 10.773 -1.281 -5.384 411 H TRP 80 HN TRP 80 8.072 -0.538 -5.374 412 HA TRP 80 HA TRP 80 7.401 -2.101 -3.119 413 HB2 TRP 80 HB2 TRP 80 7.389 0.202 -2.667 414 HB3 TRP 80 HB3 TRP 80 6.472 0.579 -4.121 415 HD1 TRP 80 HD1 TRP 80 5.851 -1.232 -0.736 416 HE1 TRP 80 HE1 TRP 80 3.427 -0.750 -0.022 417 HE3 TRP 80 HE3 TRP 80 4.336 1.494 -4.786 418 HZ2 TRP 80 HZ2 TRP 80 1.167 0.602 -1.042 419 HZ3 TRP 80 HZ3 TRP 80 2.028 2.348 -4.838 420 HH2 TRP 80 HH2 TRP 80 0.480 1.909 -3.004 421 H VAL 81 HN VAL 81 5.147 -0.696 -5.529 422 HA VAL 81 HA VAL 81 2.905 -2.103 -5.067 423 HB VAL 81 HB VAL 81 3.012 -0.444 -6.825 424 HG11 VAL 81 HG11 VAL 81 4.527 -2.477 -8.450 425 HG12 VAL 81 HG12 VAL 81 5.181 -0.984 -7.780 426 HG13 VAL 81 HG13 VAL 81 3.937 -0.919 -9.028 427 HG21 VAL 81 HG21 VAL 81 1.578 -1.501 -8.465 428 HG22 VAL 81 HG22 VAL 81 1.181 -2.079 -6.847 429 HG23 VAL 81 HG23 VAL 81 2.117 -3.097 -7.941 430 H MET 82 HN MET 82 5.654 -3.327 -7.000 431 HA MET 82 HA MET 82 4.588 -5.817 -7.702 432 HB2 MET 82 HB2 MET 82 6.613 -5.030 -8.744 433 HB3 MET 82 HB3 MET 82 7.446 -4.965 -7.197 434 HG2 MET 82 HG2 MET 82 8.178 -6.876 -8.482 435 HG3 MET 82 HG3 MET 82 7.333 -7.398 -7.028 436 HE1 MET 82 HE1 MET 82 6.145 -6.128 -10.561 437 HE2 MET 82 HE2 MET 82 5.691 -7.650 -11.327 438 HE3 MET 82 HE3 MET 82 7.379 -7.335 -10.922 439 H TRP 83 HN TRP 83 6.566 -4.889 -4.897 440 HA TRP 83 HA TRP 83 6.675 -7.382 -3.637 441 HB2 TRP 83 HB2 TRP 83 8.158 -5.826 -2.756 442 HB3 TRP 83 HB3 TRP 83 6.958 -4.540 -2.728 443 HD1 TRP 83 HD1 TRP 83 8.214 -7.513 -0.672 444 HE1 TRP 83 HE1 TRP 83 7.291 -7.303 1.721 445 HE3 TRP 83 HE3 TRP 83 5.028 -3.577 -1.370 446 HZ2 TRP 83 HZ2 TRP 83 5.454 -5.683 3.124 447 HZ3 TRP 83 HZ3 TRP 83 3.726 -2.759 0.548 448 HH2 TRP 83 HH2 TRP 83 3.935 -3.791 2.750 449 H ALA 84 HN ALA 84 4.229 -4.828 -3.503 450 HA ALA 84 HA ALA 84 2.689 -6.008 -1.413 451 HB1 ALA 84 HB1 ALA 84 0.986 -4.375 -1.996 452 HB2 ALA 84 HB2 ALA 84 1.823 -4.006 -3.503 453 HB3 ALA 84 HB3 ALA 84 2.576 -3.614 -1.957 454 H VAL 85 HN VAL 85 2.984 -6.633 -4.786 455 HA VAL 85 HA VAL 85 0.392 -7.877 -5.101 456 HB VAL 85 HB VAL 85 2.803 -7.745 -6.918 457 HG11 VAL 85 HG11 VAL 85 1.318 -8.687 -8.663 458 HG12 VAL 85 HG12 VAL 85 0.112 -9.013 -7.418 459 HG13 VAL 85 HG13 VAL 85 1.675 -9.829 -7.368 460 HG21 VAL 85 HG21 VAL 85 0.079 -6.514 -7.268 461 HG22 VAL 85 HG22 VAL 85 1.543 -6.192 -8.200 462 HG23 VAL 85 HG23 VAL 85 1.433 -5.672 -6.519 463 H ASN 86 HN ASN 86 3.703 -8.819 -4.428 464 HA ASN 86 HA ASN 86 3.205 -11.646 -4.731 465 HB2 ASN 86 HB2 ASN 86 5.586 -10.205 -3.539 466 HB3 ASN 86 HB3 ASN 86 5.519 -11.915 -3.955 467 HD21 ASN 86 HD21 ASN 86 7.269 -9.742 -4.917 468 HD22 ASN 86 HD22 ASN 86 7.101 -9.743 -6.636 469 H GLU 87 HN GLU 87 3.456 -9.323 -2.079 470 HA GLU 87 HA GLU 87 3.397 -11.275 0.007 471 HB2 GLU 87 HB2 GLU 87 2.797 -8.310 0.062 472 HB3 GLU 87 HB3 GLU 87 2.954 -9.327 1.486 473 HG2 GLU 87 HG2 GLU 87 5.146 -8.941 -0.535 474 HG3 GLU 87 HG3 GLU 87 4.964 -7.960 0.915 475 H PHE 88 HN PHE 88 0.950 -9.318 -1.638 476 HA PHE 88 HA PHE 88 -1.147 -10.563 -0.004 477 HB2 PHE 88 HB2 PHE 88 -1.153 -8.127 -1.777 478 HB3 PHE 88 HB3 PHE 88 -2.625 -8.824 -1.114 479 HD1 PHE 88 HD1 PHE 88 0.487 -7.052 -0.316 480 HD2 PHE 88 HD2 PHE 88 -3.187 -8.577 1.196 481 HE1 PHE 88 HE1 PHE 88 0.794 -5.739 1.743 482 HE2 PHE 88 HE2 PHE 88 -2.888 -7.267 3.256 483 HZ PHE 88 HZ PHE 88 -0.897 -5.846 3.529 484 H SER 89 HN SER 89 0.409 -11.426 -2.694 485 HA SER 89 HA SER 89 -0.087 -12.449 -4.681 486 HB2 SER 89 HB2 SER 89 -2.258 -13.623 -2.922 487 HB3 SER 89 HB3 SER 89 -1.678 -14.321 -4.434 488 HG SER 89 HG SER 89 -0.435 -14.187 -1.934 489 H LEU 90 HN LEU 90 -0.899 -10.034 -5.093 490 HA LEU 90 HA LEU 90 -3.719 -9.899 -5.656 491 HB2 LEU 90 HB2 LEU 90 -1.538 -7.901 -6.242 492 HB3 LEU 90 HB3 LEU 90 -3.259 -7.601 -6.377 493 HG LEU 90 HG LEU 90 -1.750 -8.174 -3.825 494 HD11 LEU 90 HD11 LEU 90 -3.105 -5.660 -4.789 495 HD12 LEU 90 HD12 LEU 90 -1.364 -5.933 -4.745 496 HD13 LEU 90 HD13 LEU 90 -2.287 -5.881 -3.243 497 HD21 LEU 90 HD21 LEU 90 -3.864 -7.740 -2.691 498 HD22 LEU 90 HD22 LEU 90 -4.002 -9.126 -3.771 499 HD23 LEU 90 HD23 LEU 90 -4.676 -7.567 -4.247 500 H LYS 91 HN LYS 91 -4.313 -8.854 -7.878 501 HA LYS 91 HA LYS 91 -2.700 -9.729 -10.104 502 HB2 LYS 91 HB2 LYS 91 -4.182 -11.329 -11.032 503 HB3 LYS 91 HB3 LYS 91 -3.963 -11.786 -9.351 504 HG2 LYS 91 HG2 LYS 91 -6.335 -10.268 -10.423 505 HG3 LYS 91 HG3 LYS 91 -6.291 -12.006 -10.133 506 HD2 LYS 91 HD2 LYS 91 -5.808 -11.558 -7.748 507 HD3 LYS 91 HD3 LYS 91 -5.964 -9.831 -8.069 508 HE2 LYS 91 HE2 LYS 91 -8.279 -10.214 -8.834 509 HE3 LYS 91 HE3 LYS 91 -8.113 -11.917 -8.411 510 HZ1 LYS 91 HZ1 LYS 91 -7.748 -11.272 -6.110 511 HZ2 LYS 91 HZ2 LYS 91 -9.229 -10.678 -6.667 512 HZ3 LYS 91 HZ3 LYS 91 -7.904 -9.638 -6.518 513 H GLY 92 HN GLY 92 -3.447 -8.967 -12.142 514 HA2 GLY 92 HA2 GLY 92 -4.740 -7.660 -13.578 515 HA3 GLY 92 HA1 GLY 92 -5.808 -7.284 -12.239 516 H VAL 93 HN VAL 93 -2.903 -6.608 -10.945 517 HA VAL 93 HA VAL 93 -3.221 -3.788 -11.358 518 HB VAL 93 HB VAL 93 -2.555 -4.743 -9.160 519 HG11 VAL 93 HG11 VAL 93 -0.272 -5.441 -8.779 520 HG12 VAL 93 HG12 VAL 93 0.114 -5.205 -10.482 521 HG13 VAL 93 HG13 VAL 93 -1.021 -6.467 -10.001 522 HG21 VAL 93 HG21 VAL 93 -0.627 -2.764 -10.371 523 HG22 VAL 93 HG22 VAL 93 -0.868 -3.032 -8.644 524 HG23 VAL 93 HG23 VAL 93 -2.183 -2.391 -9.630 525 H ASP 94 HN ASP 94 -2.113 -2.465 -12.665 526 HA ASP 94 HA ASP 94 -0.059 -3.678 -14.377 527 HB2 ASP 94 HB2 ASP 94 -2.095 -2.626 -15.424 528 HB3 ASP 94 HB3 ASP 94 -1.526 -1.073 -14.819 529 H PHE 95 HN PHE 95 1.984 -2.912 -14.474 530 HA PHE 95 HA PHE 95 2.777 -1.022 -12.395 531 HB2 PHE 95 HB2 PHE 95 4.480 -2.710 -14.253 532 HB3 PHE 95 HB3 PHE 95 5.072 -1.757 -12.896 533 HD1 PHE 95 HD2 PHE 95 4.584 -2.441 -10.592 534 HD2 PHE 95 HD1 PHE 95 3.399 -4.820 -13.915 535 HE1 PHE 95 HE2 PHE 95 4.209 -4.349 -9.088 536 HE2 PHE 95 HE1 PHE 95 3.017 -6.732 -12.414 537 HZ PHE 95 HZ PHE 95 3.423 -6.497 -9.997 538 H GLN 96 HN GLN 96 2.379 -1.093 -15.849 539 HA GLN 96 HA GLN 96 4.092 1.056 -16.535 540 HB2 GLN 96 HB2 GLN 96 1.479 0.351 -17.883 541 HB3 GLN 96 HB3 GLN 96 2.828 1.227 -18.581 542 HG2 GLN 96 HG2 GLN 96 4.201 -0.751 -18.532 543 HG3 GLN 96 HG3 GLN 96 2.934 -1.648 -17.697 544 HE21 GLN 96 HE21 GLN 96 2.776 -3.204 -19.297 545 HE22 GLN 96 HE22 GLN 96 2.083 -2.879 -20.845 546 H LYS 97 HN LYS 97 0.875 0.894 -15.163 547 HA LYS 97 HA LYS 97 0.119 3.619 -15.512 548 HB2 LYS 97 HB2 LYS 97 -0.762 1.638 -13.399 549 HB3 LYS 97 HB3 LYS 97 -1.574 3.137 -13.822 550 HG2 LYS 97 HG2 LYS 97 -1.252 0.711 -15.570 551 HG3 LYS 97 HG3 LYS 97 -2.735 1.280 -14.809 552 HD2 LYS 97 HD2 LYS 97 -2.622 3.334 -16.145 553 HD3 LYS 97 HD3 LYS 97 -1.146 2.746 -16.914 554 HE2 LYS 97 HE2 LYS 97 -2.392 0.817 -17.791 555 HE3 LYS 97 HE3 LYS 97 -3.865 1.444 -17.050 556 HZ1 LYS 97 HZ1 LYS 97 -3.672 3.418 -18.444 557 HZ2 LYS 97 HZ2 LYS 97 -3.757 2.016 -19.387 558 HZ3 LYS 97 HZ3 LYS 97 -2.273 2.795 -19.165 559 H PHE 98 HN PHE 98 1.932 1.875 -13.024 560 HA PHE 98 HA PHE 98 2.178 4.337 -11.448 561 HB2 PHE 98 HB2 PHE 98 2.944 1.492 -10.753 562 HB3 PHE 98 HB3 PHE 98 3.084 2.876 -9.675 563 HD1 PHE 98 HD2 PHE 98 0.666 4.299 -9.810 564 HD2 PHE 98 HD1 PHE 98 1.248 0.094 -10.120 565 HE1 PHE 98 HE2 PHE 98 -1.638 3.927 -9.038 566 HE2 PHE 98 HE1 PHE 98 -1.058 -0.284 -9.352 567 HZ PHE 98 HZ PHE 98 -2.503 1.636 -8.807 568 H CYS 99 HN CYS 99 3.574 4.096 -13.959 569 HA CYS 99 HA CYS 99 6.360 3.628 -13.255 570 HB2 CYS 99 HB2 CYS 99 5.425 2.854 -15.438 571 HB3 CYS 99 HB3 CYS 99 5.182 4.537 -15.889 572 HG CYS 99 HG CYS 99 7.538 4.932 -16.824 573 H MET 100 HN MET 100 6.101 5.446 -11.633 574 HA MET 100 HA MET 100 7.273 7.840 -12.748 575 HB2 MET 100 HB2 MET 100 5.616 9.404 -12.033 576 HB3 MET 100 HB3 MET 100 4.776 8.180 -12.974 577 HG2 MET 100 HG2 MET 100 4.242 7.071 -10.741 578 HG3 MET 100 HG3 MET 100 4.767 8.582 -10.003 579 HE1 MET 100 HE1 MET 100 1.988 6.707 -11.933 580 HE2 MET 100 HE2 MET 100 2.709 7.646 -13.240 581 HE3 MET 100 HE3 MET 100 1.073 8.012 -12.688 582 H SER 101 HN SER 101 7.670 9.484 -10.935 583 HA SER 101 HA SER 101 9.065 8.126 -8.829 584 HB2 SER 101 HB2 SER 101 9.852 10.253 -9.895 585 HB3 SER 101 HB3 SER 101 8.515 11.104 -9.121 586 HG SER 101 HG SER 101 9.541 11.042 -7.277 587 H GLY 102 HN GLY 102 8.806 8.636 -6.536 588 HA2 GLY 102 HA2 GLY 102 6.277 8.006 -5.554 589 HA3 GLY 102 HA1 GLY 102 7.592 8.664 -4.594 590 H ALA 103 HN ALA 103 7.906 11.181 -5.600 591 HA ALA 103 HA ALA 103 5.988 12.702 -4.313 592 HB1 ALA 103 HB1 ALA 103 6.892 14.620 -5.538 593 HB2 ALA 103 HB2 ALA 103 7.712 13.526 -6.651 594 HB3 ALA 103 HB3 ALA 103 8.178 13.565 -4.951 595 H ALA 104 HN ALA 104 6.070 11.618 -7.679 596 HA ALA 104 HA ALA 104 3.832 13.153 -8.559 597 HB1 ALA 104 HB1 ALA 104 3.951 11.895 -10.568 598 HB2 ALA 104 HB2 ALA 104 4.820 10.581 -9.776 599 HB3 ALA 104 HB3 ALA 104 5.613 12.137 -10.026 600 H LEU 105 HN LEU 105 4.248 9.786 -7.498 601 HA LEU 105 HA LEU 105 1.646 8.866 -7.876 602 HB2 LEU 105 HB2 LEU 105 3.793 7.602 -7.208 603 HB3 LEU 105 HB3 LEU 105 3.363 8.019 -5.560 604 HG LEU 105 HG LEU 105 1.155 6.867 -5.948 605 HD11 LEU 105 HD11 LEU 105 1.023 5.278 -7.795 606 HD12 LEU 105 HD12 LEU 105 2.562 5.869 -8.421 607 HD13 LEU 105 HD13 LEU 105 1.156 6.934 -8.385 608 HD21 LEU 105 HD21 LEU 105 3.649 5.191 -6.220 609 HD22 LEU 105 HD22 LEU 105 2.080 4.632 -5.637 610 HD23 LEU 105 HD23 LEU 105 2.991 5.825 -4.711 611 H CYS 106 HN CYS 106 3.076 10.460 -5.025 612 HA CYS 106 HA CYS 106 0.746 10.315 -3.422 613 HB2 CYS 106 HB2 CYS 106 3.045 12.280 -3.291 614 HB3 CYS 106 HB3 CYS 106 1.836 12.047 -2.033 615 HG CYS 106 HG CYS 106 4.442 10.857 -1.501 616 H ALA 107 HN ALA 107 1.961 12.749 -5.681 617 HA ALA 107 HA ALA 107 0.060 14.762 -5.132 618 HB1 ALA 107 HB1 ALA 107 0.702 15.686 -7.329 619 HB2 ALA 107 HB2 ALA 107 1.610 14.210 -7.661 620 HB3 ALA 107 HB3 ALA 107 2.096 15.265 -6.333 621 H LEU 108 HN LEU 108 -0.051 11.913 -7.184 622 HA LEU 108 HA LEU 108 -2.250 12.568 -8.783 623 HB2 LEU 108 HB2 LEU 108 -1.139 9.947 -7.830 624 HB3 LEU 108 HB3 LEU 108 -2.563 10.015 -8.847 625 HG LEU 108 HG LEU 108 0.148 11.111 -9.595 626 HD11 LEU 108 HD11 LEU 108 0.178 9.219 -11.188 627 HD12 LEU 108 HD12 LEU 108 -1.280 8.589 -10.422 628 HD13 LEU 108 HD13 LEU 108 0.221 8.706 -9.502 629 HD21 LEU 108 HD21 LEU 108 -0.832 11.321 -11.836 630 HD22 LEU 108 HD22 LEU 108 -1.667 12.331 -10.656 631 HD23 LEU 108 HD23 LEU 108 -2.394 10.816 -11.192 632 H GLY 109 HN GLY 109 -2.105 11.208 -5.522 633 HA2 GLY 109 HA2 GLY 109 -3.751 11.236 -3.893 634 HA3 GLY 109 HA1 GLY 109 -4.857 11.934 -5.066 635 H LYS 110 HN LYS 110 -5.985 10.180 -3.497 636 HA LYS 110 HA LYS 110 -5.793 7.460 -4.106 637 HB2 LYS 110 HB2 LYS 110 -6.976 8.290 -2.142 638 HB3 LYS 110 HB3 LYS 110 -8.194 9.036 -3.167 639 HG2 LYS 110 HG2 LYS 110 -8.854 6.813 -3.976 640 HG3 LYS 110 HG3 LYS 110 -7.659 6.084 -2.903 641 HD2 LYS 110 HD2 LYS 110 -9.801 5.959 -1.837 642 HD3 LYS 110 HD3 LYS 110 -8.824 7.154 -0.982 643 HE2 LYS 110 HE2 LYS 110 -11.104 7.950 -1.288 644 HE3 LYS 110 HE3 LYS 110 -9.964 8.951 -2.183 645 HZ1 LYS 110 HZ1 LYS 110 -11.593 6.770 -3.372 646 HZ2 LYS 110 HZ2 LYS 110 -10.578 7.835 -4.206 647 HZ3 LYS 110 HZ3 LYS 110 -11.977 8.415 -3.455 648 H GLU 111 HN GLU 111 -8.143 9.843 -5.377 649 HA GLU 111 HA GLU 111 -9.583 8.214 -7.077 650 HB2 GLU 111 HB2 GLU 111 -10.011 10.258 -8.432 651 HB3 GLU 111 HB3 GLU 111 -10.263 10.486 -6.709 652 HG2 GLU 111 HG2 GLU 111 -8.023 11.546 -6.576 653 HG3 GLU 111 HG3 GLU 111 -7.905 11.416 -8.330 654 H CYS 112 HN CYS 112 -6.595 10.002 -7.974 655 HA CYS 112 HA CYS 112 -6.528 8.947 -10.603 656 HB2 CYS 112 HB2 CYS 112 -4.367 10.196 -8.911 657 HB3 CYS 112 HB3 CYS 112 -4.150 9.757 -10.598 658 HG CYS 112 HG CYS 112 -4.906 12.605 -9.651 659 H PHE 113 HN PHE 113 -4.953 7.943 -7.575 660 HA PHE 113 HA PHE 113 -3.311 5.946 -8.679 661 HB2 PHE 113 HB2 PHE 113 -3.092 6.903 -6.380 662 HB3 PHE 113 HB3 PHE 113 -4.522 5.991 -5.907 663 HD1 PHE 113 HD2 PHE 113 -4.439 3.579 -5.682 664 HD2 PHE 113 HD1 PHE 113 -0.982 5.814 -6.751 665 HE1 PHE 113 HE2 PHE 113 -3.028 1.635 -5.162 666 HE2 PHE 113 HE1 PHE 113 0.439 3.874 -6.232 667 HZ PHE 113 HZ PHE 113 -0.584 1.780 -5.436 668 H LEU 114 HN LEU 114 -6.601 5.786 -7.324 669 HA LEU 114 HA LEU 114 -6.923 3.001 -7.615 670 HB2 LEU 114 HB2 LEU 114 -8.720 5.309 -7.140 671 HB3 LEU 114 HB3 LEU 114 -9.467 3.853 -7.768 672 HG LEU 114 HG LEU 114 -8.626 2.575 -5.854 673 HD11 LEU 114 HD11 LEU 114 -7.556 5.218 -4.869 674 HD12 LEU 114 HD12 LEU 114 -6.588 3.853 -5.425 675 HD13 LEU 114 HD13 LEU 114 -7.571 3.701 -3.968 676 HD21 LEU 114 HD21 LEU 114 -10.825 3.642 -5.730 677 HD22 LEU 114 HD22 LEU 114 -10.083 5.087 -5.040 678 HD23 LEU 114 HD23 LEU 114 -10.049 3.566 -4.148 679 H GLU 115 HN GLU 115 -7.272 5.648 -9.872 680 HA GLU 115 HA GLU 115 -8.682 4.169 -11.871 681 HB2 GLU 115 HB2 GLU 115 -7.088 6.728 -11.955 682 HB3 GLU 115 HB3 GLU 115 -7.852 6.045 -13.383 683 HG2 GLU 115 HG2 GLU 115 -9.301 6.829 -10.864 684 HG3 GLU 115 HG3 GLU 115 -9.183 7.819 -12.316 685 H LEU 116 HN LEU 116 -5.365 4.398 -10.908 686 HA LEU 116 HA LEU 116 -4.280 3.397 -13.394 687 HB2 LEU 116 HB2 LEU 116 -3.016 3.816 -10.685 688 HB3 LEU 116 HB3 LEU 116 -2.144 3.341 -12.127 689 HG LEU 116 HG LEU 116 -3.674 5.930 -11.886 690 HD11 LEU 116 HD11 LEU 116 -0.731 5.410 -11.494 691 HD12 LEU 116 HD12 LEU 116 -1.879 5.897 -10.247 692 HD13 LEU 116 HD13 LEU 116 -1.493 6.998 -11.571 693 HD21 LEU 116 HD21 LEU 116 -2.414 6.580 -13.847 694 HD22 LEU 116 HD22 LEU 116 -3.304 5.092 -14.172 695 HD23 LEU 116 HD23 LEU 116 -1.570 5.033 -13.850 696 H ALA 117 HN ALA 117 -5.156 2.121 -10.235 697 HA ALA 117 HA ALA 117 -4.216 -0.555 -11.033 698 HB1 ALA 117 HB1 ALA 117 -4.739 0.696 -8.360 699 HB2 ALA 117 HB2 ALA 117 -3.266 -0.064 -8.964 700 HB3 ALA 117 HB3 ALA 117 -4.665 -1.053 -8.551 701 HA PRO 118 HA PRO 118 -8.240 -2.272 -11.577 702 HB2 PRO 118 HB2 PRO 118 -8.089 -4.541 -9.980 703 HB3 PRO 118 HB3 PRO 118 -7.521 -4.420 -11.646 704 HG2 PRO 118 HG2 PRO 118 -5.988 -4.222 -9.101 705 HG3 PRO 118 HG3 PRO 118 -5.524 -4.973 -10.636 706 HD2 PRO 118 HD2 PRO 118 -4.553 -2.583 -9.899 707 HD3 PRO 118 HD3 PRO 118 -4.933 -2.945 -11.595 708 H ASP 119 HN ASP 119 -10.122 -3.254 -10.316 709 HA ASP 119 HA ASP 119 -11.029 -1.387 -8.427 710 HB2 ASP 119 HB2 ASP 119 -12.140 -4.091 -9.137 711 HB3 ASP 119 HB3 ASP 119 -12.991 -2.857 -8.214 712 H PHE 120 HN PHE 120 -9.046 -4.126 -7.872 713 HA PHE 120 HA PHE 120 -9.996 -4.155 -5.112 714 HB2 PHE 120 HB2 PHE 120 -8.563 -6.381 -6.574 715 HB3 PHE 120 HB3 PHE 120 -8.973 -6.434 -4.862 716 HD1 PHE 120 HD1 PHE 120 -11.368 -6.434 -4.178 717 HD2 PHE 120 HD2 PHE 120 -10.160 -6.875 -8.234 718 HE1 PHE 120 HE1 PHE 120 -13.585 -7.343 -4.736 719 HE2 PHE 120 HE2 PHE 120 -12.374 -7.784 -8.800 720 HZ PHE 120 HZ PHE 120 -14.091 -8.019 -7.048 721 H VAL 121 HN VAL 121 -6.907 -4.676 -6.850 722 HA VAL 121 HA VAL 121 -5.249 -4.347 -4.617 723 HB VAL 121 HB VAL 121 -3.407 -4.185 -6.056 724 HG11 VAL 121 HG11 VAL 121 -5.439 -5.688 -7.692 725 HG12 VAL 121 HG12 VAL 121 -4.702 -6.309 -6.217 726 HG13 VAL 121 HG13 VAL 121 -3.698 -5.960 -7.623 727 HG21 VAL 121 HG21 VAL 121 -3.840 -3.711 -8.568 728 HG22 VAL 121 HG22 VAL 121 -3.748 -2.372 -7.427 729 HG23 VAL 121 HG23 VAL 121 -5.318 -2.949 -7.982 730 H GLY 122 HN GLY 122 -6.708 -1.931 -6.718 731 HA2 GLY 122 HA2 GLY 122 -5.159 0.298 -6.167 732 HA3 GLY 122 HA1 GLY 122 -6.883 0.346 -6.497 733 H ASP 123 HN ASP 123 -7.617 -1.213 -4.146 734 HA ASP 123 HA ASP 123 -7.762 0.925 -2.255 735 HB2 ASP 123 HB2 ASP 123 -8.580 -1.970 -1.935 736 HB3 ASP 123 HB3 ASP 123 -9.061 -0.637 -0.891 737 H ILE 124 HN ILE 124 -6.107 -2.229 -2.299 738 HA ILE 124 HA ILE 124 -4.984 -2.061 0.275 739 HB ILE 124 HB ILE 124 -3.874 -3.530 -2.114 740 HG12 ILE 124 HG12 ILE 124 -5.795 -4.446 0.038 741 HG13 ILE 124 HG13 ILE 124 -6.181 -4.192 -1.662 742 HG21 ILE 124 HG21 ILE 124 -2.804 -4.973 -0.425 743 HG22 ILE 124 HG22 ILE 124 -3.388 -3.892 0.840 744 HG23 ILE 124 HG23 ILE 124 -2.230 -3.307 -0.355 745 HD11 ILE 124 HD11 ILE 124 -4.325 -6.270 -0.537 746 HD12 ILE 124 HD12 ILE 124 -4.607 -5.984 -2.253 747 HD13 ILE 124 HD13 ILE 124 -5.927 -6.539 -1.224 748 H LEU 125 HN LEU 125 -3.368 -1.604 -2.861 749 HA LEU 125 HA LEU 125 -0.919 -0.727 -1.968 750 HB2 LEU 125 HB2 LEU 125 -2.414 0.158 -4.447 751 HB3 LEU 125 HB3 LEU 125 -0.704 0.421 -4.168 752 HG LEU 125 HG LEU 125 -1.964 -2.315 -4.286 753 HD11 LEU 125 HD11 LEU 125 -2.265 -1.188 -6.423 754 HD12 LEU 125 HD12 LEU 125 -1.062 -2.472 -6.549 755 HD13 LEU 125 HD13 LEU 125 -0.548 -0.787 -6.464 756 HD21 LEU 125 HD21 LEU 125 0.898 -1.373 -4.400 757 HD22 LEU 125 HD22 LEU 125 0.364 -3.036 -4.641 758 HD23 LEU 125 HD23 LEU 125 0.130 -2.253 -3.079 759 H TRP 126 HN TRP 126 -3.638 1.466 -2.910 760 HA TRP 126 HA TRP 126 -2.237 3.787 -2.043 761 HB2 TRP 126 HB2 TRP 126 -3.938 4.519 -3.397 762 HB3 TRP 126 HB3 TRP 126 -4.993 3.172 -2.986 763 HD1 TRP 126 HD1 TRP 126 -4.213 6.763 -2.010 764 HE1 TRP 126 HE1 TRP 126 -5.997 7.590 -0.351 765 HE3 TRP 126 HE3 TRP 126 -6.620 2.343 -1.145 766 HZ2 TRP 126 HZ2 TRP 126 -8.147 6.505 1.129 767 HZ3 TRP 126 HZ3 TRP 126 -8.530 2.319 0.404 768 HH2 TRP 126 HH2 TRP 126 -9.275 4.359 1.518 769 H GLU 127 HN GLU 127 -4.358 1.542 -0.298 770 HA GLU 127 HA GLU 127 -4.837 3.106 1.986 771 HB2 GLU 127 HB2 GLU 127 -5.891 0.905 1.607 772 HB3 GLU 127 HB3 GLU 127 -4.343 0.107 1.842 773 HG2 GLU 127 HG2 GLU 127 -4.290 1.017 4.151 774 HG3 GLU 127 HG3 GLU 127 -5.914 1.652 3.890 775 H HIS 128 HN HIS 128 -2.187 0.752 1.419 776 HA HIS 128 HA HIS 128 -0.733 1.521 3.741 777 HB2 HIS 128 HB2 HIS 128 -0.519 -0.713 2.716 778 HB3 HIS 128 HB3 HIS 128 0.211 0.020 1.293 779 HD1 HIS 128 HD1 HIS 128 2.395 -1.310 1.627 780 HD2 HIS 128 HD2 HIS 128 1.434 1.177 4.813 781 HE1 HIS 128 HE1 HIS 128 4.471 -1.196 3.040 782 HE2 HIS 128 HE2 HIS 128 3.846 0.262 4.998 783 H LEU 129 HN LEU 129 -0.754 2.549 0.397 784 HA LEU 129 HA LEU 129 1.694 3.886 0.246 785 HB2 LEU 129 HB2 LEU 129 0.134 3.421 -1.652 786 HB3 LEU 129 HB3 LEU 129 -0.901 4.707 -1.065 787 HG LEU 129 HG LEU 129 0.928 6.327 -1.439 788 HD11 LEU 129 HD11 LEU 129 2.817 4.799 -1.189 789 HD12 LEU 129 HD12 LEU 129 2.889 5.664 -2.723 790 HD13 LEU 129 HD13 LEU 129 2.358 3.983 -2.683 791 HD21 LEU 129 HD21 LEU 129 0.182 4.665 -3.841 792 HD22 LEU 129 HD22 LEU 129 0.800 6.317 -3.883 793 HD23 LEU 129 HD23 LEU 129 -0.768 5.980 -3.148 794 H GLU 130 HN GLU 130 -1.496 5.088 1.314 795 HA GLU 130 HA GLU 130 -0.559 7.699 1.870 796 HB2 GLU 130 HB2 GLU 130 -3.000 6.330 2.996 797 HB3 GLU 130 HB3 GLU 130 -2.692 8.060 3.009 798 HG2 GLU 130 HG2 GLU 130 -3.340 6.298 0.675 799 HG3 GLU 130 HG3 GLU 130 -4.223 7.695 1.278 800 H ILE 131 HN ILE 131 -0.779 4.738 3.705 801 HA ILE 131 HA ILE 131 -0.393 5.752 6.287 802 HB ILE 131 HB ILE 131 0.309 3.089 5.058 803 HG12 ILE 131 HG12 ILE 131 -1.776 3.793 7.129 804 HG13 ILE 131 HG13 ILE 131 -2.100 3.771 5.399 805 HG21 ILE 131 HG21 ILE 131 0.594 3.911 7.943 806 HG22 ILE 131 HG22 ILE 131 1.888 3.431 6.844 807 HG23 ILE 131 HG23 ILE 131 0.678 2.252 7.350 808 HD11 ILE 131 HD11 ILE 131 -1.293 1.448 7.126 809 HD12 ILE 131 HD12 ILE 131 -1.425 1.383 5.369 810 HD13 ILE 131 HD13 ILE 131 -2.852 1.718 6.348 811 H LEU 132 HN LEU 132 1.909 4.866 3.753 812 HA LEU 132 HA LEU 132 4.285 5.116 5.227 813 HB2 LEU 132 HB2 LEU 132 3.752 5.598 2.298 814 HB3 LEU 132 HB3 LEU 132 5.353 5.522 3.008 815 HG LEU 132 HG LEU 132 3.353 3.260 2.959 816 HD11 LEU 132 HD11 LEU 132 4.886 2.223 1.372 817 HD12 LEU 132 HD12 LEU 132 5.905 3.662 1.404 818 HD13 LEU 132 HD13 LEU 132 4.268 3.754 0.752 819 HD21 LEU 132 HD21 LEU 132 6.210 3.349 3.925 820 HD22 LEU 132 HD22 LEU 132 5.210 1.902 3.802 821 HD23 LEU 132 HD23 LEU 132 4.775 3.179 4.935 822 H GLN 133 HN GLN 133 2.242 7.506 3.657 823 HA GLN 133 HA GLN 133 4.012 9.700 3.772 824 HB2 GLN 133 HB2 GLN 133 0.990 9.665 3.776 825 HB3 GLN 133 HB3 GLN 133 1.990 11.073 3.453 826 HG2 GLN 133 HG2 GLN 133 2.873 10.038 1.464 827 HG3 GLN 133 HG3 GLN 133 1.982 8.556 1.809 828 HE21 GLN 133 HE21 GLN 133 0.910 8.650 -0.161 829 HE22 GLN 133 HE22 GLN 133 -0.355 9.785 -0.464 830 H LYS 134 HN LYS 134 1.233 8.903 5.855 831 HA LYS 134 HA LYS 134 1.749 10.887 7.790 832 HB2 LYS 134 HB2 LYS 134 0.173 9.564 9.219 833 HB3 LYS 134 HB3 LYS 134 -0.454 10.008 7.640 834 HG2 LYS 134 HG2 LYS 134 -1.129 7.844 7.712 835 HG3 LYS 134 HG3 LYS 134 0.464 7.615 6.994 836 HD2 LYS 134 HD2 LYS 134 0.227 5.996 8.726 837 HD3 LYS 134 HD3 LYS 134 1.348 7.224 9.312 838 HE2 LYS 134 HE2 LYS 134 -0.474 8.282 10.563 839 HE3 LYS 134 HE3 LYS 134 -1.588 7.046 9.979 840 HZ1 LYS 134 HZ1 LYS 134 -0.254 5.372 11.113 841 HZ2 LYS 134 HZ2 LYS 134 -0.814 6.539 12.202 842 HZ3 LYS 134 HZ3 LYS 134 0.796 6.569 11.687 843 H GLU 135 HN GLU 135 2.871 7.581 7.455 844 HA GLU 135 HA GLU 135 3.888 7.318 10.102 845 HB2 GLU 135 HB2 GLU 135 3.315 5.389 8.665 846 HB3 GLU 135 HB3 GLU 135 4.651 5.801 7.601 847 HG2 GLU 135 HG2 GLU 135 6.242 5.353 9.357 848 HG3 GLU 135 HG3 GLU 135 4.936 5.059 10.504 849 H ASP 136 HN ASP 136 5.279 8.367 7.033 850 HA ASP 136 HA ASP 136 7.467 9.624 8.453 851 HB2 ASP 136 HB2 ASP 136 8.370 7.391 8.031 852 HB3 ASP 136 HB3 ASP 136 7.968 7.531 6.324 853 H VAL 137 HN VAL 137 7.353 11.627 7.726 854 HA VAL 137 HA VAL 137 6.468 12.188 5.012 855 HB VAL 137 HB VAL 137 6.439 14.543 5.679 856 HG11 VAL 137 HG11 VAL 137 4.467 13.188 6.113 857 HG12 VAL 137 HG12 VAL 137 4.671 14.407 7.369 858 HG13 VAL 137 HG13 VAL 137 5.110 12.730 7.689 859 HG21 VAL 137 HG21 VAL 137 6.922 15.201 7.990 860 HG22 VAL 137 HG22 VAL 137 8.352 14.547 7.192 861 HG23 VAL 137 HG23 VAL 137 7.456 13.558 8.346 862 H LYS 138 HN LYS 138 9.402 12.212 6.884 863 HA LYS 138 HA LYS 138 10.885 13.837 5.027 864 HB2 LYS 138 HB2 LYS 138 11.421 13.788 7.438 865 HB3 LYS 138 HB3 LYS 138 11.867 12.094 7.296 866 HG2 LYS 138 HG2 LYS 138 13.648 12.744 5.702 867 HG3 LYS 138 HG3 LYS 138 13.237 14.435 5.988 868 HD2 LYS 138 HD2 LYS 138 15.111 13.876 7.374 869 HD3 LYS 138 HD3 LYS 138 13.697 14.065 8.413 870 HE2 LYS 138 HE2 LYS 138 13.419 11.649 8.501 871 HE3 LYS 138 HE3 LYS 138 14.787 11.435 7.410 872 HZ1 LYS 138 HZ1 LYS 138 15.422 11.074 9.710 873 HZ2 LYS 138 HZ2 LYS 138 14.913 12.632 10.127 874 HZ3 LYS 138 HZ3 LYS 138 16.226 12.425 9.082 Start of MODEL 18 1 H HIS 28 H1 HIS 28 8.031 37.561 29.561 2 HA HIS 28 HA HIS 28 9.826 36.623 28.274 3 HB2 HIS 28 HB2 HIS 28 7.890 37.450 27.061 4 HB3 HIS 28 HB3 HIS 28 8.544 39.085 27.063 5 HD1 HIS 28 HD1 HIS 28 8.709 35.854 25.259 6 HD2 HIS 28 HD2 HIS 28 10.712 39.494 25.262 7 HE1 HIS 28 HE1 HIS 28 10.057 35.882 23.137 8 HE2 HIS 28 HE2 HIS 28 11.199 38.127 23.122 9 H MET 29 HN MET 29 10.099 40.177 28.091 10 HA MET 29 HA MET 29 11.863 41.584 27.980 11 HB2 MET 29 HB2 MET 29 13.260 39.270 29.322 12 HB3 MET 29 HB3 MET 29 14.043 40.812 29.011 13 HG2 MET 29 HG2 MET 29 11.578 40.402 30.691 14 HG3 MET 29 HG3 MET 29 13.215 40.645 31.300 15 HE1 MET 29 HE1 MET 29 12.364 42.658 32.829 16 HE2 MET 29 HE2 MET 29 10.726 42.393 32.233 17 HE3 MET 29 HE3 MET 29 11.420 44.014 32.212 18 H GLU 30 HN GLU 30 13.820 38.658 27.460 19 HA GLU 30 HA GLU 30 13.988 39.235 24.606 20 HB2 GLU 30 HB2 GLU 30 16.308 39.372 26.515 21 HB3 GLU 30 HB3 GLU 30 16.549 38.988 24.817 22 HG2 GLU 30 HG2 GLU 30 15.186 41.482 25.806 23 HG3 GLU 30 HG3 GLU 30 16.899 41.377 25.402 24 H CYS 31 HN CYS 31 13.424 37.351 23.746 25 HA CYS 31 HA CYS 31 13.324 35.143 23.246 26 HB2 CYS 31 HB2 CYS 31 16.093 35.133 24.465 27 HB3 CYS 31 HB3 CYS 31 15.409 33.829 23.500 28 HG CYS 31 HG CYS 31 16.259 36.965 22.439 29 H ALA 32 HN ALA 32 11.623 34.634 24.642 30 HA ALA 32 HA ALA 32 12.377 33.417 27.216 31 HB1 ALA 32 HB1 ALA 32 10.755 35.273 27.330 32 HB2 ALA 32 HB2 ALA 32 10.085 33.753 27.919 33 HB3 ALA 32 HB3 ALA 32 9.650 34.345 26.316 34 H ASP 33 HN ASP 33 13.027 31.416 26.356 35 HA ASP 33 HA ASP 33 10.831 29.595 25.825 36 HB2 ASP 33 HB2 ASP 33 11.863 28.666 23.785 37 HB3 ASP 33 HB3 ASP 33 11.390 30.349 23.571 38 H VAL 34 HN VAL 34 11.365 27.389 26.134 39 HA VAL 34 HA VAL 34 14.029 26.859 27.265 40 HB VAL 34 HB VAL 34 11.435 25.901 28.493 41 HG11 VAL 34 HG11 VAL 34 14.291 25.554 29.401 42 HG12 VAL 34 HG12 VAL 34 13.246 24.292 28.747 43 HG13 VAL 34 HG13 VAL 34 12.859 25.046 30.294 44 HG21 VAL 34 HG21 VAL 34 13.392 27.988 29.447 45 HG22 VAL 34 HG22 VAL 34 12.052 27.348 30.397 46 HG23 VAL 34 HG23 VAL 34 11.730 28.261 28.923 47 HA PRO 35 HA PRO 35 13.237 23.715 24.010 48 HB2 PRO 35 HB2 PRO 35 16.163 23.409 24.326 49 HB3 PRO 35 HB3 PRO 35 15.212 23.668 22.861 50 HG2 PRO 35 HG2 PRO 35 16.716 25.623 23.885 51 HG3 PRO 35 HG3 PRO 35 15.134 25.966 23.157 52 HD2 PRO 35 HD2 PRO 35 15.887 25.770 26.050 53 HD3 PRO 35 HD3 PRO 35 14.813 26.932 25.241 54 H LEU 36 HN LEU 36 12.603 21.732 24.554 55 HA LEU 36 HA LEU 36 14.217 20.132 26.392 56 HB2 LEU 36 HB2 LEU 36 11.282 20.716 26.775 57 HB3 LEU 36 HB3 LEU 36 12.142 19.441 27.615 58 HG LEU 36 HG LEU 36 12.842 22.369 27.827 59 HD11 LEU 36 HD11 LEU 36 11.807 22.232 30.066 60 HD12 LEU 36 HD12 LEU 36 11.209 20.623 29.661 61 HD13 LEU 36 HD13 LEU 36 10.646 22.027 28.756 62 HD21 LEU 36 HD21 LEU 36 13.729 19.949 29.395 63 HD22 LEU 36 HD22 LEU 36 14.125 21.620 29.795 64 HD23 LEU 36 HD23 LEU 36 14.717 20.909 28.294 65 H LEU 37 HN LEU 37 14.073 17.927 26.078 66 HA LEU 37 HA LEU 37 13.016 17.086 23.527 67 HB2 LEU 37 HB2 LEU 37 15.224 16.343 24.559 68 HB3 LEU 37 HB3 LEU 37 14.274 15.339 25.638 69 HG LEU 37 HG LEU 37 14.088 15.088 22.642 70 HD11 LEU 37 HD11 LEU 37 15.662 13.241 22.785 71 HD12 LEU 37 HD12 LEU 37 15.893 13.551 24.506 72 HD13 LEU 37 HD13 LEU 37 16.416 14.743 23.315 73 HD21 LEU 37 HD21 LEU 37 13.346 12.780 23.281 74 HD22 LEU 37 HD22 LEU 37 12.249 14.070 23.767 75 HD23 LEU 37 HD23 LEU 37 13.312 13.323 24.958 76 H TPO 38 HN TPO 38 11.095 16.170 23.178 77 HA TPO 38 HA TPO 38 9.774 14.659 25.281 78 HB TPO 38 HB TPO 38 7.664 16.176 24.298 79 HG21 TPO 38 HG21 TPO 38 7.629 17.255 26.501 80 HG22 TPO 38 HG22 TPO 38 9.232 16.601 26.834 81 HG23 TPO 38 HG23 TPO 38 7.863 15.511 26.614 82 HA PRO 39 HA PRO 39 9.062 12.283 21.535 83 HB2 PRO 39 HB2 PRO 39 7.726 10.247 22.788 84 HB3 PRO 39 HB3 PRO 39 9.486 10.382 22.740 85 HG2 PRO 39 HG2 PRO 39 7.586 11.158 24.918 86 HG3 PRO 39 HG3 PRO 39 9.154 10.336 25.039 87 HD2 PRO 39 HD2 PRO 39 8.876 12.962 25.568 88 HD3 PRO 39 HD3 PRO 39 10.344 12.307 24.813 89 H SER 40 HN SER 40 7.185 11.490 20.352 90 HA SER 40 HA SER 40 4.598 12.515 21.277 91 HB2 SER 40 HB2 SER 40 5.805 13.111 18.564 92 HB3 SER 40 HB3 SER 40 4.152 13.495 19.043 93 HG SER 40 HG SER 40 5.719 15.239 19.266 94 H SEP 41 HN SEP 41 2.765 11.699 19.990 95 HA SEP 41 HA SEP 41 2.736 8.944 19.743 96 HB2 SEP 41 HB2 SEP 41 0.595 9.229 18.520 97 HB3 SEP 41 HB3 SEP 41 0.684 10.257 19.955 98 H LYS 42 HN LYS 42 3.692 11.327 17.372 99 HA LYS 42 HA LYS 42 3.571 9.616 15.095 100 HB2 LYS 42 HB2 LYS 42 3.609 12.117 15.006 101 HB3 LYS 42 HB3 LYS 42 5.295 12.068 15.496 102 HG2 LYS 42 HG2 LYS 42 4.411 10.567 13.073 103 HG3 LYS 42 HG3 LYS 42 4.670 12.308 12.989 104 HD2 LYS 42 HD2 LYS 42 6.957 12.068 13.660 105 HD3 LYS 42 HD3 LYS 42 6.728 10.355 14.011 106 HE2 LYS 42 HE2 LYS 42 7.873 10.615 11.898 107 HE3 LYS 42 HE3 LYS 42 6.265 9.949 11.628 108 HZ1 LYS 42 HZ1 LYS 42 5.495 12.144 10.987 109 HZ2 LYS 42 HZ2 LYS 42 6.806 11.679 10.025 110 HZ3 LYS 42 HZ3 LYS 42 7.029 12.799 11.272 111 H GLU 43 HN GLU 43 6.135 10.467 17.392 112 HA GLU 43 HA GLU 43 8.266 9.180 16.111 113 HB2 GLU 43 HB2 GLU 43 7.836 9.552 19.081 114 HB3 GLU 43 HB3 GLU 43 9.368 9.170 18.308 115 HG2 GLU 43 HG2 GLU 43 7.770 11.700 17.977 116 HG3 GLU 43 HG3 GLU 43 9.277 11.512 18.871 117 H MET 44 HN MET 44 5.832 7.948 18.347 118 HA MET 44 HA MET 44 7.012 5.302 18.404 119 HB2 MET 44 HB2 MET 44 4.480 6.424 19.608 120 HB3 MET 44 HB3 MET 44 5.005 4.759 19.810 121 HG2 MET 44 HG2 MET 44 6.876 5.386 21.075 122 HG3 MET 44 HG3 MET 44 6.747 7.073 20.583 123 HE1 MET 44 HE1 MET 44 3.734 7.747 20.879 124 HE2 MET 44 HE2 MET 44 4.986 8.784 21.561 125 HE3 MET 44 HE3 MET 44 3.612 8.293 22.552 126 H MET 45 HN MET 45 4.502 6.982 16.655 127 HA MET 45 HA MET 45 2.899 4.870 15.838 128 HB2 MET 45 HB2 MET 45 2.266 7.164 15.417 129 HB3 MET 45 HB3 MET 45 3.642 7.389 14.348 130 HG2 MET 45 HG2 MET 45 2.717 5.915 12.724 131 HG3 MET 45 HG3 MET 45 1.437 5.416 13.827 132 HE1 MET 45 HE1 MET 45 -0.854 8.535 14.003 133 HE2 MET 45 HE2 MET 45 0.462 8.169 15.118 134 HE3 MET 45 HE3 MET 45 -0.575 6.872 14.524 135 H SER 46 HN SER 46 5.998 5.973 14.487 136 HA SER 46 HA SER 46 5.875 4.219 12.238 137 HB2 SER 46 HB2 SER 46 8.227 5.651 13.516 138 HB3 SER 46 HB3 SER 46 8.335 4.727 12.018 139 HG SER 46 HG SER 46 7.344 7.233 12.457 140 H GLN 47 HN GLN 47 7.262 4.045 15.472 141 HA GLN 47 HA GLN 47 8.759 1.720 15.353 142 HB2 GLN 47 HB2 GLN 47 7.006 2.731 17.591 143 HB3 GLN 47 HB3 GLN 47 8.201 1.455 17.762 144 HG2 GLN 47 HG2 GLN 47 9.980 2.995 17.217 145 HG3 GLN 47 HG3 GLN 47 8.811 4.279 16.913 146 HE21 GLN 47 HE21 GLN 47 9.666 5.638 18.468 147 HE22 GLN 47 HE22 GLN 47 9.504 5.335 20.161 148 H ALA 48 HN ALA 48 5.284 2.052 16.070 149 HA ALA 48 HA ALA 48 4.825 -0.770 16.189 150 HB1 ALA 48 HB1 ALA 48 2.469 -0.176 16.381 151 HB2 ALA 48 HB2 ALA 48 2.845 1.492 15.953 152 HB3 ALA 48 HB3 ALA 48 3.458 0.809 17.459 153 H LEU 49 HN LEU 49 4.386 1.729 13.707 154 HA LEU 49 HA LEU 49 2.880 0.232 11.881 155 HB2 LEU 49 HB2 LEU 49 3.310 2.696 11.793 156 HB3 LEU 49 HB3 LEU 49 4.932 2.348 11.226 157 HG LEU 49 HG LEU 49 3.958 1.234 9.231 158 HD11 LEU 49 HD11 LEU 49 1.598 1.563 8.719 159 HD12 LEU 49 HD12 LEU 49 1.353 2.321 10.292 160 HD13 LEU 49 HD13 LEU 49 1.799 0.617 10.193 161 HD21 LEU 49 HD21 LEU 49 4.679 3.559 9.128 162 HD22 LEU 49 HD22 LEU 49 3.090 4.088 9.678 163 HD23 LEU 49 HD23 LEU 49 3.263 3.295 8.112 164 H LYS 50 HN LYS 50 6.398 0.578 12.233 165 HA LYS 50 HA LYS 50 7.016 -1.133 10.034 166 HB2 LYS 50 HB2 LYS 50 8.581 0.167 12.216 167 HB3 LYS 50 HB3 LYS 50 9.323 -1.141 11.306 168 HG2 LYS 50 HG2 LYS 50 9.881 1.087 10.422 169 HG3 LYS 50 HG3 LYS 50 9.053 0.067 9.244 170 HD2 LYS 50 HD2 LYS 50 6.920 1.218 9.863 171 HD3 LYS 50 HD3 LYS 50 7.869 2.321 10.862 172 HE2 LYS 50 HE2 LYS 50 7.408 3.325 8.703 173 HE3 LYS 50 HE3 LYS 50 9.133 3.011 8.876 174 HZ1 LYS 50 HZ1 LYS 50 8.950 1.109 7.471 175 HZ2 LYS 50 HZ2 LYS 50 8.200 2.400 6.678 176 HZ3 LYS 50 HZ3 LYS 50 7.261 1.213 7.432 177 H ALA 51 HN ALA 51 6.450 -1.617 13.449 178 HA ALA 51 HA ALA 51 7.559 -4.257 13.547 179 HB1 ALA 51 HB1 ALA 51 6.501 -4.409 15.752 180 HB2 ALA 51 HB2 ALA 51 5.613 -2.917 15.436 181 HB3 ALA 51 HB3 ALA 51 7.372 -2.886 15.567 182 H THR 52 HN THR 52 4.386 -2.901 12.849 183 HA THR 52 HA THR 52 3.033 -5.443 12.898 184 HB THR 52 HB THR 52 1.146 -4.172 11.827 185 HG1 THR 52 HG1 THR 52 1.411 -2.113 11.272 186 HG21 THR 52 HG21 THR 52 0.658 -2.792 13.815 187 HG22 THR 52 HG22 THR 52 2.324 -3.004 14.352 188 HG23 THR 52 HG23 THR 52 1.249 -4.398 14.243 189 H PHE 53 HN PHE 53 4.452 -3.316 10.462 190 HA PHE 53 HA PHE 53 3.751 -5.215 8.343 191 HB2 PHE 53 HB2 PHE 53 4.771 -2.375 8.303 192 HB3 PHE 53 HB3 PHE 53 4.760 -3.379 6.858 193 HD1 PHE 53 HD2 PHE 53 2.635 -1.753 9.396 194 HD2 PHE 53 HD1 PHE 53 2.755 -3.808 5.668 195 HE1 PHE 53 HE2 PHE 53 0.293 -1.127 8.979 196 HE2 PHE 53 HE1 PHE 53 0.414 -3.184 5.247 197 HZ PHE 53 HZ PHE 53 -0.821 -1.842 6.902 198 H SER 54 HN SER 54 5.332 -6.644 9.598 199 HA SER 54 HA SER 54 8.117 -6.117 9.466 200 HB2 SER 54 HB2 SER 54 6.638 -8.736 9.802 201 HB3 SER 54 HB3 SER 54 8.371 -8.521 10.038 202 HG SER 54 HG SER 54 7.988 -7.288 11.805 203 H GLY 55 HN GLY 55 5.850 -7.402 7.155 204 HA2 GLY 55 HA2 GLY 55 7.831 -8.719 5.529 205 HA3 GLY 55 HA1 GLY 55 6.155 -8.418 5.097 206 H PHE 56 HN PHE 56 6.762 -5.477 5.893 207 HA PHE 56 HA PHE 56 7.720 -4.735 3.225 208 HB2 PHE 56 HB2 PHE 56 5.535 -3.822 3.963 209 HB3 PHE 56 HB3 PHE 56 6.344 -3.007 5.298 210 HD1 PHE 56 HD1 PHE 56 7.164 -3.359 1.676 211 HD2 PHE 56 HD2 PHE 56 6.346 -0.736 4.926 212 HE1 PHE 56 HE1 PHE 56 7.612 -1.427 0.224 213 HE2 PHE 56 HE2 PHE 56 6.791 1.202 3.477 214 HZ PHE 56 HZ PHE 56 7.425 0.854 1.123 215 H THR 57 HN THR 57 8.216 -3.840 6.646 216 HA THR 57 HA THR 57 10.339 -2.062 6.238 217 HB THR 57 HB THR 57 9.999 -3.825 8.669 218 HG1 THR 57 HG1 THR 57 8.152 -2.800 8.858 219 HG21 THR 57 HG21 THR 57 11.244 -1.099 8.285 220 HG22 THR 57 HG22 THR 57 12.094 -2.603 8.645 221 HG23 THR 57 HG23 THR 57 11.010 -1.893 9.842 222 H LYS 58 HN LYS 58 10.340 -5.576 6.540 223 HA LYS 58 HA LYS 58 13.149 -5.882 6.739 224 HB2 LYS 58 HB2 LYS 58 10.951 -7.732 5.836 225 HB3 LYS 58 HB3 LYS 58 12.639 -8.223 5.828 226 HG2 LYS 58 HG2 LYS 58 12.794 -7.899 8.209 227 HG3 LYS 58 HG3 LYS 58 11.151 -7.258 8.261 228 HD2 LYS 58 HD2 LYS 58 11.067 -9.533 8.988 229 HD3 LYS 58 HD3 LYS 58 10.354 -9.460 7.375 230 HE2 LYS 58 HE2 LYS 58 12.504 -10.210 6.425 231 HE3 LYS 58 HE3 LYS 58 13.158 -10.344 8.057 232 HZ1 LYS 58 HZ1 LYS 58 11.483 -12.013 8.554 233 HZ2 LYS 58 HZ2 LYS 58 12.411 -12.483 7.221 234 HZ3 LYS 58 HZ3 LYS 58 10.848 -11.880 6.990 235 H GLU 59 HN GLU 59 10.954 -5.457 4.042 236 HA GLU 59 HA GLU 59 12.768 -6.177 1.971 237 HB2 GLU 59 HB2 GLU 59 10.384 -6.117 1.537 238 HB3 GLU 59 HB3 GLU 59 10.304 -4.415 1.968 239 HG2 GLU 59 HG2 GLU 59 11.743 -3.888 0.043 240 HG3 GLU 59 HG3 GLU 59 11.737 -5.591 -0.401 241 H GLN 60 HN GLN 60 11.988 -3.165 3.652 242 HA GLN 60 HA GLN 60 13.401 -1.365 2.047 243 HB2 GLN 60 HB2 GLN 60 13.084 -1.193 5.045 244 HB3 GLN 60 HB3 GLN 60 13.347 0.142 3.933 245 HG2 GLN 60 HG2 GLN 60 11.141 -0.433 2.884 246 HG3 GLN 60 HG3 GLN 60 10.890 -1.561 4.213 247 HE21 GLN 60 HE21 GLN 60 9.444 0.901 3.422 248 HE22 GLN 60 HE22 GLN 60 9.439 1.897 4.833 249 H GLN 61 HN GLN 61 14.527 -3.703 4.347 250 HA GLN 61 HA GLN 61 17.153 -2.516 4.622 251 HB2 GLN 61 HB2 GLN 61 16.209 -5.255 5.473 252 HB3 GLN 61 HB3 GLN 61 17.660 -4.427 6.020 253 HG2 GLN 61 HG2 GLN 61 16.405 -2.832 7.235 254 HG3 GLN 61 HG3 GLN 61 14.896 -3.347 6.483 255 HE21 GLN 61 HE21 GLN 61 13.865 -3.816 8.394 256 HE22 GLN 61 HE22 GLN 61 14.311 -5.145 9.404 257 H ARG 62 HN ARG 62 15.628 -4.654 2.412 258 HA ARG 62 HA ARG 62 18.093 -5.948 1.585 259 HB2 ARG 62 HB2 ARG 62 15.358 -6.100 0.307 260 HB3 ARG 62 HB3 ARG 62 16.712 -7.187 0.036 261 HG2 ARG 62 HG2 ARG 62 16.474 -8.199 2.120 262 HG3 ARG 62 HG3 ARG 62 15.501 -6.873 2.756 263 HD2 ARG 62 HD2 ARG 62 13.746 -7.493 1.066 264 HD3 ARG 62 HD3 ARG 62 14.695 -8.935 0.715 265 HE ARG 62 HE ARG 62 14.411 -9.252 3.297 266 HH11 ARG 62 HH11 ARG 62 11.994 -8.122 1.020 267 HH12 ARG 62 HH12 ARG 62 10.667 -8.742 1.939 268 HH21 ARG 62 HH21 ARG 62 12.655 -10.067 4.493 269 HH22 ARG 62 HH22 ARG 62 11.040 -9.845 3.910 270 H LEU 63 HN LEU 63 15.779 -3.574 0.311 271 HA LEU 63 HA LEU 63 17.585 -3.034 -1.958 272 HB2 LEU 63 HB2 LEU 63 14.705 -2.231 -1.600 273 HB3 LEU 63 HB3 LEU 63 15.680 -2.015 -3.040 274 HG LEU 63 HG LEU 63 15.863 -4.714 -2.669 275 HD11 LEU 63 HD11 LEU 63 13.573 -5.511 -2.253 276 HD12 LEU 63 HD12 LEU 63 13.100 -3.870 -1.815 277 HD13 LEU 63 HD13 LEU 63 14.289 -4.735 -0.842 278 HD21 LEU 63 HD21 LEU 63 14.215 -4.868 -4.496 279 HD22 LEU 63 HD22 LEU 63 15.426 -3.617 -4.776 280 HD23 LEU 63 HD23 LEU 63 13.805 -3.172 -4.242 281 H GLY 64 HN GLY 64 16.206 -1.590 0.919 282 HA2 GLY 64 HA2 GLY 64 17.185 0.320 1.937 283 HA3 GLY 64 HA1 GLY 64 17.771 0.830 0.363 284 H ILE 65 HN ILE 65 14.557 -0.201 0.199 285 HA ILE 65 HA ILE 65 13.473 2.166 -0.670 286 HB ILE 65 HB ILE 65 12.006 -0.015 0.821 287 HG12 ILE 65 HG12 ILE 65 12.356 0.405 -2.157 288 HG13 ILE 65 HG13 ILE 65 13.261 -0.763 -1.203 289 HG21 ILE 65 HG21 ILE 65 10.011 0.815 -0.370 290 HG22 ILE 65 HG22 ILE 65 10.965 2.165 -0.984 291 HG23 ILE 65 HG23 ILE 65 10.679 2.003 0.749 292 HD11 ILE 65 HD11 ILE 65 11.238 -1.969 -0.692 293 HD12 ILE 65 HD12 ILE 65 11.398 -1.771 -2.436 294 HD13 ILE 65 HD13 ILE 65 10.272 -0.758 -1.535 295 HA PRO 66 HA PRO 66 13.420 4.744 2.985 296 HB2 PRO 66 HB2 PRO 66 11.492 6.337 1.407 297 HB3 PRO 66 HB3 PRO 66 13.037 6.818 2.112 298 HG2 PRO 66 HG2 PRO 66 12.746 6.483 -0.527 299 HG3 PRO 66 HG3 PRO 66 14.252 6.055 0.305 300 HD2 PRO 66 HD2 PRO 66 12.056 4.281 -0.676 301 HD3 PRO 66 HD3 PRO 66 13.811 4.021 -0.698 302 H LYS 67 HN LYS 67 11.730 5.770 4.393 303 HA LYS 67 HA LYS 67 9.437 3.961 4.613 304 HB2 LYS 67 HB2 LYS 67 10.739 5.830 6.596 305 HB3 LYS 67 HB3 LYS 67 9.252 4.953 6.930 306 HG2 LYS 67 HG2 LYS 67 10.387 2.843 6.710 307 HG3 LYS 67 HG3 LYS 67 11.873 3.656 6.214 308 HD2 LYS 67 HD2 LYS 67 12.171 4.612 8.365 309 HD3 LYS 67 HD3 LYS 67 10.544 4.154 8.870 310 HE2 LYS 67 HE2 LYS 67 12.190 2.675 9.871 311 HE3 LYS 67 HE3 LYS 67 11.174 1.789 8.736 312 HZ1 LYS 67 HZ1 LYS 67 13.536 1.224 8.532 313 HZ2 LYS 67 HZ2 LYS 67 13.891 2.826 8.124 314 HZ3 LYS 67 HZ3 LYS 67 12.923 1.888 7.102 315 H ASP 68 HN ASP 68 9.262 5.925 2.595 316 HA ASP 68 HA ASP 68 6.762 7.091 3.208 317 HB2 ASP 68 HB2 ASP 68 8.328 8.619 4.482 318 HB3 ASP 68 HB3 ASP 68 8.970 9.126 2.923 319 HA PRO 69 HA PRO 69 6.729 6.651 -1.242 320 HB2 PRO 69 HB2 PRO 69 4.326 7.949 -1.600 321 HB3 PRO 69 HB3 PRO 69 4.489 6.251 -1.138 322 HG2 PRO 69 HG2 PRO 69 3.973 8.643 0.578 323 HG3 PRO 69 HG3 PRO 69 3.232 7.034 0.650 324 HD2 PRO 69 HD2 PRO 69 5.147 7.756 2.368 325 HD3 PRO 69 HD3 PRO 69 5.069 6.105 1.720 326 H ARG 70 HN ARG 70 5.899 9.823 0.247 327 HA ARG 70 HA ARG 70 6.212 11.420 -1.988 328 HB2 ARG 70 HB2 ARG 70 7.042 12.126 0.834 329 HB3 ARG 70 HB3 ARG 70 6.709 13.266 -0.459 330 HG2 ARG 70 HG2 ARG 70 4.462 13.041 -0.278 331 HG3 ARG 70 HG3 ARG 70 4.557 11.353 0.225 332 HD2 ARG 70 HD2 ARG 70 5.269 12.016 2.440 333 HD3 ARG 70 HD3 ARG 70 5.305 13.710 1.950 334 HE ARG 70 HE ARG 70 2.733 12.637 1.509 335 HH11 ARG 70 HH11 ARG 70 4.837 13.648 4.119 336 HH12 ARG 70 HH12 ARG 70 3.530 14.041 5.183 337 HH21 ARG 70 HH21 ARG 70 1.016 13.154 2.915 338 HH22 ARG 70 HH22 ARG 70 1.360 13.760 4.501 339 H GLN 71 HN GLN 71 8.718 10.065 0.105 340 HA GLN 71 HA GLN 71 10.789 11.343 -1.522 341 HB2 GLN 71 HB2 GLN 71 12.353 10.753 0.201 342 HB3 GLN 71 HB3 GLN 71 10.948 11.489 0.958 343 HG2 GLN 71 HG2 GLN 71 10.111 9.237 1.517 344 HG3 GLN 71 HG3 GLN 71 11.579 8.548 0.833 345 HE21 GLN 71 HE21 GLN 71 10.609 8.299 3.529 346 HE22 GLN 71 HE22 GLN 71 11.811 8.983 4.563 347 H TRP 72 HN TRP 72 9.242 9.288 -2.730 348 HA TRP 72 HA TRP 72 11.222 7.105 -2.985 349 HB2 TRP 72 HB2 TRP 72 8.229 7.201 -3.235 350 HB3 TRP 72 HB3 TRP 72 9.118 6.024 -4.183 351 HD1 TRP 72 HD1 TRP 72 10.816 6.450 -0.925 352 HE1 TRP 72 HE1 TRP 72 10.189 4.515 0.656 353 HE3 TRP 72 HE3 TRP 72 6.884 4.512 -3.541 354 HZ2 TRP 72 HZ2 TRP 72 8.276 2.444 0.773 355 HZ3 TRP 72 HZ3 TRP 72 5.707 2.556 -2.630 356 HH2 TRP 72 HH2 TRP 72 6.391 1.546 -0.521 357 H THR 73 HN THR 73 11.037 6.069 -5.293 358 HA THR 73 HA THR 73 10.606 8.088 -7.320 359 HB THR 73 HB THR 73 12.642 7.538 -8.514 360 HG1 THR 73 HG1 THR 73 13.523 5.654 -8.145 361 HG21 THR 73 HG21 THR 73 13.330 7.932 -5.603 362 HG22 THR 73 HG22 THR 73 12.779 9.217 -6.678 363 HG23 THR 73 HG23 THR 73 14.305 8.392 -6.999 364 H GLU 74 HN GLU 74 11.092 6.762 -9.622 365 HA GLU 74 HA GLU 74 8.852 5.178 -9.994 366 HB2 GLU 74 HB2 GLU 74 11.438 5.073 -11.563 367 HB3 GLU 74 HB3 GLU 74 9.887 4.445 -12.104 368 HG2 GLU 74 HG2 GLU 74 8.974 6.751 -11.955 369 HG3 GLU 74 HG3 GLU 74 10.599 7.321 -11.588 370 H THR 75 HN THR 75 12.126 4.185 -9.096 371 HA THR 75 HA THR 75 11.677 1.408 -9.362 372 HB THR 75 HB THR 75 13.694 2.739 -7.542 373 HG1 THR 75 HG1 THR 75 14.425 3.473 -9.405 374 HG21 THR 75 HG21 THR 75 13.493 0.371 -7.113 375 HG22 THR 75 HG22 THR 75 14.991 0.662 -7.998 376 HG23 THR 75 HG23 THR 75 13.582 0.012 -8.838 377 H HIS 76 HN HIS 76 11.745 3.495 -6.452 378 HA HIS 76 HA HIS 76 11.059 1.493 -4.608 379 HB2 HIS 76 HB2 HIS 76 10.537 4.467 -4.457 380 HB3 HIS 76 HB3 HIS 76 10.376 3.351 -3.106 381 HD1 HIS 76 HD1 HIS 76 12.541 5.824 -3.886 382 HD2 HIS 76 HD2 HIS 76 13.181 1.763 -3.290 383 HE1 HIS 76 HE1 HIS 76 14.970 5.610 -3.285 384 HE2 HIS 76 HE2 HIS 76 15.351 3.137 -2.986 385 H VAL 77 HN VAL 77 9.027 3.717 -6.460 386 HA VAL 77 HA VAL 77 6.534 3.122 -5.313 387 HB VAL 77 HB VAL 77 7.296 4.056 -8.085 388 HG11 VAL 77 HG11 VAL 77 4.533 3.710 -6.916 389 HG12 VAL 77 HG12 VAL 77 5.195 2.881 -8.324 390 HG13 VAL 77 HG13 VAL 77 4.897 4.619 -8.382 391 HG21 VAL 77 HG21 VAL 77 6.372 6.183 -7.251 392 HG22 VAL 77 HG22 VAL 77 7.731 5.616 -6.279 393 HG23 VAL 77 HG23 VAL 77 6.081 5.424 -5.686 394 H ARG 78 HN ARG 78 8.083 1.769 -8.250 395 HA ARG 78 HA ARG 78 6.021 -0.159 -8.729 396 HB2 ARG 78 HB2 ARG 78 7.498 0.738 -10.512 397 HB3 ARG 78 HB3 ARG 78 8.866 -0.087 -9.776 398 HG2 ARG 78 HG2 ARG 78 7.730 -2.242 -10.148 399 HG3 ARG 78 HG3 ARG 78 6.419 -1.383 -10.958 400 HD2 ARG 78 HD2 ARG 78 8.047 -0.517 -12.597 401 HD3 ARG 78 HD3 ARG 78 9.311 -1.462 -11.809 402 HE ARG 78 HE ARG 78 7.533 -3.361 -12.383 403 HH11 ARG 78 HH11 ARG 78 8.787 -0.767 -14.377 404 HH12 ARG 78 HH12 ARG 78 8.598 -1.651 -15.853 405 HH21 ARG 78 HH21 ARG 78 7.286 -4.514 -14.329 406 HH22 ARG 78 HH22 ARG 78 7.748 -3.778 -15.827 407 H ASP 79 HN ASP 79 9.288 -0.396 -7.272 408 HA ASP 79 HA ASP 79 9.278 -3.163 -6.938 409 HB2 ASP 79 HB2 ASP 79 11.231 -1.570 -6.541 410 HB3 ASP 79 HB3 ASP 79 10.534 -1.243 -4.955 411 H TRP 80 HN TRP 80 7.878 -0.608 -4.940 412 HA TRP 80 HA TRP 80 7.127 -2.313 -2.801 413 HB2 TRP 80 HB2 TRP 80 7.157 -0.029 -2.214 414 HB3 TRP 80 HB3 TRP 80 6.250 0.445 -3.646 415 HD1 TRP 80 HD1 TRP 80 5.590 -1.590 -0.397 416 HE1 TRP 80 HE1 TRP 80 3.175 -1.121 0.347 417 HE3 TRP 80 HE3 TRP 80 4.132 1.443 -4.245 418 HZ2 TRP 80 HZ2 TRP 80 0.942 0.347 -0.574 419 HZ3 TRP 80 HZ3 TRP 80 1.841 2.337 -4.237 420 HH2 TRP 80 HH2 TRP 80 0.283 1.801 -2.441 421 H VAL 81 HN VAL 81 5.087 -0.735 -5.280 422 HA VAL 81 HA VAL 81 2.755 -2.034 -5.084 423 HB VAL 81 HB VAL 81 4.260 -1.393 -7.626 424 HG11 VAL 81 HG11 VAL 81 2.686 -3.115 -8.212 425 HG12 VAL 81 HG12 VAL 81 2.074 -1.565 -8.788 426 HG13 VAL 81 HG13 VAL 81 1.397 -2.294 -7.332 427 HG21 VAL 81 HG21 VAL 81 1.946 -0.005 -6.286 428 HG22 VAL 81 HG22 VAL 81 2.804 0.532 -7.730 429 HG23 VAL 81 HG23 VAL 81 3.633 0.492 -6.176 430 H MET 82 HN MET 82 5.469 -3.312 -7.020 431 HA MET 82 HA MET 82 4.381 -5.767 -7.719 432 HB2 MET 82 HB2 MET 82 6.527 -4.733 -8.554 433 HB3 MET 82 HB3 MET 82 7.292 -5.284 -7.070 434 HG2 MET 82 HG2 MET 82 6.959 -7.561 -7.644 435 HG3 MET 82 HG3 MET 82 5.907 -7.132 -8.992 436 HE1 MET 82 HE1 MET 82 7.567 -4.596 -10.159 437 HE2 MET 82 HE2 MET 82 6.779 -5.818 -11.158 438 HE3 MET 82 HE3 MET 82 8.471 -5.408 -11.437 439 H TRP 83 HN TRP 83 6.309 -4.911 -4.861 440 HA TRP 83 HA TRP 83 6.442 -7.436 -3.676 441 HB2 TRP 83 HB2 TRP 83 7.874 -5.811 -2.790 442 HB3 TRP 83 HB3 TRP 83 6.587 -4.630 -2.603 443 HD1 TRP 83 HD1 TRP 83 8.221 -7.587 -0.844 444 HE1 TRP 83 HE1 TRP 83 7.371 -7.683 1.580 445 HE3 TRP 83 HE3 TRP 83 4.543 -4.049 -1.136 446 HZ2 TRP 83 HZ2 TRP 83 5.390 -6.429 3.160 447 HZ3 TRP 83 HZ3 TRP 83 3.215 -3.558 0.875 448 HH2 TRP 83 HH2 TRP 83 3.632 -4.724 2.979 449 H ALA 84 HN ALA 84 3.907 -4.985 -3.587 450 HA ALA 84 HA ALA 84 2.364 -6.304 -1.552 451 HB1 ALA 84 HB1 ALA 84 0.643 -4.650 -2.068 452 HB2 ALA 84 HB2 ALA 84 1.541 -4.144 -3.500 453 HB3 ALA 84 HB3 ALA 84 2.221 -3.881 -1.894 454 H VAL 85 HN VAL 85 2.767 -6.719 -4.932 455 HA VAL 85 HA VAL 85 0.177 -7.918 -5.408 456 HB VAL 85 HB VAL 85 2.630 -7.801 -7.171 457 HG11 VAL 85 HG11 VAL 85 -0.189 -8.679 -7.783 458 HG12 VAL 85 HG12 VAL 85 1.262 -9.681 -7.806 459 HG13 VAL 85 HG13 VAL 85 1.061 -8.393 -8.993 460 HG21 VAL 85 HG21 VAL 85 1.436 -6.049 -8.372 461 HG22 VAL 85 HG22 VAL 85 1.666 -5.605 -6.684 462 HG23 VAL 85 HG23 VAL 85 0.093 -6.170 -7.235 463 H ASN 86 HN ASN 86 3.473 -8.935 -4.739 464 HA ASN 86 HA ASN 86 2.856 -11.744 -5.155 465 HB2 ASN 86 HB2 ASN 86 5.382 -10.363 -4.219 466 HB3 ASN 86 HB3 ASN 86 5.232 -12.097 -4.481 467 HD21 ASN 86 HD21 ASN 86 6.799 -12.140 -6.073 468 HD22 ASN 86 HD22 ASN 86 6.546 -11.472 -7.646 469 H GLU 87 HN GLU 87 3.372 -9.482 -2.505 470 HA GLU 87 HA GLU 87 3.438 -11.463 -0.444 471 HB2 GLU 87 HB2 GLU 87 4.429 -9.137 -0.319 472 HB3 GLU 87 HB3 GLU 87 2.790 -8.526 -0.149 473 HG2 GLU 87 HG2 GLU 87 3.420 -10.666 1.717 474 HG3 GLU 87 HG3 GLU 87 4.463 -9.256 1.888 475 H PHE 88 HN PHE 88 0.929 -9.345 -1.803 476 HA PHE 88 HA PHE 88 -1.064 -10.599 -0.057 477 HB2 PHE 88 HB2 PHE 88 -1.239 -8.149 -1.807 478 HB3 PHE 88 HB3 PHE 88 -2.584 -8.801 -0.880 479 HD1 PHE 88 HD2 PHE 88 -2.596 -8.666 1.555 480 HD2 PHE 88 HD1 PHE 88 0.536 -6.934 -0.746 481 HE1 PHE 88 HE2 PHE 88 -1.903 -7.337 3.505 482 HE2 PHE 88 HE1 PHE 88 1.235 -5.602 1.200 483 HZ PHE 88 HZ PHE 88 0.013 -5.801 3.328 484 H SER 89 HN SER 89 0.253 -11.456 -2.850 485 HA SER 89 HA SER 89 -0.399 -12.442 -4.805 486 HB2 SER 89 HB2 SER 89 -2.487 -13.532 -2.903 487 HB3 SER 89 HB3 SER 89 -2.104 -14.221 -4.480 488 HG SER 89 HG SER 89 -0.600 -14.211 -2.118 489 H LEU 90 HN LEU 90 -1.130 -9.990 -5.169 490 HA LEU 90 HA LEU 90 -3.970 -9.736 -5.578 491 HB2 LEU 90 HB2 LEU 90 -1.750 -7.827 -6.296 492 HB3 LEU 90 HB3 LEU 90 -3.462 -7.459 -6.306 493 HG LEU 90 HG LEU 90 -1.798 -8.108 -3.870 494 HD11 LEU 90 HD11 LEU 90 -2.061 -5.831 -3.255 495 HD12 LEU 90 HD12 LEU 90 -3.182 -5.534 -4.582 496 HD13 LEU 90 HD13 LEU 90 -1.480 -5.853 -4.922 497 HD21 LEU 90 HD21 LEU 90 -4.722 -7.395 -4.079 498 HD22 LEU 90 HD22 LEU 90 -3.808 -7.590 -2.583 499 HD23 LEU 90 HD23 LEU 90 -4.068 -8.975 -3.643 500 H LYS 91 HN LYS 91 -4.635 -8.657 -7.774 501 HA LYS 91 HA LYS 91 -3.190 -9.705 -10.061 502 HB2 LYS 91 HB2 LYS 91 -5.054 -10.989 -10.948 503 HB3 LYS 91 HB3 LYS 91 -4.586 -11.609 -9.372 504 HG2 LYS 91 HG2 LYS 91 -6.848 -9.664 -9.679 505 HG3 LYS 91 HG3 LYS 91 -7.076 -11.399 -9.896 506 HD2 LYS 91 HD2 LYS 91 -6.212 -11.785 -7.630 507 HD3 LYS 91 HD3 LYS 91 -6.013 -10.046 -7.415 508 HE2 LYS 91 HE2 LYS 91 -8.637 -11.414 -7.992 509 HE3 LYS 91 HE3 LYS 91 -8.084 -10.947 -6.385 510 HZ1 LYS 91 HZ1 LYS 91 -8.594 -9.099 -8.657 511 HZ2 LYS 91 HZ2 LYS 91 -8.026 -8.636 -7.132 512 HZ3 LYS 91 HZ3 LYS 91 -9.576 -9.294 -7.292 513 H GLY 92 HN GLY 92 -3.858 -8.846 -12.076 514 HA2 GLY 92 HA2 GLY 92 -4.976 -7.387 -13.506 515 HA3 GLY 92 HA1 GLY 92 -6.003 -6.901 -12.170 516 H VAL 93 HN VAL 93 -2.954 -6.616 -10.975 517 HA VAL 93 HA VAL 93 -2.985 -3.760 -11.240 518 HB VAL 93 HB VAL 93 -2.346 -4.835 -9.123 519 HG11 VAL 93 HG11 VAL 93 -0.657 -6.307 -8.873 520 HG12 VAL 93 HG12 VAL 93 0.353 -5.529 -10.091 521 HG13 VAL 93 HG13 VAL 93 -0.954 -6.605 -10.584 522 HG21 VAL 93 HG21 VAL 93 -1.583 -2.569 -9.578 523 HG22 VAL 93 HG22 VAL 93 -0.142 -3.199 -10.375 524 HG23 VAL 93 HG23 VAL 93 -0.376 -3.456 -8.646 525 H ASP 94 HN ASP 94 -1.754 -2.482 -12.484 526 HA ASP 94 HA ASP 94 0.159 -3.795 -14.297 527 HB2 ASP 94 HB2 ASP 94 -1.446 -1.261 -14.693 528 HB3 ASP 94 HB3 ASP 94 -0.303 -1.931 -15.848 529 H PHE 95 HN PHE 95 2.210 -3.031 -14.472 530 HA PHE 95 HA PHE 95 3.072 -1.097 -12.462 531 HB2 PHE 95 HB2 PHE 95 4.686 -2.810 -14.376 532 HB3 PHE 95 HB3 PHE 95 5.362 -1.779 -13.118 533 HD1 PHE 95 HD2 PHE 95 4.618 -2.259 -10.698 534 HD2 PHE 95 HD1 PHE 95 4.148 -5.015 -13.907 535 HE1 PHE 95 HE2 PHE 95 4.418 -4.100 -9.085 536 HE2 PHE 95 HE1 PHE 95 3.946 -6.861 -12.296 537 HZ PHE 95 HZ PHE 95 4.081 -6.405 -9.880 538 H GLN 96 HN GLN 96 2.539 -1.257 -15.898 539 HA GLN 96 HA GLN 96 4.145 0.895 -16.743 540 HB2 GLN 96 HB2 GLN 96 1.473 -0.043 -17.813 541 HB3 GLN 96 HB3 GLN 96 2.552 1.072 -18.639 542 HG2 GLN 96 HG2 GLN 96 4.253 -0.658 -18.790 543 HG3 GLN 96 HG3 GLN 96 3.206 -1.777 -17.918 544 HE21 GLN 96 HE21 GLN 96 3.752 -0.100 -20.922 545 HE22 GLN 96 HE22 GLN 96 2.653 -1.035 -21.873 546 H LYS 97 HN LYS 97 1.005 0.745 -15.202 547 HA LYS 97 HA LYS 97 0.266 3.484 -15.528 548 HB2 LYS 97 HB2 LYS 97 -0.645 1.238 -13.750 549 HB3 LYS 97 HB3 LYS 97 -1.242 2.874 -13.518 550 HG2 LYS 97 HG2 LYS 97 -2.781 1.565 -14.861 551 HG3 LYS 97 HG3 LYS 97 -2.104 2.899 -15.797 552 HD2 LYS 97 HD2 LYS 97 -0.626 1.433 -16.958 553 HD3 LYS 97 HD3 LYS 97 -1.016 0.092 -15.882 554 HE2 LYS 97 HE2 LYS 97 -3.318 0.097 -16.719 555 HE3 LYS 97 HE3 LYS 97 -2.921 1.436 -17.796 556 HZ1 LYS 97 HZ1 LYS 97 -1.356 0.024 -18.948 557 HZ2 LYS 97 HZ2 LYS 97 -2.877 -0.714 -18.929 558 HZ3 LYS 97 HZ3 LYS 97 -1.662 -1.255 -17.884 559 H PHE 98 HN PHE 98 2.121 1.694 -13.108 560 HA PHE 98 HA PHE 98 2.342 4.098 -11.450 561 HB2 PHE 98 HB2 PHE 98 3.183 1.242 -10.915 562 HB3 PHE 98 HB3 PHE 98 3.402 2.578 -9.790 563 HD1 PHE 98 HD1 PHE 98 1.058 3.997 -9.553 564 HD2 PHE 98 HD2 PHE 98 1.460 -0.157 -10.386 565 HE1 PHE 98 HE1 PHE 98 -1.188 3.602 -8.636 566 HE2 PHE 98 HE2 PHE 98 -0.788 -0.561 -9.473 567 HZ PHE 98 HZ PHE 98 -2.114 1.323 -8.595 568 H CYS 99 HN CYS 99 3.711 3.981 -14.022 569 HA CYS 99 HA CYS 99 6.513 3.602 -13.354 570 HB2 CYS 99 HB2 CYS 99 5.606 2.900 -15.570 571 HB3 CYS 99 HB3 CYS 99 5.280 4.590 -15.937 572 HG CYS 99 HG CYS 99 8.427 4.265 -15.042 573 H MET 100 HN MET 100 6.117 5.332 -11.644 574 HA MET 100 HA MET 100 7.268 7.808 -12.592 575 HB2 MET 100 HB2 MET 100 5.542 9.288 -11.871 576 HB3 MET 100 HB3 MET 100 4.760 8.081 -12.883 577 HG2 MET 100 HG2 MET 100 4.200 6.868 -10.711 578 HG3 MET 100 HG3 MET 100 4.669 8.360 -9.898 579 HE1 MET 100 HE1 MET 100 1.037 7.785 -12.664 580 HE2 MET 100 HE2 MET 100 2.083 6.503 -12.054 581 HE3 MET 100 HE3 MET 100 2.681 7.623 -13.278 582 H SER 101 HN SER 101 7.677 9.318 -10.709 583 HA SER 101 HA SER 101 8.912 7.812 -8.599 584 HB2 SER 101 HB2 SER 101 8.595 10.807 -8.999 585 HB3 SER 101 HB3 SER 101 9.572 10.063 -7.733 586 HG SER 101 HG SER 101 10.977 9.333 -9.226 587 H GLY 102 HN GLY 102 8.591 8.276 -6.303 588 HA2 GLY 102 HA2 GLY 102 5.977 7.756 -5.470 589 HA3 GLY 102 HA1 GLY 102 7.286 8.275 -4.423 590 H ALA 103 HN ALA 103 7.773 10.829 -5.494 591 HA ALA 103 HA ALA 103 5.950 12.427 -4.129 592 HB1 ALA 103 HB1 ALA 103 7.697 13.218 -6.463 593 HB2 ALA 103 HB2 ALA 103 8.196 13.166 -4.772 594 HB3 ALA 103 HB3 ALA 103 6.964 14.316 -5.293 595 H ALA 104 HN ALA 104 6.015 11.467 -7.541 596 HA ALA 104 HA ALA 104 3.814 13.092 -8.353 597 HB1 ALA 104 HB1 ALA 104 4.902 10.590 -9.647 598 HB2 ALA 104 HB2 ALA 104 5.491 12.227 -9.935 599 HB3 ALA 104 HB3 ALA 104 3.847 11.785 -10.401 600 H LEU 105 HN LEU 105 4.174 9.700 -7.399 601 HA LEU 105 HA LEU 105 1.584 8.787 -7.844 602 HB2 LEU 105 HB2 LEU 105 3.700 7.505 -7.159 603 HB3 LEU 105 HB3 LEU 105 3.283 7.933 -5.512 604 HG LEU 105 HG LEU 105 1.086 6.777 -5.845 605 HD11 LEU 105 HD11 LEU 105 0.976 6.868 -8.269 606 HD12 LEU 105 HD12 LEU 105 0.903 5.197 -7.711 607 HD13 LEU 105 HD13 LEU 105 2.399 5.835 -8.391 608 HD21 LEU 105 HD21 LEU 105 2.740 5.615 -4.626 609 HD22 LEU 105 HD22 LEU 105 3.673 5.265 -6.079 610 HD23 LEU 105 HD23 LEU 105 2.126 4.466 -5.813 611 H CYS 106 HN CYS 106 2.943 10.374 -4.963 612 HA CYS 106 HA CYS 106 0.585 10.198 -3.399 613 HB2 CYS 106 HB2 CYS 106 2.920 12.119 -3.226 614 HB3 CYS 106 HB3 CYS 106 1.658 11.972 -2.007 615 HG CYS 106 HG CYS 106 2.328 9.130 -1.700 616 H ALA 107 HN ALA 107 1.871 12.699 -5.554 617 HA ALA 107 HA ALA 107 -0.083 14.670 -5.046 618 HB1 ALA 107 HB1 ALA 107 1.526 14.231 -7.559 619 HB2 ALA 107 HB2 ALA 107 2.047 15.154 -6.150 620 HB3 ALA 107 HB3 ALA 107 0.677 15.710 -7.112 621 H LEU 108 HN LEU 108 -0.114 11.821 -7.066 622 HA LEU 108 HA LEU 108 -2.225 12.506 -8.793 623 HB2 LEU 108 HB2 LEU 108 -1.093 9.899 -7.844 624 HB3 LEU 108 HB3 LEU 108 -2.508 9.932 -8.870 625 HG LEU 108 HG LEU 108 0.215 11.026 -9.571 626 HD11 LEU 108 HD11 LEU 108 0.169 8.615 -9.595 627 HD12 LEU 108 HD12 LEU 108 0.188 9.220 -11.251 628 HD13 LEU 108 HD13 LEU 108 -1.314 8.621 -10.548 629 HD21 LEU 108 HD21 LEU 108 -0.748 11.379 -11.809 630 HD22 LEU 108 HD22 LEU 108 -1.520 12.384 -10.583 631 HD23 LEU 108 HD23 LEU 108 -2.336 10.939 -11.180 632 H GLY 109 HN GLY 109 -2.217 11.150 -5.533 633 HA2 GLY 109 HA2 GLY 109 -3.931 11.107 -3.988 634 HA3 GLY 109 HA1 GLY 109 -4.979 11.855 -5.184 635 H LYS 110 HN LYS 110 -6.242 10.102 -3.766 636 HA LYS 110 HA LYS 110 -6.059 7.388 -4.404 637 HB2 LYS 110 HB2 LYS 110 -7.386 8.259 -2.528 638 HB3 LYS 110 HB3 LYS 110 -8.527 8.967 -3.660 639 HG2 LYS 110 HG2 LYS 110 -9.100 6.734 -4.479 640 HG3 LYS 110 HG3 LYS 110 -7.964 6.027 -3.331 641 HD2 LYS 110 HD2 LYS 110 -9.878 5.837 -2.111 642 HD3 LYS 110 HD3 LYS 110 -9.387 7.455 -1.613 643 HE2 LYS 110 HE2 LYS 110 -11.383 6.776 -3.772 644 HE3 LYS 110 HE3 LYS 110 -11.754 7.399 -2.168 645 HZ1 LYS 110 HZ1 LYS 110 -11.840 9.206 -3.667 646 HZ2 LYS 110 HZ2 LYS 110 -10.353 8.808 -4.367 647 HZ3 LYS 110 HZ3 LYS 110 -10.410 9.396 -2.782 648 H GLU 111 HN GLU 111 -8.235 9.851 -5.812 649 HA GLU 111 HA GLU 111 -9.615 8.331 -7.632 650 HB2 GLU 111 HB2 GLU 111 -9.813 10.385 -9.005 651 HB3 GLU 111 HB3 GLU 111 -10.144 10.654 -7.302 652 HG2 GLU 111 HG2 GLU 111 -7.845 11.550 -7.050 653 HG3 GLU 111 HG3 GLU 111 -7.633 11.383 -8.792 654 H CYS 112 HN CYS 112 -6.465 9.919 -8.289 655 HA CYS 112 HA CYS 112 -6.260 8.813 -10.900 656 HB2 CYS 112 HB2 CYS 112 -4.218 10.087 -9.085 657 HB3 CYS 112 HB3 CYS 112 -3.859 9.570 -10.728 658 HG CYS 112 HG CYS 112 -4.366 12.445 -10.291 659 H PHE 113 HN PHE 113 -4.927 7.851 -7.738 660 HA PHE 113 HA PHE 113 -3.243 5.807 -8.668 661 HB2 PHE 113 HB2 PHE 113 -3.266 6.828 -6.356 662 HB3 PHE 113 HB3 PHE 113 -4.681 5.839 -6.011 663 HD1 PHE 113 HD2 PHE 113 -4.486 3.405 -5.863 664 HD2 PHE 113 HD1 PHE 113 -1.083 5.884 -6.469 665 HE1 PHE 113 HE2 PHE 113 -3.018 1.538 -5.219 666 HE2 PHE 113 HE1 PHE 113 0.392 4.023 -5.823 667 HZ PHE 113 HZ PHE 113 -0.574 1.848 -5.199 668 H LEU 114 HN LEU 114 -6.636 5.703 -7.573 669 HA LEU 114 HA LEU 114 -6.946 2.917 -7.899 670 HB2 LEU 114 HB2 LEU 114 -8.792 5.222 -7.552 671 HB3 LEU 114 HB3 LEU 114 -9.472 3.724 -8.159 672 HG LEU 114 HG LEU 114 -8.741 2.536 -6.167 673 HD11 LEU 114 HD11 LEU 114 -7.725 3.730 -4.284 674 HD12 LEU 114 HD12 LEU 114 -7.610 5.184 -5.274 675 HD13 LEU 114 HD13 LEU 114 -6.686 3.747 -5.709 676 HD21 LEU 114 HD21 LEU 114 -10.164 3.652 -4.513 677 HD22 LEU 114 HD22 LEU 114 -10.918 3.621 -6.107 678 HD23 LEU 114 HD23 LEU 114 -10.177 5.107 -5.511 679 H GLU 115 HN GLU 115 -7.051 5.560 -10.157 680 HA GLU 115 HA GLU 115 -8.346 4.087 -12.253 681 HB2 GLU 115 HB2 GLU 115 -6.791 6.670 -12.194 682 HB3 GLU 115 HB3 GLU 115 -7.392 5.978 -13.694 683 HG2 GLU 115 HG2 GLU 115 -9.087 6.755 -11.331 684 HG3 GLU 115 HG3 GLU 115 -8.875 7.706 -12.800 685 H LEU 116 HN LEU 116 -5.138 4.291 -11.009 686 HA LEU 116 HA LEU 116 -3.848 3.280 -13.402 687 HB2 LEU 116 HB2 LEU 116 -2.815 3.804 -10.613 688 HB3 LEU 116 HB3 LEU 116 -1.819 3.255 -11.944 689 HG LEU 116 HG LEU 116 -3.326 5.869 -11.902 690 HD11 LEU 116 HD11 LEU 116 -1.136 6.906 -11.574 691 HD12 LEU 116 HD12 LEU 116 -0.400 5.310 -11.433 692 HD13 LEU 116 HD13 LEU 116 -1.564 5.855 -10.224 693 HD21 LEU 116 HD21 LEU 116 -1.237 4.805 -13.798 694 HD22 LEU 116 HD22 LEU 116 -1.958 6.413 -13.849 695 HD23 LEU 116 HD23 LEU 116 -2.955 4.990 -14.147 696 H ALA 117 HN ALA 117 -4.800 2.106 -10.207 697 HA ALA 117 HA ALA 117 -3.908 -0.606 -10.925 698 HB1 ALA 117 HB1 ALA 117 -4.597 -0.850 -8.341 699 HB2 ALA 117 HB2 ALA 117 -4.166 0.859 -8.377 700 HB3 ALA 117 HB3 ALA 117 -2.991 -0.358 -8.876 701 HA PRO 118 HA PRO 118 -7.959 -2.258 -11.438 702 HB2 PRO 118 HB2 PRO 118 -7.871 -4.495 -9.809 703 HB3 PRO 118 HB3 PRO 118 -7.241 -4.412 -11.456 704 HG2 PRO 118 HG2 PRO 118 -5.796 -4.137 -8.859 705 HG3 PRO 118 HG3 PRO 118 -5.297 -4.982 -10.334 706 HD2 PRO 118 HD2 PRO 118 -4.291 -2.584 -9.715 707 HD3 PRO 118 HD3 PRO 118 -4.667 -3.011 -11.397 708 H ASP 119 HN ASP 119 -9.876 -3.127 -10.211 709 HA ASP 119 HA ASP 119 -10.792 -1.242 -8.360 710 HB2 ASP 119 HB2 ASP 119 -12.279 -2.435 -9.854 711 HB3 ASP 119 HB3 ASP 119 -11.886 -3.956 -9.062 712 H PHE 120 HN PHE 120 -8.850 -3.998 -7.727 713 HA PHE 120 HA PHE 120 -9.843 -3.977 -4.982 714 HB2 PHE 120 HB2 PHE 120 -8.334 -6.242 -6.307 715 HB3 PHE 120 HB3 PHE 120 -8.965 -6.261 -4.664 716 HD1 PHE 120 HD2 PHE 120 -9.819 -6.405 -8.219 717 HD2 PHE 120 HD1 PHE 120 -11.322 -6.546 -4.240 718 HE1 PHE 120 HE2 PHE 120 -11.958 -7.280 -9.063 719 HE2 PHE 120 HE1 PHE 120 -13.464 -7.422 -5.077 720 HZ PHE 120 HZ PHE 120 -13.784 -7.790 -7.491 721 H VAL 121 HN VAL 121 -6.742 -4.438 -6.711 722 HA VAL 121 HA VAL 121 -5.123 -4.113 -4.429 723 HB VAL 121 HB VAL 121 -3.258 -4.037 -5.810 724 HG11 VAL 121 HG11 VAL 121 -3.548 -5.757 -7.433 725 HG12 VAL 121 HG12 VAL 121 -5.270 -5.409 -7.575 726 HG13 VAL 121 HG13 VAL 121 -4.631 -6.097 -6.084 727 HG21 VAL 121 HG21 VAL 121 -3.597 -2.111 -7.104 728 HG22 VAL 121 HG22 VAL 121 -5.027 -2.787 -7.881 729 HG23 VAL 121 HG23 VAL 121 -3.429 -3.429 -8.262 730 H GLY 122 HN GLY 122 -6.520 -1.742 -6.630 731 HA2 GLY 122 HA2 GLY 122 -5.005 0.505 -6.036 732 HA3 GLY 122 HA1 GLY 122 -6.710 0.540 -6.459 733 H ASP 123 HN ASP 123 -7.621 -0.946 -4.161 734 HA ASP 123 HA ASP 123 -7.813 1.199 -2.285 735 HB2 ASP 123 HB2 ASP 123 -9.649 -0.443 -2.802 736 HB3 ASP 123 HB3 ASP 123 -8.728 -1.656 -1.919 737 H ILE 124 HN ILE 124 -6.243 -1.984 -2.273 738 HA ILE 124 HA ILE 124 -5.300 -1.925 0.376 739 HB ILE 124 HB ILE 124 -3.987 -3.316 -1.958 740 HG12 ILE 124 HG12 ILE 124 -6.137 -4.376 -0.110 741 HG13 ILE 124 HG13 ILE 124 -6.412 -3.853 -1.768 742 HG21 ILE 124 HG21 ILE 124 -3.918 -3.866 1.004 743 HG22 ILE 124 HG22 ILE 124 -2.592 -3.258 0.014 744 HG23 ILE 124 HG23 ILE 124 -3.202 -4.893 -0.237 745 HD11 ILE 124 HD11 ILE 124 -4.648 -6.127 -0.897 746 HD12 ILE 124 HD12 ILE 124 -4.896 -5.594 -2.561 747 HD13 ILE 124 HD13 ILE 124 -6.244 -6.261 -1.638 748 H LEU 125 HN LEU 125 -3.551 -1.270 -2.648 749 HA LEU 125 HA LEU 125 -1.138 -0.494 -1.490 750 HB2 LEU 125 HB2 LEU 125 -2.411 -0.068 -4.154 751 HB3 LEU 125 HB3 LEU 125 -0.978 0.861 -3.760 752 HG LEU 125 HG LEU 125 0.275 -1.217 -3.388 753 HD11 LEU 125 HD11 LEU 125 -2.261 -2.581 -4.279 754 HD12 LEU 125 HD12 LEU 125 -1.543 -2.659 -2.670 755 HD13 LEU 125 HD13 LEU 125 -0.699 -3.365 -4.047 756 HD21 LEU 125 HD21 LEU 125 -1.129 -1.186 -6.054 757 HD22 LEU 125 HD22 LEU 125 0.454 -1.877 -5.697 758 HD23 LEU 125 HD23 LEU 125 0.212 -0.133 -5.603 759 H TRP 126 HN TRP 126 -3.657 1.733 -2.815 760 HA TRP 126 HA TRP 126 -2.294 4.037 -1.916 761 HB2 TRP 126 HB2 TRP 126 -3.823 4.862 -3.371 762 HB3 TRP 126 HB3 TRP 126 -4.864 3.457 -3.199 763 HD1 TRP 126 HD1 TRP 126 -4.565 7.065 -2.179 764 HE1 TRP 126 HE1 TRP 126 -6.595 7.730 -0.748 765 HE3 TRP 126 HE3 TRP 126 -6.548 2.431 -1.388 766 HZ2 TRP 126 HZ2 TRP 126 -8.753 6.454 0.552 767 HZ3 TRP 126 HZ3 TRP 126 -8.593 2.233 -0.037 768 HH2 TRP 126 HH2 TRP 126 -9.671 4.204 0.914 769 H GLU 127 HN GLU 127 -4.541 1.927 -0.190 770 HA GLU 127 HA GLU 127 -5.103 3.762 1.908 771 HB2 GLU 127 HB2 GLU 127 -6.339 1.603 1.491 772 HB3 GLU 127 HB3 GLU 127 -4.960 0.736 2.153 773 HG2 GLU 127 HG2 GLU 127 -6.759 1.035 3.788 774 HG3 GLU 127 HG3 GLU 127 -5.260 1.815 4.291 775 H HIS 128 HN HIS 128 -2.692 1.111 1.697 776 HA HIS 128 HA HIS 128 -1.369 1.816 4.107 777 HB2 HIS 128 HB2 HIS 128 -1.177 -0.435 3.217 778 HB3 HIS 128 HB3 HIS 128 -0.428 0.178 1.750 779 HD1 HIS 128 HD1 HIS 128 1.984 -0.294 1.750 780 HD2 HIS 128 HD2 HIS 128 0.594 0.537 5.574 781 HE1 HIS 128 HE1 HIS 128 3.997 -0.468 3.246 782 HE2 HIS 128 HE2 HIS 128 3.108 -0.075 5.571 783 H LEU 129 HN LEU 129 -1.044 2.782 0.765 784 HA LEU 129 HA LEU 129 1.488 3.984 0.803 785 HB2 LEU 129 HB2 LEU 129 0.041 3.557 -1.212 786 HB3 LEU 129 HB3 LEU 129 -0.936 4.933 -0.739 787 HG LEU 129 HG LEU 129 1.096 6.375 -0.956 788 HD11 LEU 129 HD11 LEU 129 2.807 4.683 -0.671 789 HD12 LEU 129 HD12 LEU 129 2.997 5.486 -2.230 790 HD13 LEU 129 HD13 LEU 129 2.284 3.877 -2.149 791 HD21 LEU 129 HD21 LEU 129 -0.566 6.246 -2.733 792 HD22 LEU 129 HD22 LEU 129 0.263 4.850 -3.420 793 HD23 LEU 129 HD23 LEU 129 1.056 6.426 -3.399 794 H GLU 130 HN GLU 130 -1.726 5.344 1.576 795 HA GLU 130 HA GLU 130 -0.857 7.953 2.123 796 HB2 GLU 130 HB2 GLU 130 -3.223 6.447 3.238 797 HB3 GLU 130 HB3 GLU 130 -2.975 8.177 3.418 798 HG2 GLU 130 HG2 GLU 130 -3.295 8.566 1.122 799 HG3 GLU 130 HG3 GLU 130 -3.155 6.851 0.734 800 H ILE 131 HN ILE 131 -1.235 5.105 4.157 801 HA ILE 131 HA ILE 131 -0.703 6.195 6.658 802 HB ILE 131 HB ILE 131 -0.064 3.461 5.543 803 HG12 ILE 131 HG12 ILE 131 -2.244 4.343 7.443 804 HG13 ILE 131 HG13 ILE 131 -2.464 4.173 5.705 805 HG21 ILE 131 HG21 ILE 131 0.151 2.726 7.894 806 HG22 ILE 131 HG22 ILE 131 0.112 4.417 8.392 807 HG23 ILE 131 HG23 ILE 131 1.432 3.824 7.383 808 HD11 ILE 131 HD11 ILE 131 -3.309 2.239 6.899 809 HD12 ILE 131 HD12 ILE 131 -1.719 1.968 7.614 810 HD13 ILE 131 HD13 ILE 131 -1.945 1.796 5.873 811 H LEU 132 HN LEU 132 1.523 4.978 4.185 812 HA LEU 132 HA LEU 132 3.935 5.329 5.606 813 HB2 LEU 132 HB2 LEU 132 3.373 5.367 2.644 814 HB3 LEU 132 HB3 LEU 132 4.980 5.329 3.346 815 HG LEU 132 HG LEU 132 2.904 3.183 3.794 816 HD11 LEU 132 HD11 LEU 132 5.207 3.253 1.849 817 HD12 LEU 132 HD12 LEU 132 3.492 3.261 1.441 818 HD13 LEU 132 HD13 LEU 132 4.210 1.844 2.207 819 HD21 LEU 132 HD21 LEU 132 4.608 3.359 5.543 820 HD22 LEU 132 HD22 LEU 132 5.874 3.246 4.320 821 HD23 LEU 132 HD23 LEU 132 4.796 1.879 4.603 822 H GLN 133 HN GLN 133 2.117 7.495 3.447 823 HA GLN 133 HA GLN 133 3.923 9.601 3.246 824 HB2 GLN 133 HB2 GLN 133 0.913 9.792 3.398 825 HB3 GLN 133 HB3 GLN 133 1.991 11.029 2.773 826 HG2 GLN 133 HG2 GLN 133 2.612 9.657 0.928 827 HG3 GLN 133 HG3 GLN 133 1.743 8.279 1.596 828 HE21 GLN 133 HE21 GLN 133 0.418 8.025 -0.176 829 HE22 GLN 133 HE22 GLN 133 -0.829 9.149 -0.581 830 H LYS 134 HN LYS 134 1.438 9.004 5.700 831 HA LYS 134 HA LYS 134 1.760 11.363 7.176 832 HB2 LYS 134 HB2 LYS 134 0.914 8.641 8.176 833 HB3 LYS 134 HB3 LYS 134 0.628 10.174 8.989 834 HG2 LYS 134 HG2 LYS 134 -0.871 10.888 7.286 835 HG3 LYS 134 HG3 LYS 134 -0.440 9.523 6.255 836 HD2 LYS 134 HD2 LYS 134 -1.339 8.009 8.038 837 HD3 LYS 134 HD3 LYS 134 -1.930 9.446 8.875 838 HE2 LYS 134 HE2 LYS 134 -2.687 8.617 6.074 839 HE3 LYS 134 HE3 LYS 134 -3.674 8.365 7.512 840 HZ1 LYS 134 HZ1 LYS 134 -3.752 10.778 7.812 841 HZ2 LYS 134 HZ2 LYS 134 -4.399 10.318 6.320 842 HZ3 LYS 134 HZ3 LYS 134 -2.851 10.993 6.396 843 H GLU 135 HN GLU 135 3.399 8.235 7.421 844 HA GLU 135 HA GLU 135 5.111 9.316 9.544 845 HB2 GLU 135 HB2 GLU 135 4.635 6.484 8.608 846 HB3 GLU 135 HB3 GLU 135 5.842 6.923 9.808 847 HG2 GLU 135 HG2 GLU 135 2.858 7.239 10.027 848 HG3 GLU 135 HG3 GLU 135 3.889 6.127 10.929 849 H ASP 136 HN ASP 136 6.344 10.645 8.102 850 HA ASP 136 HA ASP 136 7.851 9.466 5.962 851 HB2 ASP 136 HB2 ASP 136 7.142 11.893 6.069 852 HB3 ASP 136 HB3 ASP 136 8.365 12.124 7.313 853 H VAL 137 HN VAL 137 8.622 10.646 9.221 854 HA VAL 137 HA VAL 137 11.153 9.138 9.115 855 HB VAL 137 HB VAL 137 11.990 10.641 10.876 856 HG11 VAL 137 HG11 VAL 137 12.288 12.627 9.505 857 HG12 VAL 137 HG12 VAL 137 10.942 12.137 8.477 858 HG13 VAL 137 HG13 VAL 137 12.414 11.168 8.521 859 HG21 VAL 137 HG21 VAL 137 9.855 11.216 11.922 860 HG22 VAL 137 HG22 VAL 137 9.397 12.138 10.491 861 HG23 VAL 137 HG23 VAL 137 10.758 12.665 11.480 862 H LYS 138 HN LYS 138 11.857 8.731 11.606 863 HA LYS 138 HA LYS 138 10.011 6.793 12.565 864 HB2 LYS 138 HB2 LYS 138 12.612 7.877 13.618 865 HB3 LYS 138 HB3 LYS 138 11.648 6.758 14.570 866 HG2 LYS 138 HG2 LYS 138 13.302 5.499 13.424 867 HG3 LYS 138 HG3 LYS 138 11.749 5.156 12.664 868 HD2 LYS 138 HD2 LYS 138 12.270 6.687 10.852 869 HD3 LYS 138 HD3 LYS 138 13.791 7.125 11.631 870 HE2 LYS 138 HE2 LYS 138 14.549 4.797 11.415 871 HE3 LYS 138 HE3 LYS 138 13.039 4.390 10.603 872 HZ1 LYS 138 HZ1 LYS 138 14.803 4.764 9.009 873 HZ2 LYS 138 HZ2 LYS 138 15.075 6.317 9.620 874 HZ3 LYS 138 HZ3 LYS 138 13.615 5.959 8.845 Start of MODEL 19 1 H HIS 28 H1 HIS 28 -14.499 15.931 -7.673 2 HA HIS 28 HA HIS 28 -12.230 15.829 -8.532 3 HB2 HIS 28 HB2 HIS 28 -11.793 18.257 -8.439 4 HB3 HIS 28 HB3 HIS 28 -13.492 17.909 -8.737 5 HD1 HIS 28 HD1 HIS 28 -11.197 19.521 -6.313 6 HD2 HIS 28 HD2 HIS 28 -15.226 18.539 -6.570 7 HE1 HIS 28 HE1 HIS 28 -12.322 20.803 -4.465 8 HE2 HIS 28 HE2 HIS 28 -14.741 20.111 -4.576 9 H MET 29 HN MET 29 -10.181 15.364 -8.089 10 HA MET 29 HA MET 29 -8.279 14.909 -6.928 11 HB2 MET 29 HB2 MET 29 -9.030 17.487 -5.534 12 HB3 MET 29 HB3 MET 29 -7.456 16.713 -5.435 13 HG2 MET 29 HG2 MET 29 -8.728 17.758 -7.955 14 HG3 MET 29 HG3 MET 29 -7.490 18.584 -7.013 15 HE1 MET 29 HE1 MET 29 -5.548 17.481 -10.234 16 HE2 MET 29 HE2 MET 29 -5.971 18.832 -9.182 17 HE3 MET 29 HE3 MET 29 -7.222 18.026 -10.130 18 H GLU 30 HN GLU 30 -9.707 13.100 -6.053 19 HA GLU 30 HA GLU 30 -10.291 13.364 -3.201 20 HB2 GLU 30 HB2 GLU 30 -10.884 11.117 -5.136 21 HB3 GLU 30 HB3 GLU 30 -11.371 11.148 -3.448 22 HG2 GLU 30 HG2 GLU 30 -12.271 13.040 -5.609 23 HG3 GLU 30 HG3 GLU 30 -13.224 11.759 -4.861 24 H CYS 31 HN CYS 31 -9.257 12.245 -1.607 25 HA CYS 31 HA CYS 31 -7.264 10.243 -2.296 26 HB2 CYS 31 HB2 CYS 31 -6.017 12.360 -2.405 27 HB3 CYS 31 HB3 CYS 31 -6.536 12.753 -0.770 28 HG CYS 31 HG CYS 31 -5.118 10.698 0.449 29 H ALA 32 HN ALA 32 -8.057 12.248 0.559 30 HA ALA 32 HA ALA 32 -8.289 9.774 2.125 31 HB1 ALA 32 HB1 ALA 32 -6.666 11.427 2.929 32 HB2 ALA 32 HB2 ALA 32 -7.964 11.165 4.094 33 HB3 ALA 32 HB3 ALA 32 -7.961 12.614 3.089 34 H ASP 33 HN ASP 33 -10.339 9.056 1.987 35 HA ASP 33 HA ASP 33 -12.453 10.853 2.941 36 HB2 ASP 33 HB2 ASP 33 -12.776 9.007 0.562 37 HB3 ASP 33 HB3 ASP 33 -14.009 10.063 1.239 38 H VAL 34 HN VAL 34 -12.113 9.701 4.929 39 HA VAL 34 HA VAL 34 -13.242 6.976 4.916 40 HB VAL 34 HB VAL 34 -11.324 8.145 6.941 41 HG11 VAL 34 HG11 VAL 34 -12.812 6.509 7.933 42 HG12 VAL 34 HG12 VAL 34 -11.187 5.840 7.791 43 HG13 VAL 34 HG13 VAL 34 -12.442 5.359 6.649 44 HG21 VAL 34 HG21 VAL 34 -10.227 7.757 4.796 45 HG22 VAL 34 HG22 VAL 34 -10.837 6.103 4.772 46 HG23 VAL 34 HG23 VAL 34 -9.675 6.597 6.003 47 HA PRO 35 HA PRO 35 -16.498 8.874 7.329 48 HB2 PRO 35 HB2 PRO 35 -18.012 6.677 7.664 49 HB3 PRO 35 HB3 PRO 35 -17.887 7.493 6.101 50 HG2 PRO 35 HG2 PRO 35 -16.486 5.031 7.071 51 HG3 PRO 35 HG3 PRO 35 -17.234 5.344 5.494 52 HD2 PRO 35 HD2 PRO 35 -14.548 5.542 5.960 53 HD3 PRO 35 HD3 PRO 35 -15.398 6.472 4.711 54 H LEU 36 HN LEU 36 -17.616 8.429 9.448 55 HA LEU 36 HA LEU 36 -15.630 7.572 11.403 56 HB2 LEU 36 HB2 LEU 36 -18.256 9.030 11.691 57 HB3 LEU 36 HB3 LEU 36 -17.272 8.542 13.055 58 HG LEU 36 HG LEU 36 -16.853 10.853 12.651 59 HD11 LEU 36 HD11 LEU 36 -14.898 9.511 13.237 60 HD12 LEU 36 HD12 LEU 36 -14.464 10.877 12.209 61 HD13 LEU 36 HD13 LEU 36 -14.560 9.254 11.525 62 HD21 LEU 36 HD21 LEU 36 -16.148 10.154 9.805 63 HD22 LEU 36 HD22 LEU 36 -16.146 11.759 10.536 64 HD23 LEU 36 HD23 LEU 36 -17.666 10.892 10.314 65 H LEU 37 HN LEU 37 -15.763 5.318 11.073 66 HA LEU 37 HA LEU 37 -17.636 3.993 12.756 67 HB2 LEU 37 HB2 LEU 37 -18.917 4.412 10.574 68 HB3 LEU 37 HB3 LEU 37 -17.840 3.232 9.851 69 HG LEU 37 HG LEU 37 -18.634 1.587 11.596 70 HD11 LEU 37 HD11 LEU 37 -19.500 3.178 13.216 71 HD12 LEU 37 HD12 LEU 37 -20.767 2.070 12.691 72 HD13 LEU 37 HD13 LEU 37 -20.717 3.715 12.058 73 HD21 LEU 37 HD21 LEU 37 -20.717 1.100 10.420 74 HD22 LEU 37 HD22 LEU 37 -19.437 1.542 9.291 75 HD23 LEU 37 HD23 LEU 37 -20.693 2.710 9.700 76 H TPO 38 HN TPO 38 -16.869 2.008 13.395 77 HA TPO 38 HA TPO 38 -14.568 0.915 11.925 78 HB TPO 38 HB TPO 38 -13.605 2.123 13.761 79 HG21 TPO 38 HG21 TPO 38 -15.823 0.950 15.326 80 HG22 TPO 38 HG22 TPO 38 -15.052 2.531 15.453 81 HG23 TPO 38 HG23 TPO 38 -14.263 1.108 16.134 82 HA PRO 39 HA PRO 39 -17.709 -2.389 12.961 83 HB2 PRO 39 HB2 PRO 39 -18.207 -3.209 10.441 84 HB3 PRO 39 HB3 PRO 39 -19.059 -1.841 11.167 85 HG2 PRO 39 HG2 PRO 39 -16.726 -1.836 9.290 86 HG3 PRO 39 HG3 PRO 39 -18.185 -0.828 9.259 87 HD2 PRO 39 HD2 PRO 39 -15.810 0.040 10.259 88 HD3 PRO 39 HD3 PRO 39 -17.376 0.605 10.868 89 H SER 40 HN SER 40 -17.603 -4.766 12.035 90 HA SER 40 HA SER 40 -15.108 -5.827 12.658 91 HB2 SER 40 HB2 SER 40 -17.190 -7.131 12.747 92 HB3 SER 40 HB3 SER 40 -17.291 -7.097 10.988 93 HG SER 40 HG SER 40 -16.347 -9.038 11.848 94 H SEP 41 HN SEP 41 -16.567 -5.396 9.429 95 HA SEP 41 HA SEP 41 -14.491 -6.420 7.900 96 HB2 SEP 41 HB2 SEP 41 -16.828 -5.676 7.142 97 HB3 SEP 41 HB3 SEP 41 -16.132 -4.057 7.004 98 H LYS 42 HN LYS 42 -14.873 -3.154 9.205 99 HA LYS 42 HA LYS 42 -12.586 -2.094 7.847 100 HB2 LYS 42 HB2 LYS 42 -14.435 -1.133 9.978 101 HB3 LYS 42 HB3 LYS 42 -12.890 -0.319 9.792 102 HG2 LYS 42 HG2 LYS 42 -14.779 0.736 8.561 103 HG3 LYS 42 HG3 LYS 42 -13.396 0.308 7.555 104 HD2 LYS 42 HD2 LYS 42 -14.542 -1.685 6.779 105 HD3 LYS 42 HD3 LYS 42 -15.903 -1.346 7.847 106 HE2 LYS 42 HE2 LYS 42 -16.357 0.718 6.632 107 HE3 LYS 42 HE3 LYS 42 -14.974 0.415 5.581 108 HZ1 LYS 42 HZ1 LYS 42 -17.364 -1.337 5.802 109 HZ2 LYS 42 HZ2 LYS 42 -16.056 -1.562 4.753 110 HZ3 LYS 42 HZ3 LYS 42 -17.079 -0.230 4.554 111 H GLU 43 HN GLU 43 -13.175 -3.424 11.071 112 HA GLU 43 HA GLU 43 -10.689 -2.807 12.213 113 HB2 GLU 43 HB2 GLU 43 -12.648 -5.032 12.776 114 HB3 GLU 43 HB3 GLU 43 -11.202 -4.768 13.741 115 HG2 GLU 43 HG2 GLU 43 -11.970 -2.646 14.471 116 HG3 GLU 43 HG3 GLU 43 -13.295 -2.654 13.308 117 H MET 44 HN MET 44 -11.732 -5.594 10.288 118 HA MET 44 HA MET 44 -9.179 -6.916 10.543 119 HB2 MET 44 HB2 MET 44 -10.104 -8.628 9.121 120 HB3 MET 44 HB3 MET 44 -11.305 -8.182 10.324 121 HG2 MET 44 HG2 MET 44 -12.501 -6.859 8.690 122 HG3 MET 44 HG3 MET 44 -11.260 -7.188 7.481 123 HE1 MET 44 HE1 MET 44 -14.443 -7.823 6.887 124 HE2 MET 44 HE2 MET 44 -14.096 -9.279 5.954 125 HE3 MET 44 HE3 MET 44 -13.037 -7.873 5.826 126 H MET 45 HN MET 45 -10.727 -4.751 8.274 127 HA MET 45 HA MET 45 -9.169 -5.215 6.002 128 HB2 MET 45 HB2 MET 45 -11.200 -3.869 5.945 129 HB3 MET 45 HB3 MET 45 -10.448 -2.650 6.961 130 HG2 MET 45 HG2 MET 45 -10.368 -1.787 4.794 131 HG3 MET 45 HG3 MET 45 -8.739 -2.368 5.118 132 HE1 MET 45 HE1 MET 45 -7.493 -3.970 3.797 133 HE2 MET 45 HE2 MET 45 -8.147 -5.181 2.696 134 HE3 MET 45 HE3 MET 45 -8.414 -5.333 4.432 135 H SER 46 HN SER 46 -8.664 -2.890 8.664 136 HA SER 46 HA SER 46 -6.149 -2.026 7.553 137 HB2 SER 46 HB2 SER 46 -7.415 -1.444 10.252 138 HB3 SER 46 HB3 SER 46 -5.960 -0.664 9.629 139 HG SER 46 HG SER 46 -8.625 -0.357 8.854 140 H GLN 47 HN GLN 47 -7.221 -4.407 9.856 141 HA GLN 47 HA GLN 47 -5.029 -4.882 11.435 142 HB2 GLN 47 HB2 GLN 47 -7.196 -6.088 11.564 143 HB3 GLN 47 HB3 GLN 47 -6.740 -7.005 10.135 144 HG2 GLN 47 HG2 GLN 47 -4.840 -7.949 11.338 145 HG3 GLN 47 HG3 GLN 47 -5.283 -7.019 12.769 146 HE21 GLN 47 HE21 GLN 47 -6.104 -9.710 10.722 147 HE22 GLN 47 HE22 GLN 47 -7.240 -10.442 11.798 148 H ALA 48 HN ALA 48 -5.622 -6.220 8.183 149 HA ALA 48 HA ALA 48 -3.179 -7.629 7.996 150 HB1 ALA 48 HB1 ALA 48 -3.697 -7.882 5.642 151 HB2 ALA 48 HB2 ALA 48 -4.924 -6.620 5.755 152 HB3 ALA 48 HB3 ALA 48 -5.144 -8.144 6.614 153 H LEU 49 HN LEU 49 -4.146 -4.402 6.836 154 HA LEU 49 HA LEU 49 -1.777 -3.799 5.459 155 HB2 LEU 49 HB2 LEU 49 -3.981 -2.178 6.649 156 HB3 LEU 49 HB3 LEU 49 -2.524 -1.354 6.131 157 HG LEU 49 HG LEU 49 -4.268 -1.306 4.409 158 HD11 LEU 49 HD11 LEU 49 -1.908 -1.255 3.769 159 HD12 LEU 49 HD12 LEU 49 -2.909 -2.036 2.545 160 HD13 LEU 49 HD13 LEU 49 -1.914 -3.012 3.627 161 HD21 LEU 49 HD21 LEU 49 -5.350 -3.441 4.964 162 HD22 LEU 49 HD22 LEU 49 -3.950 -4.304 4.328 163 HD23 LEU 49 HD23 LEU 49 -4.948 -3.325 3.252 164 H LYS 50 HN LYS 50 -2.682 -3.250 8.846 165 HA LYS 50 HA LYS 50 -0.365 -1.835 9.592 166 HB2 LYS 50 HB2 LYS 50 -2.252 -3.537 11.223 167 HB3 LYS 50 HB3 LYS 50 -0.983 -2.539 11.921 168 HG2 LYS 50 HG2 LYS 50 -2.048 -0.562 11.364 169 HG3 LYS 50 HG3 LYS 50 -3.022 -1.321 10.105 170 HD2 LYS 50 HD2 LYS 50 -4.406 -0.780 12.024 171 HD3 LYS 50 HD3 LYS 50 -4.285 -2.530 11.835 172 HE2 LYS 50 HE2 LYS 50 -2.556 -2.587 13.577 173 HE3 LYS 50 HE3 LYS 50 -2.704 -0.840 13.772 174 HZ1 LYS 50 HZ1 LYS 50 -5.007 -1.152 14.447 175 HZ2 LYS 50 HZ2 LYS 50 -3.965 -2.022 15.454 176 HZ3 LYS 50 HZ3 LYS 50 -4.858 -2.828 14.265 177 H ALA 51 HN ALA 51 -0.994 -5.249 9.204 178 HA ALA 51 HA ALA 51 1.311 -6.146 10.653 179 HB1 ALA 51 HB1 ALA 51 0.756 -8.343 9.831 180 HB2 ALA 51 HB2 ALA 51 -0.330 -7.660 8.621 181 HB3 ALA 51 HB3 ALA 51 -0.725 -7.525 10.334 182 H THR 52 HN THR 52 0.662 -5.247 7.317 183 HA THR 52 HA THR 52 2.760 -6.488 5.985 184 HB THR 52 HB THR 52 2.593 -4.801 4.278 185 HG1 THR 52 HG1 THR 52 1.444 -2.863 4.658 186 HG21 THR 52 HG21 THR 52 0.700 -6.384 4.501 187 HG22 THR 52 HG22 THR 52 0.224 -4.838 3.799 188 HG23 THR 52 HG23 THR 52 -0.144 -5.190 5.486 189 H PHE 53 HN PHE 53 2.827 -3.726 8.115 190 HA PHE 53 HA PHE 53 5.072 -2.355 7.481 191 HB2 PHE 53 HB2 PHE 53 4.002 -3.164 10.174 192 HB3 PHE 53 HB3 PHE 53 5.420 -2.134 10.023 193 HD1 PHE 53 HD2 PHE 53 2.665 -1.915 7.609 194 HD2 PHE 53 HD1 PHE 53 4.359 -0.297 11.165 195 HE1 PHE 53 HE2 PHE 53 1.214 0.051 7.397 196 HE2 PHE 53 HE1 PHE 53 2.906 1.675 10.958 197 HZ PHE 53 HZ PHE 53 1.331 1.853 9.074 198 H SER 54 HN SER 54 5.145 -5.243 9.628 199 HA SER 54 HA SER 54 7.932 -5.395 9.807 200 HB2 SER 54 HB2 SER 54 5.887 -7.622 10.014 201 HB3 SER 54 HB3 SER 54 7.567 -7.736 10.541 202 HG SER 54 HG SER 54 5.423 -6.569 11.771 203 H GLY 55 HN GLY 55 5.700 -6.832 7.451 204 HA2 GLY 55 HA2 GLY 55 7.756 -8.329 6.110 205 HA3 GLY 55 HA1 GLY 55 6.109 -8.086 5.551 206 H PHE 56 HN PHE 56 6.997 -5.061 6.128 207 HA PHE 56 HA PHE 56 7.816 -4.617 3.355 208 HB2 PHE 56 HB2 PHE 56 5.835 -3.385 4.296 209 HB3 PHE 56 HB3 PHE 56 6.938 -2.549 5.383 210 HD1 PHE 56 HD1 PHE 56 7.577 -3.416 1.837 211 HD2 PHE 56 HD2 PHE 56 6.685 -0.332 4.634 212 HE1 PHE 56 HE1 PHE 56 7.997 -1.725 0.103 213 HE2 PHE 56 HE2 PHE 56 7.105 1.363 2.900 214 HZ PHE 56 HZ PHE 56 7.764 0.665 0.632 215 H THR 57 HN THR 57 8.741 -3.685 6.660 216 HA THR 57 HA THR 57 11.011 -2.192 6.038 217 HB THR 57 HB THR 57 10.633 -3.931 8.484 218 HG1 THR 57 HG1 THR 57 9.029 -2.575 8.806 219 HG21 THR 57 HG21 THR 57 12.116 -2.301 9.574 220 HG22 THR 57 HG22 THR 57 12.332 -1.474 8.031 221 HG23 THR 57 HG23 THR 57 12.922 -3.123 8.239 222 H LYS 58 HN LYS 58 10.626 -5.687 6.325 223 HA LYS 58 HA LYS 58 13.366 -6.355 6.272 224 HB2 LYS 58 HB2 LYS 58 12.630 -8.589 5.541 225 HB3 LYS 58 HB3 LYS 58 11.683 -8.003 6.901 226 HG2 LYS 58 HG2 LYS 58 9.858 -7.425 5.404 227 HG3 LYS 58 HG3 LYS 58 10.815 -7.945 4.016 228 HD2 LYS 58 HD2 LYS 58 10.931 -10.221 5.058 229 HD3 LYS 58 HD3 LYS 58 9.788 -9.654 6.277 230 HE2 LYS 58 HE2 LYS 58 8.635 -10.873 4.516 231 HE3 LYS 58 HE3 LYS 58 8.151 -9.180 4.519 232 HZ1 LYS 58 HZ1 LYS 58 10.181 -10.346 2.691 233 HZ2 LYS 58 HZ2 LYS 58 9.578 -8.766 2.650 234 HZ3 LYS 58 HZ3 LYS 58 8.564 -10.067 2.278 235 H GLU 59 HN GLU 59 11.066 -5.562 3.763 236 HA GLU 59 HA GLU 59 12.820 -6.301 1.592 237 HB2 GLU 59 HB2 GLU 59 10.498 -6.530 1.158 238 HB3 GLU 59 HB3 GLU 59 10.142 -4.927 1.780 239 HG2 GLU 59 HG2 GLU 59 11.977 -4.790 -0.437 240 HG3 GLU 59 HG3 GLU 59 10.509 -5.666 -0.872 241 H GLN 60 HN GLN 60 11.723 -3.319 3.181 242 HA GLN 60 HA GLN 60 12.947 -1.457 1.504 243 HB2 GLN 60 HB2 GLN 60 12.412 -1.281 4.470 244 HB3 GLN 60 HB3 GLN 60 12.815 0.084 3.440 245 HG2 GLN 60 HG2 GLN 60 10.781 -0.233 2.172 246 HG3 GLN 60 HG3 GLN 60 10.391 -1.666 3.117 247 HE21 GLN 60 HE21 GLN 60 10.557 1.802 3.100 248 HE22 GLN 60 HE22 GLN 60 9.664 2.053 4.556 249 H GLN 61 HN GLN 61 14.328 -3.483 3.987 250 HA GLN 61 HA GLN 61 16.801 -1.954 4.073 251 HB2 GLN 61 HB2 GLN 61 17.569 -3.652 5.661 252 HB3 GLN 61 HB3 GLN 61 16.003 -3.006 6.126 253 HG2 GLN 61 HG2 GLN 61 14.924 -4.998 5.184 254 HG3 GLN 61 HG3 GLN 61 16.510 -5.650 4.781 255 HE21 GLN 61 HE21 GLN 61 14.287 -4.880 7.350 256 HE22 GLN 61 HE22 GLN 61 15.087 -5.790 8.583 257 H ARG 62 HN ARG 62 15.641 -4.991 2.694 258 HA ARG 62 HA ARG 62 18.178 -5.862 1.744 259 HB2 ARG 62 HB2 ARG 62 15.356 -6.606 0.985 260 HB3 ARG 62 HB3 ARG 62 16.766 -7.356 0.252 261 HG2 ARG 62 HG2 ARG 62 17.484 -8.179 2.422 262 HG3 ARG 62 HG3 ARG 62 16.108 -7.387 3.190 263 HD2 ARG 62 HD2 ARG 62 15.928 -9.545 1.092 264 HD3 ARG 62 HD3 ARG 62 15.739 -9.799 2.826 265 HE ARG 62 HE ARG 62 13.887 -7.917 2.307 266 HH11 ARG 62 HH11 ARG 62 14.578 -11.001 0.799 267 HH12 ARG 62 HH12 ARG 62 12.937 -11.270 0.319 268 HH21 ARG 62 HH21 ARG 62 11.730 -8.282 1.677 269 HH22 ARG 62 HH22 ARG 62 11.321 -9.728 0.816 270 H LEU 63 HN LEU 63 15.640 -3.822 0.394 271 HA LEU 63 HA LEU 63 17.057 -3.630 -2.175 272 HB2 LEU 63 HB2 LEU 63 14.377 -2.485 -1.402 273 HB3 LEU 63 HB3 LEU 63 15.053 -2.596 -3.015 274 HG LEU 63 HG LEU 63 14.212 -4.938 -1.301 275 HD11 LEU 63 HD11 LEU 63 12.938 -3.713 -3.744 276 HD12 LEU 63 HD12 LEU 63 12.313 -3.644 -2.097 277 HD13 LEU 63 HD13 LEU 63 12.412 -5.191 -2.940 278 HD21 LEU 63 HD21 LEU 63 16.048 -5.564 -2.729 279 HD22 LEU 63 HD22 LEU 63 15.272 -4.808 -4.121 280 HD23 LEU 63 HD23 LEU 63 14.554 -6.238 -3.379 281 H GLY 64 HN GLY 64 16.096 -1.709 0.628 282 HA2 GLY 64 HA2 GLY 64 17.386 0.184 1.315 283 HA3 GLY 64 HA1 GLY 64 17.817 0.463 -0.365 284 H ILE 65 HN ILE 65 14.626 -0.245 -0.457 285 HA ILE 65 HA ILE 65 13.728 2.258 -1.203 286 HB ILE 65 HB ILE 65 12.030 0.093 0.048 287 HG12 ILE 65 HG12 ILE 65 12.762 0.548 -2.856 288 HG13 ILE 65 HG13 ILE 65 13.381 -0.749 -1.842 289 HG21 ILE 65 HG21 ILE 65 10.863 2.209 -0.095 290 HG22 ILE 65 HG22 ILE 65 10.218 1.088 -1.294 291 HG23 ILE 65 HG23 ILE 65 11.318 2.375 -1.791 292 HD11 ILE 65 HD11 ILE 65 10.607 -0.368 -2.899 293 HD12 ILE 65 HD12 ILE 65 10.957 -1.456 -1.558 294 HD13 ILE 65 HD13 ILE 65 11.706 -1.728 -3.131 295 HA PRO 66 HA PRO 66 13.600 4.451 2.693 296 HB2 PRO 66 HB2 PRO 66 11.954 6.397 1.222 297 HB3 PRO 66 HB3 PRO 66 13.517 6.618 2.009 298 HG2 PRO 66 HG2 PRO 66 13.261 6.590 -0.665 299 HG3 PRO 66 HG3 PRO 66 14.699 5.949 0.151 300 HD2 PRO 66 HD2 PRO 66 12.381 4.483 -1.042 301 HD3 PRO 66 HD3 PRO 66 14.109 4.075 -1.066 302 H LYS 67 HN LYS 67 11.875 5.594 4.021 303 HA LYS 67 HA LYS 67 9.481 3.926 4.052 304 HB2 LYS 67 HB2 LYS 67 10.817 4.217 6.121 305 HB3 LYS 67 HB3 LYS 67 10.461 5.937 6.086 306 HG2 LYS 67 HG2 LYS 67 9.029 4.835 7.675 307 HG3 LYS 67 HG3 LYS 67 8.066 5.428 6.322 308 HD2 LYS 67 HD2 LYS 67 8.075 3.171 5.347 309 HD3 LYS 67 HD3 LYS 67 9.011 2.589 6.727 310 HE2 LYS 67 HE2 LYS 67 7.166 3.262 8.221 311 HE3 LYS 67 HE3 LYS 67 6.232 3.763 6.812 312 HZ1 LYS 67 HZ1 LYS 67 7.155 1.007 7.427 313 HZ2 LYS 67 HZ2 LYS 67 6.358 1.458 6.004 314 HZ3 LYS 67 HZ3 LYS 67 5.562 1.575 7.492 315 H ASP 68 HN ASP 68 10.423 7.109 3.129 316 HA ASP 68 HA ASP 68 7.706 8.147 3.375 317 HB2 ASP 68 HB2 ASP 68 9.595 9.586 4.042 318 HB3 ASP 68 HB3 ASP 68 10.204 9.533 2.392 319 HA PRO 69 HA PRO 69 6.852 6.896 -0.846 320 HB2 PRO 69 HB2 PRO 69 4.395 8.086 -0.973 321 HB3 PRO 69 HB3 PRO 69 4.689 6.538 -0.175 322 HG2 PRO 69 HG2 PRO 69 4.424 9.267 1.017 323 HG3 PRO 69 HG3 PRO 69 3.765 7.724 1.591 324 HD2 PRO 69 HD2 PRO 69 5.974 8.846 2.665 325 HD3 PRO 69 HD3 PRO 69 5.756 7.088 2.556 326 H ARG 70 HN ARG 70 6.740 10.246 0.336 327 HA ARG 70 HA ARG 70 6.502 11.397 -2.278 328 HB2 ARG 70 HB2 ARG 70 7.454 12.625 0.319 329 HB3 ARG 70 HB3 ARG 70 7.158 13.522 -1.163 330 HG2 ARG 70 HG2 ARG 70 5.196 13.892 -0.079 331 HG3 ARG 70 HG3 ARG 70 4.776 12.420 -0.958 332 HD2 ARG 70 HD2 ARG 70 4.997 11.082 0.950 333 HD3 ARG 70 HD3 ARG 70 5.915 12.313 1.814 334 HE ARG 70 HE ARG 70 3.177 13.001 1.139 335 HH11 ARG 70 HH11 ARG 70 5.364 11.741 3.570 336 HH12 ARG 70 HH12 ARG 70 4.306 12.114 4.888 337 HH21 ARG 70 HH21 ARG 70 1.792 13.488 2.881 338 HH22 ARG 70 HH22 ARG 70 2.278 13.103 4.498 339 H GLN 71 HN GLN 71 9.166 10.441 -0.203 340 HA GLN 71 HA GLN 71 11.136 11.510 -2.069 341 HB2 GLN 71 HB2 GLN 71 11.396 10.177 0.623 342 HB3 GLN 71 HB3 GLN 71 12.778 10.637 -0.363 343 HG2 GLN 71 HG2 GLN 71 12.232 12.945 -0.193 344 HG3 GLN 71 HG3 GLN 71 10.678 12.582 0.554 345 HE21 GLN 71 HE21 GLN 71 10.612 11.941 2.713 346 HE22 GLN 71 HE22 GLN 71 11.950 12.175 3.779 347 H TRP 72 HN TRP 72 9.520 9.508 -3.143 348 HA TRP 72 HA TRP 72 11.355 7.200 -3.320 349 HB2 TRP 72 HB2 TRP 72 8.388 7.483 -3.407 350 HB3 TRP 72 HB3 TRP 72 9.099 6.279 -4.471 351 HD1 TRP 72 HD1 TRP 72 11.040 6.580 -1.307 352 HE1 TRP 72 HE1 TRP 72 10.477 4.614 0.251 353 HE3 TRP 72 HE3 TRP 72 6.949 4.752 -3.756 354 HZ2 TRP 72 HZ2 TRP 72 8.551 2.560 0.423 355 HZ3 TRP 72 HZ3 TRP 72 5.803 2.783 -2.830 356 HH2 TRP 72 HH2 TRP 72 6.591 1.713 -0.787 357 H THR 73 HN THR 73 11.189 6.103 -5.572 358 HA THR 73 HA THR 73 10.778 8.043 -7.682 359 HB THR 73 HB THR 73 12.794 7.347 -8.874 360 HG1 THR 73 HG1 THR 73 13.613 5.477 -8.330 361 HG21 THR 73 HG21 THR 73 13.007 9.216 -7.308 362 HG22 THR 73 HG22 THR 73 14.493 8.268 -7.376 363 HG23 THR 73 HG23 THR 73 13.394 8.088 -6.009 364 H GLU 74 HN GLU 74 11.153 6.679 -9.941 365 HA GLU 74 HA GLU 74 8.915 5.088 -10.223 366 HB2 GLU 74 HB2 GLU 74 11.481 4.967 -11.821 367 HB3 GLU 74 HB3 GLU 74 9.957 4.245 -12.313 368 HG2 GLU 74 HG2 GLU 74 8.944 6.522 -12.249 369 HG3 GLU 74 HG3 GLU 74 10.558 7.169 -11.964 370 H THR 75 HN THR 75 12.211 4.104 -9.391 371 HA THR 75 HA THR 75 11.775 1.325 -9.538 372 HB THR 75 HB THR 75 13.798 2.798 -7.829 373 HG1 THR 75 HG1 THR 75 14.446 3.344 -9.794 374 HG21 THR 75 HG21 THR 75 13.561 0.462 -7.170 375 HG22 THR 75 HG22 THR 75 15.099 0.715 -7.990 376 HG23 THR 75 HG23 THR 75 13.759 -0.048 -8.846 377 H HIS 76 HN HIS 76 11.932 3.471 -6.673 378 HA HIS 76 HA HIS 76 11.232 1.543 -4.769 379 HB2 HIS 76 HB2 HIS 76 10.683 4.517 -4.682 380 HB3 HIS 76 HB3 HIS 76 10.628 3.430 -3.299 381 HD1 HIS 76 HD1 HIS 76 12.646 5.954 -4.104 382 HD2 HIS 76 HD2 HIS 76 13.496 1.904 -3.756 383 HE1 HIS 76 HE1 HIS 76 15.117 5.822 -3.673 384 HE2 HIS 76 HE2 HIS 76 15.623 3.357 -3.541 385 H VAL 77 HN VAL 77 9.203 3.649 -6.741 386 HA VAL 77 HA VAL 77 6.718 3.151 -5.521 387 HB VAL 77 HB VAL 77 7.452 3.937 -8.345 388 HG11 VAL 77 HG11 VAL 77 5.330 2.772 -8.483 389 HG12 VAL 77 HG12 VAL 77 5.064 4.508 -8.651 390 HG13 VAL 77 HG13 VAL 77 4.699 3.704 -7.123 391 HG21 VAL 77 HG21 VAL 77 6.562 6.116 -7.608 392 HG22 VAL 77 HG22 VAL 77 7.929 5.584 -6.628 393 HG23 VAL 77 HG23 VAL 77 6.287 5.441 -6.002 394 H ARG 78 HN ARG 78 8.293 1.568 -8.325 395 HA ARG 78 HA ARG 78 6.165 -0.342 -8.676 396 HB2 ARG 78 HB2 ARG 78 7.483 -1.248 -10.451 397 HB3 ARG 78 HB3 ARG 78 7.635 0.502 -10.531 398 HG2 ARG 78 HG2 ARG 78 9.820 0.363 -9.444 399 HG3 ARG 78 HG3 ARG 78 9.667 -1.392 -9.368 400 HD2 ARG 78 HD2 ARG 78 11.032 -0.851 -11.249 401 HD3 ARG 78 HD3 ARG 78 9.472 -1.412 -11.850 402 HE ARG 78 HE ARG 78 9.112 1.237 -11.819 403 HH11 ARG 78 HH11 ARG 78 11.755 -0.698 -13.060 404 HH12 ARG 78 HH12 ARG 78 12.154 0.430 -14.310 405 HH21 ARG 78 HH21 ARG 78 9.639 2.715 -13.475 406 HH22 ARG 78 HH22 ARG 78 10.956 2.367 -14.545 407 H ASP 79 HN ASP 79 9.407 -0.429 -7.211 408 HA ASP 79 HA ASP 79 9.472 -3.185 -6.741 409 HB2 ASP 79 HB2 ASP 79 10.854 -0.816 -5.537 410 HB3 ASP 79 HB3 ASP 79 10.943 -2.345 -4.672 411 H TRP 80 HN TRP 80 7.994 -0.549 -4.914 412 HA TRP 80 HA TRP 80 7.294 -2.177 -2.683 413 HB2 TRP 80 HB2 TRP 80 7.297 0.091 -2.102 414 HB3 TRP 80 HB3 TRP 80 6.483 0.573 -3.586 415 HD1 TRP 80 HD1 TRP 80 5.655 -1.201 -0.236 416 HE1 TRP 80 HE1 TRP 80 3.181 -0.751 0.307 417 HE3 TRP 80 HE3 TRP 80 4.339 1.334 -4.473 418 HZ2 TRP 80 HZ2 TRP 80 0.960 0.508 -0.903 419 HZ3 TRP 80 HZ3 TRP 80 2.023 2.128 -4.703 420 HH2 TRP 80 HH2 TRP 80 0.370 1.722 -2.956 421 H VAL 81 HN VAL 81 5.224 -0.677 -5.192 422 HA VAL 81 HA VAL 81 2.890 -1.954 -4.913 423 HB VAL 81 HB VAL 81 4.351 -1.441 -7.509 424 HG11 VAL 81 HG11 VAL 81 1.472 -2.267 -7.137 425 HG12 VAL 81 HG12 VAL 81 2.738 -3.205 -7.930 426 HG13 VAL 81 HG13 VAL 81 2.183 -1.692 -8.644 427 HG21 VAL 81 HG21 VAL 81 2.844 0.464 -7.682 428 HG22 VAL 81 HG22 VAL 81 3.770 0.529 -6.182 429 HG23 VAL 81 HG23 VAL 81 2.084 0.016 -6.156 430 H MET 82 HN MET 82 5.603 -3.352 -6.766 431 HA MET 82 HA MET 82 4.462 -5.818 -7.362 432 HB2 MET 82 HB2 MET 82 6.641 -4.837 -8.228 433 HB3 MET 82 HB3 MET 82 7.385 -5.398 -6.738 434 HG2 MET 82 HG2 MET 82 6.989 -7.664 -7.284 435 HG3 MET 82 HG3 MET 82 5.920 -7.226 -8.616 436 HE1 MET 82 HE1 MET 82 8.444 -5.666 -11.183 437 HE2 MET 82 HE2 MET 82 7.497 -4.826 -9.955 438 HE3 MET 82 HE3 MET 82 6.765 -6.126 -10.896 439 H TRP 83 HN TRP 83 6.426 -4.865 -4.557 440 HA TRP 83 HA TRP 83 6.459 -7.346 -3.251 441 HB2 TRP 83 HB2 TRP 83 8.002 -5.777 -2.448 442 HB3 TRP 83 HB3 TRP 83 6.796 -4.501 -2.339 443 HD1 TRP 83 HD1 TRP 83 8.177 -7.492 -0.404 444 HE1 TRP 83 HE1 TRP 83 7.319 -7.369 2.020 445 HE3 TRP 83 HE3 TRP 83 4.863 -3.634 -0.912 446 HZ2 TRP 83 HZ2 TRP 83 5.475 -5.833 3.517 447 HZ3 TRP 83 HZ3 TRP 83 3.594 -2.899 1.060 448 HH2 TRP 83 HH2 TRP 83 3.895 -3.976 3.229 449 H ALA 84 HN ALA 84 4.119 -4.683 -3.139 450 HA ALA 84 HA ALA 84 2.526 -5.771 -1.045 451 HB1 ALA 84 HB1 ALA 84 1.801 -3.768 -3.194 452 HB2 ALA 84 HB2 ALA 84 2.441 -3.402 -1.591 453 HB3 ALA 84 HB3 ALA 84 0.839 -4.122 -1.758 454 H VAL 85 HN VAL 85 2.820 -6.462 -4.405 455 HA VAL 85 HA VAL 85 0.211 -7.659 -4.725 456 HB VAL 85 HB VAL 85 2.666 -7.689 -6.491 457 HG11 VAL 85 HG11 VAL 85 -0.072 -8.849 -6.986 458 HG12 VAL 85 HG12 VAL 85 1.458 -9.722 -6.910 459 HG13 VAL 85 HG13 VAL 85 1.149 -8.601 -8.235 460 HG21 VAL 85 HG21 VAL 85 0.017 -6.310 -6.889 461 HG22 VAL 85 HG22 VAL 85 1.469 -6.146 -7.879 462 HG23 VAL 85 HG23 VAL 85 1.450 -5.528 -6.228 463 H ASN 86 HN ASN 86 3.454 -8.633 -3.856 464 HA ASN 86 HA ASN 86 2.930 -11.463 -4.075 465 HB2 ASN 86 HB2 ASN 86 5.253 -10.013 -2.781 466 HB3 ASN 86 HB3 ASN 86 5.184 -11.732 -3.152 467 HD21 ASN 86 HD21 ASN 86 7.023 -9.602 -4.053 468 HD22 ASN 86 HD22 ASN 86 6.973 -9.655 -5.779 469 H GLU 87 HN GLU 87 2.967 -9.010 -1.542 470 HA GLU 87 HA GLU 87 2.807 -10.825 0.647 471 HB2 GLU 87 HB2 GLU 87 2.058 -7.902 0.465 472 HB3 GLU 87 HB3 GLU 87 2.160 -8.817 1.962 473 HG2 GLU 87 HG2 GLU 87 4.498 -8.533 0.105 474 HG3 GLU 87 HG3 GLU 87 4.132 -7.342 1.349 475 H PHE 88 HN PHE 88 0.430 -9.040 -1.268 476 HA PHE 88 HA PHE 88 -1.749 -10.334 0.219 477 HB2 PHE 88 HB2 PHE 88 -1.695 -7.933 -1.607 478 HB3 PHE 88 HB3 PHE 88 -3.191 -8.671 -1.051 479 HD1 PHE 88 HD2 PHE 88 -0.265 -6.700 -0.087 480 HD2 PHE 88 HD1 PHE 88 -3.908 -8.454 1.240 481 HE1 PHE 88 HE2 PHE 88 -0.182 -5.324 1.950 482 HE2 PHE 88 HE1 PHE 88 -3.833 -7.079 3.277 483 HZ PHE 88 HZ PHE 88 -1.968 -5.512 3.634 484 H SER 89 HN SER 89 0.066 -11.185 -2.313 485 HA SER 89 HA SER 89 -0.222 -12.235 -4.327 486 HB2 SER 89 HB2 SER 89 -2.434 -13.490 -2.681 487 HB3 SER 89 HB3 SER 89 -1.797 -14.160 -4.182 488 HG SER 89 HG SER 89 0.080 -14.630 -3.198 489 H LEU 90 HN LEU 90 -1.132 -9.844 -4.781 490 HA LEU 90 HA LEU 90 -3.897 -9.812 -5.538 491 HB2 LEU 90 HB2 LEU 90 -1.732 -7.782 -6.076 492 HB3 LEU 90 HB3 LEU 90 -3.451 -7.523 -6.293 493 HG LEU 90 HG LEU 90 -2.035 -7.984 -3.668 494 HD11 LEU 90 HD11 LEU 90 -1.688 -5.758 -4.618 495 HD12 LEU 90 HD12 LEU 90 -2.693 -5.699 -3.170 496 HD13 LEU 90 HD13 LEU 90 -3.433 -5.549 -4.763 497 HD21 LEU 90 HD21 LEU 90 -4.204 -7.600 -2.626 498 HD22 LEU 90 HD22 LEU 90 -4.248 -9.020 -3.670 499 HD23 LEU 90 HD23 LEU 90 -4.962 -7.502 -4.215 500 H LYS 91 HN LYS 91 -4.373 -8.810 -7.823 501 HA LYS 91 HA LYS 91 -2.638 -9.743 -9.930 502 HB2 LYS 91 HB2 LYS 91 -4.134 -11.329 -10.922 503 HB3 LYS 91 HB3 LYS 91 -3.891 -11.796 -9.247 504 HG2 LYS 91 HG2 LYS 91 -6.274 -10.207 -10.162 505 HG3 LYS 91 HG3 LYS 91 -6.245 -11.970 -10.133 506 HD2 LYS 91 HD2 LYS 91 -5.771 -11.916 -7.725 507 HD3 LYS 91 HD3 LYS 91 -5.817 -10.153 -7.760 508 HE2 LYS 91 HE2 LYS 91 -7.926 -10.982 -6.947 509 HE3 LYS 91 HE3 LYS 91 -8.160 -10.265 -8.540 510 HZ1 LYS 91 HZ1 LYS 91 -8.217 -12.443 -9.515 511 HZ2 LYS 91 HZ2 LYS 91 -9.333 -12.393 -8.247 512 HZ3 LYS 91 HZ3 LYS 91 -7.850 -13.177 -8.034 513 H GLY 92 HN GLY 92 -3.213 -8.988 -12.004 514 HA2 GLY 92 HA2 GLY 92 -4.438 -7.747 -13.558 515 HA3 GLY 92 HA1 GLY 92 -5.590 -7.341 -12.299 516 H VAL 93 HN VAL 93 -2.780 -6.608 -10.840 517 HA VAL 93 HA VAL 93 -3.108 -3.802 -11.339 518 HB VAL 93 HB VAL 93 -2.560 -4.670 -9.084 519 HG11 VAL 93 HG11 VAL 93 -0.297 -5.359 -8.552 520 HG12 VAL 93 HG12 VAL 93 0.171 -5.204 -10.244 521 HG13 VAL 93 HG13 VAL 93 -0.998 -6.434 -9.760 522 HG21 VAL 93 HG21 VAL 93 -2.139 -2.337 -9.635 523 HG22 VAL 93 HG22 VAL 93 -0.534 -2.754 -10.235 524 HG23 VAL 93 HG23 VAL 93 -0.914 -2.947 -8.523 525 H ASP 94 HN ASP 94 -1.878 -2.459 -12.537 526 HA ASP 94 HA ASP 94 0.229 -3.699 -14.168 527 HB2 ASP 94 HB2 ASP 94 -1.787 -2.650 -15.284 528 HB3 ASP 94 HB3 ASP 94 -1.202 -1.095 -14.706 529 H PHE 95 HN PHE 95 2.273 -2.894 -14.235 530 HA PHE 95 HA PHE 95 2.985 -0.977 -12.145 531 HB2 PHE 95 HB2 PHE 95 4.760 -2.654 -13.946 532 HB3 PHE 95 HB3 PHE 95 5.309 -1.659 -12.601 533 HD1 PHE 95 HD2 PHE 95 4.713 -2.287 -10.281 534 HD2 PHE 95 HD1 PHE 95 3.842 -4.811 -13.594 535 HE1 PHE 95 HE2 PHE 95 4.395 -4.182 -8.749 536 HE2 PHE 95 HE1 PHE 95 3.519 -6.712 -12.067 537 HZ PHE 95 HZ PHE 95 3.798 -6.399 -9.640 538 H GLN 96 HN GLN 96 2.788 -1.149 -15.636 539 HA GLN 96 HA GLN 96 4.437 1.030 -16.298 540 HB2 GLN 96 HB2 GLN 96 3.246 -0.672 -17.845 541 HB3 GLN 96 HB3 GLN 96 1.877 0.426 -17.752 542 HG2 GLN 96 HG2 GLN 96 3.247 2.229 -18.644 543 HG3 GLN 96 HG3 GLN 96 4.632 1.141 -18.720 544 HE21 GLN 96 HE21 GLN 96 1.559 1.982 -20.118 545 HE22 GLN 96 HE22 GLN 96 1.731 1.044 -21.558 546 H LYS 97 HN LYS 97 1.178 0.847 -15.025 547 HA LYS 97 HA LYS 97 0.351 3.521 -15.461 548 HB2 LYS 97 HB2 LYS 97 -0.439 1.583 -13.275 549 HB3 LYS 97 HB3 LYS 97 -1.294 3.056 -13.702 550 HG2 LYS 97 HG2 LYS 97 -0.911 0.679 -15.506 551 HG3 LYS 97 HG3 LYS 97 -2.378 1.065 -14.607 552 HD2 LYS 97 HD2 LYS 97 -2.485 3.227 -15.836 553 HD3 LYS 97 HD3 LYS 97 -1.111 2.695 -16.806 554 HE2 LYS 97 HE2 LYS 97 -3.168 2.284 -18.007 555 HE3 LYS 97 HE3 LYS 97 -2.423 0.751 -17.558 556 HZ1 LYS 97 HZ1 LYS 97 -3.977 0.515 -15.762 557 HZ2 LYS 97 HZ2 LYS 97 -4.843 0.807 -17.186 558 HZ3 LYS 97 HZ3 LYS 97 -4.635 2.047 -16.055 559 H PHE 98 HN PHE 98 2.189 1.946 -12.876 560 HA PHE 98 HA PHE 98 2.378 4.490 -11.433 561 HB2 PHE 98 HB2 PHE 98 3.216 1.713 -10.571 562 HB3 PHE 98 HB3 PHE 98 3.261 3.158 -9.568 563 HD1 PHE 98 HD1 PHE 98 0.801 4.466 -9.841 564 HD2 PHE 98 HD2 PHE 98 1.549 0.276 -9.935 565 HE1 PHE 98 HE1 PHE 98 -1.510 4.041 -9.119 566 HE2 PHE 98 HE2 PHE 98 -0.762 -0.155 -9.213 567 HZ PHE 98 HZ PHE 98 -2.295 1.732 -8.803 568 H CYS 99 HN CYS 99 3.823 4.147 -13.914 569 HA CYS 99 HA CYS 99 6.597 3.760 -13.155 570 HB2 CYS 99 HB2 CYS 99 5.143 4.199 -15.735 571 HB3 CYS 99 HB3 CYS 99 6.868 4.536 -15.656 572 HG CYS 99 HG CYS 99 6.309 1.969 -16.781 573 H MET 100 HN MET 100 6.300 5.565 -11.558 574 HA MET 100 HA MET 100 7.462 7.975 -12.640 575 HB2 MET 100 HB2 MET 100 5.755 9.512 -11.957 576 HB3 MET 100 HB3 MET 100 4.971 8.285 -12.941 577 HG2 MET 100 HG2 MET 100 4.373 7.139 -10.748 578 HG3 MET 100 HG3 MET 100 4.856 8.642 -9.966 579 HE1 MET 100 HE1 MET 100 2.214 6.744 -11.995 580 HE2 MET 100 HE2 MET 100 2.845 7.757 -13.294 581 HE3 MET 100 HE3 MET 100 1.208 8.013 -12.693 582 H SER 101 HN SER 101 7.799 9.611 -10.799 583 HA SER 101 HA SER 101 9.115 8.237 -8.651 584 HB2 SER 101 HB2 SER 101 9.681 10.516 -7.855 585 HB3 SER 101 HB3 SER 101 10.031 10.323 -9.573 586 HG SER 101 HG SER 101 8.514 11.729 -10.053 587 H GLY 102 HN GLY 102 8.757 8.700 -6.370 588 HA2 GLY 102 HA2 GLY 102 6.184 8.078 -5.508 589 HA3 GLY 102 HA1 GLY 102 7.464 8.706 -4.484 590 H ALA 103 HN ALA 103 7.822 11.234 -5.599 591 HA ALA 103 HA ALA 103 5.912 12.784 -4.306 592 HB1 ALA 103 HB1 ALA 103 7.623 13.592 -6.661 593 HB2 ALA 103 HB2 ALA 103 8.129 13.603 -4.972 594 HB3 ALA 103 HB3 ALA 103 6.843 14.681 -5.514 595 H ALA 104 HN ALA 104 6.016 11.650 -7.654 596 HA ALA 104 HA ALA 104 3.781 13.177 -8.565 597 HB1 ALA 104 HB1 ALA 104 3.881 11.798 -10.547 598 HB2 ALA 104 HB2 ALA 104 4.918 10.631 -9.727 599 HB3 ALA 104 HB3 ALA 104 5.516 12.255 -10.069 600 H LEU 105 HN LEU 105 4.210 9.804 -7.499 601 HA LEU 105 HA LEU 105 1.601 8.889 -7.891 602 HB2 LEU 105 HB2 LEU 105 3.700 7.568 -7.284 603 HB3 LEU 105 HB3 LEU 105 3.380 8.024 -5.623 604 HG LEU 105 HG LEU 105 1.131 6.925 -5.842 605 HD11 LEU 105 HD11 LEU 105 0.795 5.349 -7.662 606 HD12 LEU 105 HD12 LEU 105 2.321 5.846 -8.393 607 HD13 LEU 105 HD13 LEU 105 0.982 6.988 -8.286 608 HD21 LEU 105 HD21 LEU 105 3.552 5.181 -6.278 609 HD22 LEU 105 HD22 LEU 105 2.012 4.661 -5.595 610 HD23 LEU 105 HD23 LEU 105 3.011 5.830 -4.731 611 H CYS 106 HN CYS 106 3.049 10.398 -5.000 612 HA CYS 106 HA CYS 106 0.732 10.248 -3.394 613 HB2 CYS 106 HB2 CYS 106 3.036 12.211 -3.277 614 HB3 CYS 106 HB3 CYS 106 1.825 12.005 -2.016 615 HG CYS 106 HG CYS 106 2.744 9.778 -0.971 616 H ALA 107 HN ALA 107 1.911 12.682 -5.657 617 HA ALA 107 HA ALA 107 -0.015 14.679 -5.109 618 HB1 ALA 107 HB1 ALA 107 2.085 15.103 -6.321 619 HB2 ALA 107 HB2 ALA 107 0.671 15.682 -7.204 620 HB3 ALA 107 HB3 ALA 107 1.463 14.184 -7.692 621 H LEU 108 HN LEU 108 -0.054 11.842 -7.184 622 HA LEU 108 HA LEU 108 -2.273 12.461 -8.773 623 HB2 LEU 108 HB2 LEU 108 -1.098 9.848 -7.874 624 HB3 LEU 108 HB3 LEU 108 -2.502 9.916 -8.919 625 HG LEU 108 HG LEU 108 0.217 11.059 -9.565 626 HD11 LEU 108 HD11 LEU 108 0.272 8.655 -9.602 627 HD12 LEU 108 HD12 LEU 108 0.264 9.259 -11.259 628 HD13 LEU 108 HD13 LEU 108 -1.211 8.599 -10.554 629 HD21 LEU 108 HD21 LEU 108 -2.281 10.865 -11.246 630 HD22 LEU 108 HD22 LEU 108 -0.702 11.421 -11.801 631 HD23 LEU 108 HD23 LEU 108 -1.585 12.347 -10.589 632 H GLY 109 HN GLY 109 -2.064 11.127 -5.517 633 HA2 GLY 109 HA2 GLY 109 -3.684 10.967 -3.886 634 HA3 GLY 109 HA1 GLY 109 -4.807 11.744 -4.991 635 H LYS 110 HN LYS 110 -5.959 9.915 -3.561 636 HA LYS 110 HA LYS 110 -5.770 7.230 -4.389 637 HB2 LYS 110 HB2 LYS 110 -6.886 7.845 -2.316 638 HB3 LYS 110 HB3 LYS 110 -8.116 8.727 -3.208 639 HG2 LYS 110 HG2 LYS 110 -9.019 6.728 -4.111 640 HG3 LYS 110 HG3 LYS 110 -7.656 5.773 -3.530 641 HD2 LYS 110 HD2 LYS 110 -9.538 5.398 -2.083 642 HD3 LYS 110 HD3 LYS 110 -8.326 6.332 -1.208 643 HE2 LYS 110 HE2 LYS 110 -9.599 8.397 -1.793 644 HE3 LYS 110 HE3 LYS 110 -10.855 7.369 -2.480 645 HZ1 LYS 110 HZ1 LYS 110 -11.138 6.342 -0.300 646 HZ2 LYS 110 HZ2 LYS 110 -11.404 8.009 -0.231 647 HZ3 LYS 110 HZ3 LYS 110 -9.956 7.363 0.352 648 H GLU 111 HN GLU 111 -7.780 9.911 -5.535 649 HA GLU 111 HA GLU 111 -9.510 8.614 -7.259 650 HB2 GLU 111 HB2 GLU 111 -9.676 10.982 -6.761 651 HB3 GLU 111 HB3 GLU 111 -8.141 11.298 -7.554 652 HG2 GLU 111 HG2 GLU 111 -9.088 10.707 -9.694 653 HG3 GLU 111 HG3 GLU 111 -10.617 10.280 -8.927 654 H CYS 112 HN CYS 112 -6.453 10.173 -8.306 655 HA CYS 112 HA CYS 112 -6.471 8.969 -10.855 656 HB2 CYS 112 HB2 CYS 112 -4.237 10.228 -9.269 657 HB3 CYS 112 HB3 CYS 112 -4.069 9.706 -10.940 658 HG CYS 112 HG CYS 112 -5.427 11.652 -12.079 659 H PHE 113 HN PHE 113 -4.969 7.991 -7.793 660 HA PHE 113 HA PHE 113 -3.336 5.942 -8.808 661 HB2 PHE 113 HB2 PHE 113 -3.210 6.920 -6.502 662 HB3 PHE 113 HB3 PHE 113 -4.667 6.022 -6.093 663 HD1 PHE 113 HD2 PHE 113 -4.611 3.618 -5.824 664 HD2 PHE 113 HD1 PHE 113 -1.098 5.809 -6.801 665 HE1 PHE 113 HE2 PHE 113 -3.234 1.671 -5.222 666 HE2 PHE 113 HE1 PHE 113 0.288 3.865 -6.200 667 HZ PHE 113 HZ PHE 113 -0.781 1.793 -5.408 668 H LEU 114 HN LEU 114 -6.671 5.862 -7.552 669 HA LEU 114 HA LEU 114 -7.057 3.089 -7.878 670 HB2 LEU 114 HB2 LEU 114 -8.984 5.397 -7.726 671 HB3 LEU 114 HB3 LEU 114 -9.528 3.740 -7.892 672 HG LEU 114 HG LEU 114 -7.889 4.816 -5.593 673 HD11 LEU 114 HD11 LEU 114 -9.915 4.551 -4.281 674 HD12 LEU 114 HD12 LEU 114 -10.792 4.011 -5.712 675 HD13 LEU 114 HD13 LEU 114 -10.187 5.666 -5.620 676 HD21 LEU 114 HD21 LEU 114 -8.348 2.647 -4.549 677 HD22 LEU 114 HD22 LEU 114 -7.413 2.469 -6.034 678 HD23 LEU 114 HD23 LEU 114 -9.139 2.104 -6.028 679 H GLU 115 HN GLU 115 -7.317 5.789 -10.092 680 HA GLU 115 HA GLU 115 -8.682 4.371 -12.159 681 HB2 GLU 115 HB2 GLU 115 -7.014 6.889 -12.194 682 HB3 GLU 115 HB3 GLU 115 -7.851 6.262 -13.607 683 HG2 GLU 115 HG2 GLU 115 -9.981 6.560 -12.558 684 HG3 GLU 115 HG3 GLU 115 -9.218 6.995 -11.030 685 H LEU 116 HN LEU 116 -5.392 4.514 -11.094 686 HA LEU 116 HA LEU 116 -4.260 3.530 -13.570 687 HB2 LEU 116 HB2 LEU 116 -3.082 3.968 -10.828 688 HB3 LEU 116 HB3 LEU 116 -2.162 3.395 -12.203 689 HG LEU 116 HG LEU 116 -3.589 6.051 -12.136 690 HD11 LEU 116 HD11 LEU 116 -1.380 7.039 -11.776 691 HD12 LEU 116 HD12 LEU 116 -0.686 5.427 -11.614 692 HD13 LEU 116 HD13 LEU 116 -1.857 6.006 -10.429 693 HD21 LEU 116 HD21 LEU 116 -3.198 5.170 -14.373 694 HD22 LEU 116 HD22 LEU 116 -1.494 4.930 -13.991 695 HD23 LEU 116 HD23 LEU 116 -2.163 6.561 -14.054 696 H ALA 117 HN ALA 117 -5.021 2.260 -10.352 697 HA ALA 117 HA ALA 117 -4.185 -0.425 -11.224 698 HB1 ALA 117 HB1 ALA 117 -4.688 0.669 -8.463 699 HB2 ALA 117 HB2 ALA 117 -3.136 0.235 -9.181 700 HB3 ALA 117 HB3 ALA 117 -4.318 -1.019 -8.812 701 HA PRO 118 HA PRO 118 -8.146 -2.304 -11.633 702 HB2 PRO 118 HB2 PRO 118 -7.383 -4.070 -9.354 703 HB3 PRO 118 HB3 PRO 118 -8.017 -4.496 -10.945 704 HG2 PRO 118 HG2 PRO 118 -5.425 -4.778 -10.340 705 HG3 PRO 118 HG3 PRO 118 -5.966 -4.316 -11.963 706 HD2 PRO 118 HD2 PRO 118 -4.639 -2.686 -9.884 707 HD3 PRO 118 HD3 PRO 118 -4.654 -2.481 -11.641 708 H ASP 119 HN ASP 119 -10.139 -2.809 -10.524 709 HA ASP 119 HA ASP 119 -10.941 -0.821 -8.694 710 HB2 ASP 119 HB2 ASP 119 -13.101 -1.811 -8.789 711 HB3 ASP 119 HB3 ASP 119 -12.397 -1.913 -10.399 712 H PHE 120 HN PHE 120 -9.424 -3.815 -8.108 713 HA PHE 120 HA PHE 120 -10.488 -3.790 -5.389 714 HB2 PHE 120 HB2 PHE 120 -9.247 -6.110 -6.879 715 HB3 PHE 120 HB3 PHE 120 -9.693 -6.174 -5.180 716 HD1 PHE 120 HD1 PHE 120 -12.228 -5.315 -4.775 717 HD2 PHE 120 HD2 PHE 120 -10.713 -7.061 -8.348 718 HE1 PHE 120 HE1 PHE 120 -14.503 -6.020 -5.390 719 HE2 PHE 120 HE2 PHE 120 -12.987 -7.767 -8.970 720 HZ PHE 120 HZ PHE 120 -14.884 -7.247 -7.491 721 H VAL 121 HN VAL 121 -7.435 -4.677 -7.015 722 HA VAL 121 HA VAL 121 -5.803 -4.543 -4.747 723 HB VAL 121 HB VAL 121 -3.909 -4.509 -6.216 724 HG11 VAL 121 HG11 VAL 121 -6.118 -6.098 -7.515 725 HG12 VAL 121 HG12 VAL 121 -5.196 -6.599 -6.097 726 HG13 VAL 121 HG13 VAL 121 -4.386 -6.403 -7.651 727 HG21 VAL 121 HG21 VAL 121 -4.406 -2.766 -7.728 728 HG22 VAL 121 HG22 VAL 121 -5.858 -3.583 -8.305 729 HG23 VAL 121 HG23 VAL 121 -4.266 -4.233 -8.696 730 H GLY 122 HN GLY 122 -6.841 -1.986 -6.950 731 HA2 GLY 122 HA2 GLY 122 -5.026 0.018 -6.358 732 HA3 GLY 122 HA1 GLY 122 -6.710 0.301 -6.768 733 H ASP 123 HN ASP 123 -7.822 -1.022 -4.463 734 HA ASP 123 HA ASP 123 -7.807 1.128 -2.624 735 HB2 ASP 123 HB2 ASP 123 -8.823 -1.693 -2.236 736 HB3 ASP 123 HB3 ASP 123 -9.222 -0.309 -1.224 737 H ILE 124 HN ILE 124 -6.447 -2.158 -2.429 738 HA ILE 124 HA ILE 124 -5.365 -1.993 0.140 739 HB ILE 124 HB ILE 124 -4.290 -3.565 -2.200 740 HG12 ILE 124 HG12 ILE 124 -6.238 -4.381 -0.032 741 HG13 ILE 124 HG13 ILE 124 -6.659 -4.048 -1.709 742 HG21 ILE 124 HG21 ILE 124 -3.840 -3.865 0.766 743 HG22 ILE 124 HG22 ILE 124 -2.644 -3.421 -0.452 744 HG23 ILE 124 HG23 ILE 124 -3.342 -5.041 -0.450 745 HD11 ILE 124 HD11 ILE 124 -6.530 -6.424 -1.336 746 HD12 ILE 124 HD12 ILE 124 -4.883 -6.263 -0.721 747 HD13 ILE 124 HD13 ILE 124 -5.231 -5.912 -2.414 748 H LEU 125 HN LEU 125 -3.662 -1.591 -2.962 749 HA LEU 125 HA LEU 125 -1.175 -0.900 -1.995 750 HB2 LEU 125 HB2 LEU 125 -2.532 0.201 -4.475 751 HB3 LEU 125 HB3 LEU 125 -0.810 0.257 -4.154 752 HG LEU 125 HG LEU 125 -2.450 -2.241 -4.575 753 HD11 LEU 125 HD11 LEU 125 -1.134 -2.460 -6.632 754 HD12 LEU 125 HD12 LEU 125 -0.394 -0.891 -6.313 755 HD13 LEU 125 HD13 LEU 125 -2.125 -1.002 -6.628 756 HD21 LEU 125 HD21 LEU 125 0.497 -1.882 -4.058 757 HD22 LEU 125 HD22 LEU 125 -0.261 -3.387 -4.579 758 HD23 LEU 125 HD23 LEU 125 -0.672 -2.689 -3.012 759 H TRP 126 HN TRP 126 -3.796 1.430 -2.857 760 HA TRP 126 HA TRP 126 -2.307 3.661 -1.886 761 HB2 TRP 126 HB2 TRP 126 -3.996 4.318 -3.376 762 HB3 TRP 126 HB3 TRP 126 -5.191 3.230 -2.674 763 HD1 TRP 126 HD1 TRP 126 -3.812 6.743 -2.373 764 HE1 TRP 126 HE1 TRP 126 -5.207 8.066 -0.661 765 HE3 TRP 126 HE3 TRP 126 -6.612 2.911 -0.487 766 HZ2 TRP 126 HZ2 TRP 126 -7.229 7.545 1.242 767 HZ3 TRP 126 HZ3 TRP 126 -8.255 3.405 1.277 768 HH2 TRP 126 HH2 TRP 126 -8.554 5.675 2.122 769 H GLU 127 HN GLU 127 -4.392 1.341 -0.268 770 HA GLU 127 HA GLU 127 -4.965 2.819 2.059 771 HB2 GLU 127 HB2 GLU 127 -5.789 0.454 1.352 772 HB3 GLU 127 HB3 GLU 127 -4.327 -0.136 2.128 773 HG2 GLU 127 HG2 GLU 127 -5.009 0.826 4.236 774 HG3 GLU 127 HG3 GLU 127 -6.426 1.549 3.478 775 H HIS 128 HN HIS 128 -2.226 0.610 1.366 776 HA HIS 128 HA HIS 128 -0.835 1.321 3.773 777 HB2 HIS 128 HB2 HIS 128 -0.618 -0.901 2.615 778 HB3 HIS 128 HB3 HIS 128 0.271 -0.087 1.336 779 HD1 HIS 128 HD1 HIS 128 2.291 -1.671 1.959 780 HD2 HIS 128 HD2 HIS 128 1.197 1.041 4.911 781 HE1 HIS 128 HE1 HIS 128 4.218 -1.621 3.573 782 HE2 HIS 128 HE2 HIS 128 3.523 0.006 5.367 783 H LEU 129 HN LEU 129 -0.678 2.247 0.374 784 HA LEU 129 HA LEU 129 1.709 3.663 0.309 785 HB2 LEU 129 HB2 LEU 129 0.257 3.155 -1.648 786 HB3 LEU 129 HB3 LEU 129 -0.856 4.394 -1.109 787 HG LEU 129 HG LEU 129 0.915 6.094 -1.409 788 HD11 LEU 129 HD11 LEU 129 2.493 3.810 -2.585 789 HD12 LEU 129 HD12 LEU 129 2.859 4.658 -1.082 790 HD13 LEU 129 HD13 LEU 129 2.949 5.513 -2.622 791 HD21 LEU 129 HD21 LEU 129 0.865 6.103 -3.844 792 HD22 LEU 129 HD22 LEU 129 -0.705 5.644 -3.185 793 HD23 LEU 129 HD23 LEU 129 0.366 4.411 -3.851 794 H GLU 130 HN GLU 130 -1.548 4.858 1.153 795 HA GLU 130 HA GLU 130 -0.723 7.486 1.703 796 HB2 GLU 130 HB2 GLU 130 -3.075 6.844 1.248 797 HB3 GLU 130 HB3 GLU 130 -3.124 6.023 2.801 798 HG2 GLU 130 HG2 GLU 130 -2.529 8.955 2.542 799 HG3 GLU 130 HG3 GLU 130 -4.169 8.324 2.679 800 H ILE 131 HN ILE 131 -1.111 4.616 3.705 801 HA ILE 131 HA ILE 131 -0.711 5.706 6.222 802 HB ILE 131 HB ILE 131 -0.018 3.004 5.091 803 HG12 ILE 131 HG12 ILE 131 -2.062 3.787 7.172 804 HG13 ILE 131 HG13 ILE 131 -2.414 3.728 5.448 805 HG21 ILE 131 HG21 ILE 131 1.589 3.363 6.841 806 HG22 ILE 131 HG22 ILE 131 0.360 2.235 7.408 807 HG23 ILE 131 HG23 ILE 131 0.327 3.916 7.940 808 HD11 ILE 131 HD11 ILE 131 -3.167 1.713 6.544 809 HD12 ILE 131 HD12 ILE 131 -1.545 1.417 7.168 810 HD13 ILE 131 HD13 ILE 131 -1.848 1.344 5.433 811 H LEU 132 HN LEU 132 1.715 4.543 3.887 812 HA LEU 132 HA LEU 132 4.036 4.872 5.353 813 HB2 LEU 132 HB2 LEU 132 3.566 5.393 2.419 814 HB3 LEU 132 HB3 LEU 132 5.152 5.297 3.159 815 HG LEU 132 HG LEU 132 3.141 3.044 3.070 816 HD11 LEU 132 HD11 LEU 132 4.677 2.024 1.462 817 HD12 LEU 132 HD12 LEU 132 5.671 3.480 1.488 818 HD13 LEU 132 HD13 LEU 132 4.024 3.547 0.860 819 HD21 LEU 132 HD21 LEU 132 6.001 3.129 4.026 820 HD22 LEU 132 HD22 LEU 132 5.021 1.671 3.859 821 HD23 LEU 132 HD23 LEU 132 4.567 2.910 5.029 822 H GLN 133 HN GLN 133 2.120 7.304 3.670 823 HA GLN 133 HA GLN 133 3.907 9.463 3.840 824 HB2 GLN 133 HB2 GLN 133 0.888 9.560 3.835 825 HB3 GLN 133 HB3 GLN 133 1.971 10.874 3.408 826 HG2 GLN 133 HG2 GLN 133 2.708 9.731 1.453 827 HG3 GLN 133 HG3 GLN 133 1.851 8.264 1.925 828 HE21 GLN 133 HE21 GLN 133 0.683 8.217 0.007 829 HE22 GLN 133 HE22 GLN 133 -0.604 9.323 -0.314 830 H LYS 134 HN LYS 134 1.092 8.711 5.890 831 HA LYS 134 HA LYS 134 1.633 10.740 7.798 832 HB2 LYS 134 HB2 LYS 134 -0.106 9.643 9.150 833 HB3 LYS 134 HB3 LYS 134 -0.613 9.936 7.492 834 HG2 LYS 134 HG2 LYS 134 -0.201 7.596 6.943 835 HG3 LYS 134 HG3 LYS 134 0.332 7.297 8.599 836 HD2 LYS 134 HD2 LYS 134 -1.911 8.025 9.390 837 HD3 LYS 134 HD3 LYS 134 -2.420 8.153 7.705 838 HE2 LYS 134 HE2 LYS 134 -1.996 5.782 7.379 839 HE3 LYS 134 HE3 LYS 134 -1.413 5.640 9.035 840 HZ1 LYS 134 HZ1 LYS 134 -3.687 4.878 8.847 841 HZ2 LYS 134 HZ2 LYS 134 -4.174 6.371 8.220 842 HZ3 LYS 134 HZ3 LYS 134 -3.622 6.264 9.815 843 H GLU 135 HN GLU 135 2.614 7.380 7.552 844 HA GLU 135 HA GLU 135 3.326 6.958 10.235 845 HB2 GLU 135 HB2 GLU 135 4.246 5.687 7.671 846 HB3 GLU 135 HB3 GLU 135 4.906 5.202 9.226 847 HG2 GLU 135 HG2 GLU 135 2.046 5.011 8.319 848 HG3 GLU 135 HG3 GLU 135 3.163 3.687 8.635 849 H ASP 136 HN ASP 136 5.667 7.417 7.561 850 HA ASP 136 HA ASP 136 7.221 9.189 9.290 851 HB2 ASP 136 HB2 ASP 136 8.426 6.741 7.982 852 HB3 ASP 136 HB3 ASP 136 9.294 7.949 8.921 853 H VAL 137 HN VAL 137 8.959 10.301 8.167 854 HA VAL 137 HA VAL 137 8.493 10.522 5.268 855 HB VAL 137 HB VAL 137 9.131 12.936 5.468 856 HG11 VAL 137 HG11 VAL 137 6.945 13.670 6.306 857 HG12 VAL 137 HG12 VAL 137 6.676 12.065 6.988 858 HG13 VAL 137 HG13 VAL 137 6.806 12.271 5.242 859 HG21 VAL 137 HG21 VAL 137 8.778 12.433 8.425 860 HG22 VAL 137 HG22 VAL 137 8.971 14.013 7.666 861 HG23 VAL 137 HG23 VAL 137 10.290 12.843 7.615 862 H LYS 138 HN LYS 138 10.291 8.730 5.953 863 HA LYS 138 HA LYS 138 12.940 9.855 6.222 864 HB2 LYS 138 HB2 LYS 138 12.129 6.996 5.661 865 HB3 LYS 138 HB3 LYS 138 13.713 7.549 6.188 866 HG2 LYS 138 HG2 LYS 138 12.814 8.229 8.321 867 HG3 LYS 138 HG3 LYS 138 11.180 7.819 7.794 868 HD2 LYS 138 HD2 LYS 138 11.942 5.463 7.498 869 HD3 LYS 138 HD3 LYS 138 13.490 5.925 8.210 870 HE2 LYS 138 HE2 LYS 138 12.380 6.563 10.271 871 HE3 LYS 138 HE3 LYS 138 10.806 6.208 9.559 872 HZ1 LYS 138 HZ1 LYS 138 12.969 4.234 10.067 873 HZ2 LYS 138 HZ2 LYS 138 11.473 3.885 9.358 874 HZ3 LYS 138 HZ3 LYS 138 11.546 4.401 10.967 Start of MODEL 20 1 H HIS 28 H1 HIS 28 -30.312 -4.218 25.523 2 HA HIS 28 HA HIS 28 -28.870 -3.131 24.016 3 HB2 HIS 28 HB2 HIS 28 -29.501 -4.184 21.957 4 HB3 HIS 28 HB3 HIS 28 -30.054 -5.215 23.270 5 HD1 HIS 28 HD1 HIS 28 -31.292 -3.036 20.502 6 HD2 HIS 28 HD2 HIS 28 -32.846 -5.447 23.508 7 HE1 HIS 28 HE1 HIS 28 -33.729 -3.307 19.953 8 HE2 HIS 28 HE2 HIS 28 -34.648 -4.785 21.775 9 H MET 29 HN MET 29 -32.134 -1.867 23.904 10 HA MET 29 HA MET 29 -32.947 0.162 23.305 11 HB2 MET 29 HB2 MET 29 -30.100 0.907 22.605 12 HB3 MET 29 HB3 MET 29 -31.451 2.015 22.773 13 HG2 MET 29 HG2 MET 29 -30.359 0.306 24.997 14 HG3 MET 29 HG3 MET 29 -29.919 1.989 24.713 15 HE1 MET 29 HE1 MET 29 -33.292 -0.210 25.019 16 HE2 MET 29 HE2 MET 29 -33.735 0.375 26.623 17 HE3 MET 29 HE3 MET 29 -32.198 -0.454 26.380 18 H GLU 30 HN GLU 30 -30.283 -0.171 20.945 19 HA GLU 30 HA GLU 30 -31.878 -1.155 18.843 20 HB2 GLU 30 HB2 GLU 30 -32.910 1.091 19.006 21 HB3 GLU 30 HB3 GLU 30 -31.337 1.818 18.710 22 HG2 GLU 30 HG2 GLU 30 -31.265 0.781 16.505 23 HG3 GLU 30 HG3 GLU 30 -32.834 0.034 16.802 24 H CYS 31 HN CYS 31 -29.176 1.079 19.491 25 HA CYS 31 HA CYS 31 -27.641 -0.108 17.312 26 HB2 CYS 31 HB2 CYS 31 -27.677 2.342 17.531 27 HB3 CYS 31 HB3 CYS 31 -26.974 2.210 19.140 28 HG CYS 31 HG CYS 31 -25.411 2.623 16.384 29 H ALA 32 HN ALA 32 -27.454 0.308 20.838 30 HA ALA 32 HA ALA 32 -24.948 -0.974 21.161 31 HB1 ALA 32 HB1 ALA 32 -25.879 0.532 22.846 32 HB2 ALA 32 HB2 ALA 32 -25.501 -1.046 23.537 33 HB3 ALA 32 HB3 ALA 32 -27.173 -0.622 23.170 34 H ASP 33 HN ASP 33 -24.795 -2.959 20.216 35 HA ASP 33 HA ASP 33 -26.314 -5.119 21.472 36 HB2 ASP 33 HB2 ASP 33 -26.122 -4.713 18.478 37 HB3 ASP 33 HB3 ASP 33 -26.694 -6.191 19.244 38 H VAL 34 HN VAL 34 -24.940 -6.617 22.159 39 HA VAL 34 HA VAL 34 -22.385 -6.960 20.724 40 HB VAL 34 HB VAL 34 -22.874 -7.400 23.677 41 HG11 VAL 34 HG11 VAL 34 -21.155 -8.868 22.788 42 HG12 VAL 34 HG12 VAL 34 -20.430 -7.623 23.806 43 HG13 VAL 34 HG13 VAL 34 -20.334 -7.492 22.050 44 HG21 VAL 34 HG21 VAL 34 -21.471 -5.412 24.012 45 HG22 VAL 34 HG22 VAL 34 -22.953 -5.030 23.137 46 HG23 VAL 34 HG23 VAL 34 -21.425 -5.158 22.267 47 HA PRO 35 HA PRO 35 -24.289 -11.058 20.281 48 HB2 PRO 35 HB2 PRO 35 -22.912 -11.796 18.093 49 HB3 PRO 35 HB3 PRO 35 -24.259 -10.653 18.005 50 HG2 PRO 35 HG2 PRO 35 -21.315 -10.113 18.025 51 HG3 PRO 35 HG3 PRO 35 -22.580 -9.381 17.020 52 HD2 PRO 35 HD2 PRO 35 -21.546 -8.196 19.261 53 HD3 PRO 35 HD3 PRO 35 -23.185 -7.892 18.655 54 H LEU 36 HN LEU 36 -23.124 -13.283 19.747 55 HA LEU 36 HA LEU 36 -21.413 -13.855 21.894 56 HB2 LEU 36 HB2 LEU 36 -21.926 -15.437 19.376 57 HB3 LEU 36 HB3 LEU 36 -21.095 -16.058 20.789 58 HG LEU 36 HG LEU 36 -23.972 -15.139 20.723 59 HD11 LEU 36 HD11 LEU 36 -23.721 -17.184 19.484 60 HD12 LEU 36 HD12 LEU 36 -24.464 -17.543 21.042 61 HD13 LEU 36 HD13 LEU 36 -22.757 -17.896 20.778 62 HD21 LEU 36 HD21 LEU 36 -22.358 -16.439 22.915 63 HD22 LEU 36 HD22 LEU 36 -24.093 -16.124 22.967 64 HD23 LEU 36 HD23 LEU 36 -22.953 -14.780 22.902 65 H LEU 37 HN LEU 37 -20.673 -13.713 18.410 66 HA LEU 37 HA LEU 37 -17.824 -13.446 19.100 67 HB2 LEU 37 HB2 LEU 37 -19.099 -14.302 16.500 68 HB3 LEU 37 HB3 LEU 37 -17.375 -14.156 16.778 69 HG LEU 37 HG LEU 37 -19.207 -16.096 18.194 70 HD11 LEU 37 HD11 LEU 37 -18.954 -16.718 15.884 71 HD12 LEU 37 HD12 LEU 37 -17.982 -17.798 16.885 72 HD13 LEU 37 HD13 LEU 37 -17.206 -16.500 15.978 73 HD21 LEU 37 HD21 LEU 37 -17.335 -15.429 19.594 74 HD22 LEU 37 HD22 LEU 37 -16.208 -15.773 18.282 75 HD23 LEU 37 HD23 LEU 37 -17.119 -17.086 19.028 76 H TPO 38 HN TPO 38 -17.407 -11.320 19.292 77 HA TPO 38 HA TPO 38 -17.798 -9.655 16.930 78 HB TPO 38 HB TPO 38 -19.748 -9.067 18.184 79 HG21 TPO 38 HG21 TPO 38 -19.870 -9.317 20.380 80 HG22 TPO 38 HG22 TPO 38 -18.788 -7.938 20.573 81 HG23 TPO 38 HG23 TPO 38 -18.127 -9.571 20.482 82 HA PRO 39 HA PRO 39 -13.563 -9.207 18.708 83 HB2 PRO 39 HB2 PRO 39 -12.335 -9.002 16.290 84 HB3 PRO 39 HB3 PRO 39 -12.702 -10.551 17.057 85 HG2 PRO 39 HG2 PRO 39 -14.199 -9.100 14.909 86 HG3 PRO 39 HG3 PRO 39 -13.815 -10.827 15.035 87 HD2 PRO 39 HD2 PRO 39 -16.247 -9.832 15.675 88 HD3 PRO 39 HD3 PRO 39 -15.544 -11.232 16.509 89 H SER 40 HN SER 40 -12.212 -7.384 18.798 90 HA SER 40 HA SER 40 -13.508 -4.889 18.335 91 HB2 SER 40 HB2 SER 40 -12.009 -5.223 20.253 92 HB3 SER 40 HB3 SER 40 -10.649 -5.463 19.158 93 HG SER 40 HG SER 40 -11.981 -3.123 19.864 94 H SEP 41 HN SEP 41 -13.754 -4.134 16.335 95 HA SEP 41 HA SEP 41 -12.100 -4.725 14.138 96 HB2 SEP 41 HB2 SEP 41 -14.158 -2.568 14.605 97 HB3 SEP 41 HB3 SEP 41 -13.305 -2.743 13.067 98 H LYS 42 HN LYS 42 -12.039 -2.086 16.469 99 HA LYS 42 HA LYS 42 -10.264 -0.361 15.138 100 HB2 LYS 42 HB2 LYS 42 -11.531 0.310 17.122 101 HB3 LYS 42 HB3 LYS 42 -10.624 -0.831 18.105 102 HG2 LYS 42 HG2 LYS 42 -8.585 0.424 17.731 103 HG3 LYS 42 HG3 LYS 42 -9.446 1.542 16.672 104 HD2 LYS 42 HD2 LYS 42 -10.114 1.090 19.579 105 HD3 LYS 42 HD3 LYS 42 -9.093 2.402 18.986 106 HE2 LYS 42 HE2 LYS 42 -10.965 3.220 17.621 107 HE3 LYS 42 HE3 LYS 42 -11.981 1.921 18.248 108 HZ1 LYS 42 HZ1 LYS 42 -11.725 2.837 20.466 109 HZ2 LYS 42 HZ2 LYS 42 -12.366 3.999 19.418 110 HZ3 LYS 42 HZ3 LYS 42 -10.738 4.077 19.873 111 H GLU 43 HN GLU 43 -9.658 -3.097 17.312 112 HA GLU 43 HA GLU 43 -6.803 -2.798 17.171 113 HB2 GLU 43 HB2 GLU 43 -7.910 -3.758 19.156 114 HB3 GLU 43 HB3 GLU 43 -8.463 -5.116 18.187 115 HG2 GLU 43 HG2 GLU 43 -6.513 -5.679 19.549 116 HG3 GLU 43 HG3 GLU 43 -6.182 -5.831 17.824 117 H MET 44 HN MET 44 -9.238 -4.848 15.639 118 HA MET 44 HA MET 44 -7.624 -6.697 14.349 119 HB2 MET 44 HB2 MET 44 -10.165 -6.603 14.475 120 HB3 MET 44 HB3 MET 44 -10.096 -5.470 13.134 121 HG2 MET 44 HG2 MET 44 -8.946 -7.188 11.787 122 HG3 MET 44 HG3 MET 44 -9.133 -8.320 13.126 123 HE1 MET 44 HE1 MET 44 -12.010 -7.076 14.116 124 HE2 MET 44 HE2 MET 44 -11.715 -8.815 14.169 125 HE3 MET 44 HE3 MET 44 -13.154 -8.189 13.366 126 H MET 45 HN MET 45 -8.671 -3.491 13.217 127 HA MET 45 HA MET 45 -7.484 -3.556 10.691 128 HB2 MET 45 HB2 MET 45 -8.119 -1.255 12.532 129 HB3 MET 45 HB3 MET 45 -7.468 -1.018 10.917 130 HG2 MET 45 HG2 MET 45 -9.403 -2.206 9.982 131 HG3 MET 45 HG3 MET 45 -10.064 -2.373 11.607 132 HE1 MET 45 HE1 MET 45 -9.539 1.636 9.382 133 HE2 MET 45 HE2 MET 45 -9.129 0.057 8.711 134 HE3 MET 45 HE3 MET 45 -8.166 0.734 10.024 135 H SER 46 HN SER 46 -6.071 -2.822 13.838 136 HA SER 46 HA SER 46 -3.598 -1.914 12.624 137 HB2 SER 46 HB2 SER 46 -4.396 -0.842 14.705 138 HB3 SER 46 HB3 SER 46 -4.265 -2.383 15.552 139 HG SER 46 HG SER 46 -2.357 -1.515 15.985 140 H GLN 47 HN GLN 47 -4.900 -4.854 14.014 141 HA GLN 47 HA GLN 47 -2.591 -6.261 14.642 142 HB2 GLN 47 HB2 GLN 47 -5.252 -7.158 13.561 143 HB3 GLN 47 HB3 GLN 47 -3.979 -8.303 13.963 144 HG2 GLN 47 HG2 GLN 47 -4.053 -7.742 16.246 145 HG3 GLN 47 HG3 GLN 47 -5.009 -6.296 15.942 146 HE21 GLN 47 HE21 GLN 47 -5.594 -9.456 14.493 147 HE22 GLN 47 HE22 GLN 47 -7.102 -9.738 15.284 148 H ALA 48 HN ALA 48 -4.330 -6.189 11.528 149 HA ALA 48 HA ALA 48 -2.276 -7.664 10.171 150 HB1 ALA 48 HB1 ALA 48 -4.629 -7.853 9.517 151 HB2 ALA 48 HB2 ALA 48 -3.617 -7.327 8.172 152 HB3 ALA 48 HB3 ALA 48 -4.622 -6.159 9.029 153 H LEU 49 HN LEU 49 -3.147 -4.259 10.489 154 HA LEU 49 HA LEU 49 -1.568 -3.244 8.403 155 HB2 LEU 49 HB2 LEU 49 -3.292 -1.937 9.551 156 HB3 LEU 49 HB3 LEU 49 -2.330 -1.940 11.017 157 HG LEU 49 HG LEU 49 -0.619 -0.589 9.939 158 HD11 LEU 49 HD11 LEU 49 -0.943 0.300 7.689 159 HD12 LEU 49 HD12 LEU 49 -2.406 -0.668 7.512 160 HD13 LEU 49 HD13 LEU 49 -0.838 -1.459 7.671 161 HD21 LEU 49 HD21 LEU 49 -1.915 1.473 9.628 162 HD22 LEU 49 HD22 LEU 49 -2.447 0.567 11.046 163 HD23 LEU 49 HD23 LEU 49 -3.399 0.521 9.561 164 H LYS 50 HN LYS 50 -0.810 -3.783 11.835 165 HA LYS 50 HA LYS 50 1.859 -2.808 11.656 166 HB2 LYS 50 HB2 LYS 50 0.589 -4.622 13.709 167 HB3 LYS 50 HB3 LYS 50 2.160 -3.851 13.878 168 HG2 LYS 50 HG2 LYS 50 -0.479 -2.420 13.631 169 HG3 LYS 50 HG3 LYS 50 0.427 -2.667 15.124 170 HD2 LYS 50 HD2 LYS 50 2.221 -1.292 14.344 171 HD3 LYS 50 HD3 LYS 50 1.527 -1.210 12.725 172 HE2 LYS 50 HE2 LYS 50 0.212 -0.111 15.206 173 HE3 LYS 50 HE3 LYS 50 1.176 0.845 14.084 174 HZ1 LYS 50 HZ1 LYS 50 -0.403 0.269 12.325 175 HZ2 LYS 50 HZ2 LYS 50 -1.164 1.076 13.600 176 HZ3 LYS 50 HZ3 LYS 50 -1.341 -0.598 13.435 177 H ALA 51 HN ALA 51 0.347 -5.951 11.286 178 HA ALA 51 HA ALA 51 2.698 -7.520 11.272 179 HB1 ALA 51 HB1 ALA 51 0.046 -8.040 9.921 180 HB2 ALA 51 HB2 ALA 51 0.486 -8.507 11.565 181 HB3 ALA 51 HB3 ALA 51 1.315 -9.236 10.189 182 H THR 52 HN THR 52 1.012 -5.699 8.766 183 HA THR 52 HA THR 52 2.434 -6.746 6.547 184 HB THR 52 HB THR 52 1.096 -4.040 6.799 185 HG1 THR 52 HG1 THR 52 -0.611 -5.311 6.940 186 HG21 THR 52 HG21 THR 52 1.867 -5.666 4.372 187 HG22 THR 52 HG22 THR 52 2.596 -4.145 4.886 188 HG23 THR 52 HG23 THR 52 0.918 -4.181 4.341 189 H PHE 53 HN PHE 53 2.851 -3.797 8.508 190 HA PHE 53 HA PHE 53 4.968 -2.612 7.261 191 HB2 PHE 53 HB2 PHE 53 4.533 -2.875 10.243 192 HB3 PHE 53 HB3 PHE 53 5.651 -1.743 9.495 193 HD1 PHE 53 HD1 PHE 53 3.893 -0.945 7.151 194 HD2 PHE 53 HD2 PHE 53 3.092 -1.365 11.309 195 HE1 PHE 53 HE1 PHE 53 2.086 0.716 6.968 196 HE2 PHE 53 HE2 PHE 53 1.284 0.291 11.133 197 HZ PHE 53 HZ PHE 53 0.778 1.334 8.961 198 H SER 54 HN SER 54 5.158 -5.302 9.605 199 HA SER 54 HA SER 54 7.938 -5.470 9.764 200 HB2 SER 54 HB2 SER 54 5.931 -7.736 9.943 201 HB3 SER 54 HB3 SER 54 7.588 -7.775 10.541 202 HG SER 54 HG SER 54 5.350 -6.674 11.660 203 H GLY 55 HN GLY 55 5.690 -7.018 7.471 204 HA2 GLY 55 HA2 GLY 55 7.754 -8.474 6.107 205 HA3 GLY 55 HA1 GLY 55 6.097 -8.260 5.565 206 H PHE 56 HN PHE 56 6.757 -5.230 6.034 207 HA PHE 56 HA PHE 56 7.592 -4.775 3.280 208 HB2 PHE 56 HB2 PHE 56 5.607 -3.578 4.239 209 HB3 PHE 56 HB3 PHE 56 6.702 -2.730 5.324 210 HD1 PHE 56 HD1 PHE 56 7.338 -3.565 1.773 211 HD2 PHE 56 HD2 PHE 56 6.403 -0.515 4.593 212 HE1 PHE 56 HE1 PHE 56 7.723 -1.858 0.048 213 HE2 PHE 56 HE2 PHE 56 6.784 1.198 2.868 214 HZ PHE 56 HZ PHE 56 7.449 0.525 0.593 215 H THR 57 HN THR 57 8.547 -3.757 6.555 216 HA THR 57 HA THR 57 10.776 -2.238 5.898 217 HB THR 57 HB THR 57 10.512 -4.004 8.339 218 HG1 THR 57 HG1 THR 57 8.854 -2.719 8.698 219 HG21 THR 57 HG21 THR 57 12.120 -1.500 7.820 220 HG22 THR 57 HG22 THR 57 12.752 -3.125 8.090 221 HG23 THR 57 HG23 THR 57 11.933 -2.269 9.397 222 H LYS 58 HN LYS 58 10.510 -5.749 6.281 223 HA LYS 58 HA LYS 58 13.229 -6.380 6.167 224 HB2 LYS 58 HB2 LYS 58 10.694 -7.816 5.670 225 HB3 LYS 58 HB3 LYS 58 12.110 -8.498 4.880 226 HG2 LYS 58 HG2 LYS 58 11.778 -9.558 7.009 227 HG3 LYS 58 HG3 LYS 58 13.251 -8.590 7.053 228 HD2 LYS 58 HD2 LYS 58 11.992 -6.785 8.176 229 HD3 LYS 58 HD3 LYS 58 10.565 -7.821 8.187 230 HE2 LYS 58 HE2 LYS 58 11.629 -7.934 10.340 231 HE3 LYS 58 HE3 LYS 58 11.826 -9.480 9.519 232 HZ1 LYS 58 HZ1 LYS 58 13.868 -8.758 10.604 233 HZ2 LYS 58 HZ2 LYS 58 13.888 -7.347 9.671 234 HZ3 LYS 58 HZ3 LYS 58 14.076 -8.854 8.928 235 H GLU 59 HN GLU 59 10.921 -5.648 3.621 236 HA GLU 59 HA GLU 59 12.718 -6.286 1.465 237 HB2 GLU 59 HB2 GLU 59 10.379 -6.497 1.022 238 HB3 GLU 59 HB3 GLU 59 10.050 -4.880 1.625 239 HG2 GLU 59 HG2 GLU 59 11.923 -4.783 -0.555 240 HG3 GLU 59 HG3 GLU 59 10.466 -5.659 -1.019 241 H GLN 60 HN GLN 60 11.578 -3.374 3.117 242 HA GLN 60 HA GLN 60 12.806 -1.429 1.553 243 HB2 GLN 60 HB2 GLN 60 12.379 -1.335 4.540 244 HB3 GLN 60 HB3 GLN 60 12.561 0.046 3.469 245 HG2 GLN 60 HG2 GLN 60 10.377 -1.823 2.825 246 HG3 GLN 60 HG3 GLN 60 10.197 -0.891 4.309 247 HE21 GLN 60 HE21 GLN 60 9.979 1.345 4.186 248 HE22 GLN 60 HE22 GLN 60 9.612 2.154 2.706 249 H GLN 61 HN GLN 61 14.163 -3.527 3.993 250 HA GLN 61 HA GLN 61 16.617 -2.033 4.266 251 HB2 GLN 61 HB2 GLN 61 15.827 -4.807 5.162 252 HB3 GLN 61 HB3 GLN 61 17.378 -4.063 5.526 253 HG2 GLN 61 HG2 GLN 61 16.319 -2.341 6.809 254 HG3 GLN 61 HG3 GLN 61 14.721 -2.905 6.326 255 HE21 GLN 61 HE21 GLN 61 13.905 -4.816 7.223 256 HE22 GLN 61 HE22 GLN 61 14.569 -5.501 8.663 257 H ARG 62 HN ARG 62 15.445 -4.377 2.035 258 HA ARG 62 HA ARG 62 18.007 -5.422 1.273 259 HB2 ARG 62 HB2 ARG 62 15.347 -5.537 -0.160 260 HB3 ARG 62 HB3 ARG 62 16.773 -6.476 -0.580 261 HG2 ARG 62 HG2 ARG 62 16.638 -7.755 1.392 262 HG3 ARG 62 HG3 ARG 62 15.474 -6.648 2.120 263 HD2 ARG 62 HD2 ARG 62 13.878 -7.265 0.294 264 HD3 ARG 62 HD3 ARG 62 15.026 -8.502 -0.213 265 HE ARG 62 HE ARG 62 14.695 -9.153 2.340 266 HH11 ARG 62 HH11 ARG 62 12.304 -8.313 -0.082 267 HH12 ARG 62 HH12 ARG 62 11.066 -9.288 0.632 268 HH21 ARG 62 HH21 ARG 62 13.057 -10.432 3.272 269 HH22 ARG 62 HH22 ARG 62 11.491 -10.491 2.533 270 H LEU 63 HN LEU 63 15.771 -2.993 -0.044 271 HA LEU 63 HA LEU 63 17.743 -2.273 -2.100 272 HB2 LEU 63 HB2 LEU 63 14.841 -1.535 -1.773 273 HB3 LEU 63 HB3 LEU 63 15.881 -0.925 -3.046 274 HG LEU 63 HG LEU 63 16.250 -3.485 -3.546 275 HD11 LEU 63 HD11 LEU 63 13.585 -3.453 -2.139 276 HD12 LEU 63 HD12 LEU 63 15.025 -4.347 -1.657 277 HD13 LEU 63 HD13 LEU 63 14.183 -4.770 -3.147 278 HD21 LEU 63 HD21 LEU 63 15.297 -1.860 -5.092 279 HD22 LEU 63 HD22 LEU 63 13.734 -1.999 -4.288 280 HD23 LEU 63 HD23 LEU 63 14.409 -3.382 -5.149 281 H GLY 64 HN GLY 64 16.310 -1.064 0.853 282 HA2 GLY 64 HA2 GLY 64 17.297 0.688 2.101 283 HA3 GLY 64 HA1 GLY 64 17.987 1.329 0.618 284 H ILE 65 HN ILE 65 14.751 0.443 0.217 285 HA ILE 65 HA ILE 65 13.849 3.028 -0.368 286 HB ILE 65 HB ILE 65 12.157 0.643 0.400 287 HG12 ILE 65 HG12 ILE 65 12.996 1.532 -2.367 288 HG13 ILE 65 HG13 ILE 65 13.774 0.226 -1.478 289 HG21 ILE 65 HG21 ILE 65 11.500 3.152 -1.136 290 HG22 ILE 65 HG22 ILE 65 10.869 2.674 0.439 291 HG23 ILE 65 HG23 ILE 65 10.437 1.750 -0.999 292 HD11 ILE 65 HD11 ILE 65 11.759 -1.064 -1.503 293 HD12 ILE 65 HD12 ILE 65 12.121 -0.539 -3.147 294 HD13 ILE 65 HD13 ILE 65 10.860 0.273 -2.217 295 HA PRO 66 HA PRO 66 13.091 4.521 3.776 296 HB2 PRO 66 HB2 PRO 66 11.946 6.883 3.123 297 HB3 PRO 66 HB3 PRO 66 13.680 6.592 2.956 298 HG2 PRO 66 HG2 PRO 66 11.540 6.527 0.871 299 HG3 PRO 66 HG3 PRO 66 13.169 7.214 0.779 300 HD2 PRO 66 HD2 PRO 66 12.508 4.783 -0.266 301 HD3 PRO 66 HD3 PRO 66 14.136 5.183 0.317 302 H LYS 67 HN LYS 67 11.198 5.294 5.088 303 HA LYS 67 HA LYS 67 8.803 3.837 4.269 304 HB2 LYS 67 HB2 LYS 67 9.524 5.070 6.935 305 HB3 LYS 67 HB3 LYS 67 8.089 4.105 6.616 306 HG2 LYS 67 HG2 LYS 67 9.585 2.208 6.004 307 HG3 LYS 67 HG3 LYS 67 10.955 3.188 6.524 308 HD2 LYS 67 HD2 LYS 67 10.375 1.758 8.339 309 HD3 LYS 67 HD3 LYS 67 9.846 3.387 8.765 310 HE2 LYS 67 HE2 LYS 67 8.134 1.790 9.369 311 HE3 LYS 67 HE3 LYS 67 7.561 2.803 8.045 312 HZ1 LYS 67 HZ1 LYS 67 7.988 1.039 6.500 313 HZ2 LYS 67 HZ2 LYS 67 7.043 0.425 7.760 314 HZ3 LYS 67 HZ3 LYS 67 8.697 0.080 7.701 315 H ASP 68 HN ASP 68 8.859 5.887 2.667 316 HA ASP 68 HA ASP 68 6.537 7.388 3.328 317 HB2 ASP 68 HB2 ASP 68 8.195 8.661 4.647 318 HB3 ASP 68 HB3 ASP 68 9.116 8.956 3.178 319 HA PRO 69 HA PRO 69 6.484 7.036 -1.130 320 HB2 PRO 69 HB2 PRO 69 4.099 8.763 -0.909 321 HB3 PRO 69 HB3 PRO 69 4.254 7.127 -1.557 322 HG2 PRO 69 HG2 PRO 69 3.025 7.582 0.769 323 HG3 PRO 69 HG3 PRO 69 4.020 6.140 0.523 324 HD2 PRO 69 HD2 PRO 69 4.704 8.691 1.941 325 HD3 PRO 69 HD3 PRO 69 5.029 7.014 2.426 326 H ARG 70 HN ARG 70 5.765 10.254 0.335 327 HA ARG 70 HA ARG 70 6.196 11.828 -1.887 328 HB2 ARG 70 HB2 ARG 70 7.094 12.527 0.916 329 HB3 ARG 70 HB3 ARG 70 6.754 13.658 -0.383 330 HG2 ARG 70 HG2 ARG 70 4.681 13.809 0.375 331 HG3 ARG 70 HG3 ARG 70 4.429 12.128 -0.098 332 HD2 ARG 70 HD2 ARG 70 5.027 11.340 2.056 333 HD3 ARG 70 HD3 ARG 70 5.651 12.917 2.534 334 HE ARG 70 HE ARG 70 2.803 12.674 1.911 335 HH11 ARG 70 HH11 ARG 70 5.319 13.097 4.319 336 HH12 ARG 70 HH12 ARG 70 4.221 13.626 5.546 337 HH21 ARG 70 HH21 ARG 70 1.366 13.365 3.541 338 HH22 ARG 70 HH22 ARG 70 1.979 13.776 5.108 339 H GLN 71 HN GLN 71 8.627 10.382 0.227 340 HA GLN 71 HA GLN 71 10.759 11.533 -1.422 341 HB2 GLN 71 HB2 GLN 71 12.288 10.801 0.352 342 HB3 GLN 71 HB3 GLN 71 11.011 11.829 0.985 343 HG2 GLN 71 HG2 GLN 71 9.804 9.729 1.660 344 HG3 GLN 71 HG3 GLN 71 11.270 8.845 1.240 345 HE21 GLN 71 HE21 GLN 71 9.791 11.068 3.465 346 HE22 GLN 71 HE22 GLN 71 11.020 10.990 4.676 347 H TRP 72 HN TRP 72 9.278 9.624 -2.733 348 HA TRP 72 HA TRP 72 11.115 7.303 -2.809 349 HB2 TRP 72 HB2 TRP 72 8.145 7.509 -3.022 350 HB3 TRP 72 HB3 TRP 72 8.939 6.339 -4.059 351 HD1 TRP 72 HD1 TRP 72 10.659 6.682 -0.761 352 HE1 TRP 72 HE1 TRP 72 10.070 4.671 0.732 353 HE3 TRP 72 HE3 TRP 72 6.857 4.704 -3.537 354 HZ2 TRP 72 HZ2 TRP 72 8.234 2.524 0.729 355 HZ3 TRP 72 HZ3 TRP 72 5.737 2.670 -2.728 356 HH2 TRP 72 HH2 TRP 72 6.412 1.605 -0.642 357 H THR 73 HN THR 73 11.114 6.231 -5.032 358 HA THR 73 HA THR 73 10.696 8.134 -7.172 359 HB THR 73 HB THR 73 13.105 8.138 -6.647 360 HG1 THR 73 HG1 THR 73 12.737 8.523 -8.786 361 HG21 THR 73 HG21 THR 73 14.431 6.104 -7.114 362 HG22 THR 73 HG22 THR 73 12.931 5.204 -7.343 363 HG23 THR 73 HG23 THR 73 13.318 5.889 -5.764 364 H GLU 74 HN GLU 74 11.146 6.787 -9.412 365 HA GLU 74 HA GLU 74 8.962 5.139 -9.745 366 HB2 GLU 74 HB2 GLU 74 11.554 5.089 -11.303 367 HB3 GLU 74 HB3 GLU 74 10.041 4.364 -11.833 368 HG2 GLU 74 HG2 GLU 74 9.001 6.614 -11.756 369 HG3 GLU 74 HG3 GLU 74 10.585 7.288 -11.379 370 H THR 75 HN THR 75 12.293 4.162 -8.964 371 HA THR 75 HA THR 75 11.878 1.390 -9.137 372 HB THR 75 HB THR 75 13.849 2.809 -7.331 373 HG1 THR 75 HG1 THR 75 14.658 3.436 -9.188 374 HG21 THR 75 HG21 THR 75 13.645 0.448 -6.801 375 HG22 THR 75 HG22 THR 75 15.181 0.745 -7.615 376 HG23 THR 75 HG23 THR 75 13.838 0.024 -8.502 377 H HIS 76 HN HIS 76 11.792 3.564 -6.308 378 HA HIS 76 HA HIS 76 11.161 1.609 -4.391 379 HB2 HIS 76 HB2 HIS 76 10.448 4.550 -4.370 380 HB3 HIS 76 HB3 HIS 76 10.400 3.480 -2.973 381 HD1 HIS 76 HD1 HIS 76 12.121 5.754 -2.478 382 HD2 HIS 76 HD2 HIS 76 13.549 2.459 -4.566 383 HE1 HIS 76 HE1 HIS 76 14.623 5.868 -2.283 384 HE2 HIS 76 HE2 HIS 76 15.460 3.807 -3.462 385 H VAL 77 HN VAL 77 9.084 3.629 -6.415 386 HA VAL 77 HA VAL 77 6.587 2.956 -5.297 387 HB VAL 77 HB VAL 77 7.340 3.796 -8.107 388 HG11 VAL 77 HG11 VAL 77 4.938 4.316 -8.399 389 HG12 VAL 77 HG12 VAL 77 4.601 3.496 -6.874 390 HG13 VAL 77 HG13 VAL 77 5.250 2.587 -8.240 391 HG21 VAL 77 HG21 VAL 77 6.187 5.269 -5.741 392 HG22 VAL 77 HG22 VAL 77 6.365 5.952 -7.358 393 HG23 VAL 77 HG23 VAL 77 7.794 5.476 -6.439 394 H ARG 78 HN ARG 78 8.271 1.628 -8.165 395 HA ARG 78 HA ARG 78 6.367 -0.410 -8.721 396 HB2 ARG 78 HB2 ARG 78 7.905 0.445 -10.419 397 HB3 ARG 78 HB3 ARG 78 9.283 -0.159 -9.511 398 HG2 ARG 78 HG2 ARG 78 7.635 -2.377 -9.876 399 HG3 ARG 78 HG3 ARG 78 7.596 -1.512 -11.413 400 HD2 ARG 78 HD2 ARG 78 9.419 -3.023 -11.529 401 HD3 ARG 78 HD3 ARG 78 10.100 -1.413 -11.301 402 HE ARG 78 HE ARG 78 9.723 -3.172 -8.981 403 HH11 ARG 78 HH11 ARG 78 11.893 -1.445 -11.132 404 HH12 ARG 78 HH12 ARG 78 13.266 -1.656 -10.103 405 HH21 ARG 78 HH21 ARG 78 11.544 -3.443 -7.643 406 HH22 ARG 78 HH22 ARG 78 13.071 -2.786 -8.127 407 H ASP 79 HN ASP 79 9.541 -0.522 -7.052 408 HA ASP 79 HA ASP 79 9.558 -3.269 -6.594 409 HB2 ASP 79 HB2 ASP 79 11.509 -1.782 -6.194 410 HB3 ASP 79 HB3 ASP 79 10.706 -1.124 -4.771 411 H TRP 80 HN TRP 80 8.017 -0.665 -4.768 412 HA TRP 80 HA TRP 80 7.226 -2.307 -2.597 413 HB2 TRP 80 HB2 TRP 80 7.183 -0.034 -2.044 414 HB3 TRP 80 HB3 TRP 80 6.394 0.419 -3.550 415 HD1 TRP 80 HD1 TRP 80 5.484 -1.472 -0.277 416 HE1 TRP 80 HE1 TRP 80 3.012 -0.993 0.242 417 HE3 TRP 80 HE3 TRP 80 4.320 1.317 -4.395 418 HZ2 TRP 80 HZ2 TRP 80 0.850 0.384 -0.939 419 HZ3 TRP 80 HZ3 TRP 80 2.027 2.177 -4.627 420 HH2 TRP 80 HH2 TRP 80 0.330 1.719 -2.935 421 H VAL 81 HN VAL 81 5.204 -0.844 -5.170 422 HA VAL 81 HA VAL 81 2.896 -2.193 -4.958 423 HB VAL 81 HB VAL 81 4.387 -1.619 -7.525 424 HG11 VAL 81 HG11 VAL 81 2.780 -3.359 -7.998 425 HG12 VAL 81 HG12 VAL 81 2.197 -1.830 -8.654 426 HG13 VAL 81 HG13 VAL 81 1.513 -2.463 -7.157 427 HG21 VAL 81 HG21 VAL 81 2.129 -0.167 -6.151 428 HG22 VAL 81 HG22 VAL 81 2.889 0.298 -7.673 429 HG23 VAL 81 HG23 VAL 81 3.818 0.337 -6.176 430 H MET 82 HN MET 82 5.698 -3.471 -6.767 431 HA MET 82 HA MET 82 4.657 -5.953 -7.457 432 HB2 MET 82 HB2 MET 82 6.865 -4.844 -8.160 433 HB3 MET 82 HB3 MET 82 7.542 -5.536 -6.693 434 HG2 MET 82 HG2 MET 82 7.203 -7.736 -7.452 435 HG3 MET 82 HG3 MET 82 6.152 -7.203 -8.764 436 HE1 MET 82 HE1 MET 82 7.022 -5.733 -10.811 437 HE2 MET 82 HE2 MET 82 8.720 -5.366 -11.110 438 HE3 MET 82 HE3 MET 82 7.879 -4.608 -9.759 439 H TRP 83 HN TRP 83 6.489 -5.018 -4.566 440 HA TRP 83 HA TRP 83 6.554 -7.515 -3.302 441 HB2 TRP 83 HB2 TRP 83 8.006 -5.905 -2.419 442 HB3 TRP 83 HB3 TRP 83 6.754 -4.675 -2.343 443 HD1 TRP 83 HD1 TRP 83 8.205 -7.596 -0.372 444 HE1 TRP 83 HE1 TRP 83 7.258 -7.533 2.019 445 HE3 TRP 83 HE3 TRP 83 4.696 -3.930 -0.987 446 HZ2 TRP 83 HZ2 TRP 83 5.280 -6.116 3.455 447 HZ3 TRP 83 HZ3 TRP 83 3.318 -3.279 0.944 448 HH2 TRP 83 HH2 TRP 83 3.605 -4.351 3.119 449 H ALA 84 HN ALA 84 4.102 -4.966 -3.283 450 HA ALA 84 HA ALA 84 2.480 -6.169 -1.255 451 HB1 ALA 84 HB1 ALA 84 0.794 -4.503 -1.925 452 HB2 ALA 84 HB2 ALA 84 1.799 -4.055 -3.305 453 HB3 ALA 84 HB3 ALA 84 2.381 -3.777 -1.663 454 H VAL 85 HN VAL 85 2.894 -6.732 -4.623 455 HA VAL 85 HA VAL 85 0.277 -7.904 -5.042 456 HB VAL 85 HB VAL 85 2.732 -7.801 -6.804 457 HG11 VAL 85 HG11 VAL 85 1.230 -8.629 -8.599 458 HG12 VAL 85 HG12 VAL 85 0.005 -8.955 -7.373 459 HG13 VAL 85 HG13 VAL 85 1.541 -9.820 -7.337 460 HG21 VAL 85 HG21 VAL 85 1.547 -5.666 -6.451 461 HG22 VAL 85 HG22 VAL 85 0.066 -6.410 -7.048 462 HG23 VAL 85 HG23 VAL 85 1.453 -6.222 -8.121 463 H ASN 86 HN ASN 86 3.566 -8.936 -4.354 464 HA ASN 86 HA ASN 86 2.988 -11.744 -4.691 465 HB2 ASN 86 HB2 ASN 86 5.405 -10.390 -3.465 466 HB3 ASN 86 HB3 ASN 86 5.286 -12.091 -3.903 467 HD21 ASN 86 HD21 ASN 86 7.104 -9.946 -4.822 468 HD22 ASN 86 HD22 ASN 86 6.955 -9.931 -6.543 469 H GLU 87 HN GLU 87 3.316 -9.458 -2.013 470 HA GLU 87 HA GLU 87 3.181 -11.415 0.060 471 HB2 GLU 87 HB2 GLU 87 2.682 -8.432 0.094 472 HB3 GLU 87 HB3 GLU 87 2.730 -9.440 1.532 473 HG2 GLU 87 HG2 GLU 87 5.037 -9.290 -0.377 474 HG3 GLU 87 HG3 GLU 87 4.824 -8.133 0.934 475 H PHE 88 HN PHE 88 0.800 -9.380 -1.587 476 HA PHE 88 HA PHE 88 -1.344 -10.560 0.027 477 HB2 PHE 88 HB2 PHE 88 -1.327 -8.199 -1.851 478 HB3 PHE 88 HB3 PHE 88 -2.775 -8.816 -1.069 479 HD1 PHE 88 HD2 PHE 88 0.582 -7.393 -0.362 480 HD2 PHE 88 HD1 PHE 88 -3.362 -8.112 1.066 481 HE1 PHE 88 HE2 PHE 88 1.034 -5.968 1.590 482 HE2 PHE 88 HE1 PHE 88 -2.916 -6.686 3.021 483 HZ PHE 88 HZ PHE 88 -0.718 -5.613 3.283 484 H SER 89 HN SER 89 0.229 -11.480 -2.658 485 HA SER 89 HA SER 89 -0.276 -12.532 -4.627 486 HB2 SER 89 HB2 SER 89 -2.444 -13.648 -2.827 487 HB3 SER 89 HB3 SER 89 -1.925 -14.366 -4.352 488 HG SER 89 HG SER 89 -0.598 -15.394 -3.065 489 H LEU 90 HN LEU 90 -1.080 -10.080 -4.996 490 HA LEU 90 HA LEU 90 -3.891 -9.939 -5.601 491 HB2 LEU 90 HB2 LEU 90 -1.720 -7.916 -6.128 492 HB3 LEU 90 HB3 LEU 90 -3.445 -7.622 -6.216 493 HG LEU 90 HG LEU 90 -1.869 -8.267 -3.724 494 HD11 LEU 90 HD11 LEU 90 -1.622 -5.967 -4.661 495 HD12 LEU 90 HD12 LEU 90 -2.327 -6.029 -3.045 496 HD13 LEU 90 HD13 LEU 90 -3.361 -5.756 -4.447 497 HD21 LEU 90 HD21 LEU 90 -3.964 -7.920 -2.519 498 HD22 LEU 90 HD22 LEU 90 -4.089 -9.277 -3.638 499 HD23 LEU 90 HD23 LEU 90 -4.819 -7.724 -4.049 500 H LYS 91 HN LYS 91 -4.573 -9.022 -7.767 501 HA LYS 91 HA LYS 91 -2.883 -9.744 -10.010 502 HB2 LYS 91 HB2 LYS 91 -4.524 -11.250 -11.029 503 HB3 LYS 91 HB3 LYS 91 -3.950 -11.876 -9.491 504 HG2 LYS 91 HG2 LYS 91 -6.501 -10.317 -9.665 505 HG3 LYS 91 HG3 LYS 91 -6.453 -12.040 -10.037 506 HD2 LYS 91 HD2 LYS 91 -5.488 -12.460 -7.798 507 HD3 LYS 91 HD3 LYS 91 -5.639 -10.739 -7.436 508 HE2 LYS 91 HE2 LYS 91 -8.065 -10.893 -7.764 509 HE3 LYS 91 HE3 LYS 91 -7.905 -12.615 -8.103 510 HZ1 LYS 91 HZ1 LYS 91 -7.058 -12.944 -5.866 511 HZ2 LYS 91 HZ2 LYS 91 -8.583 -12.214 -5.818 512 HZ3 LYS 91 HZ3 LYS 91 -7.194 -11.288 -5.541 513 H GLY 92 HN GLY 92 -3.610 -8.951 -12.024 514 HA2 GLY 92 HA2 GLY 92 -4.975 -7.682 -13.453 515 HA3 GLY 92 HA1 GLY 92 -5.998 -7.277 -12.085 516 H VAL 93 HN VAL 93 -3.129 -6.603 -10.806 517 HA VAL 93 HA VAL 93 -3.372 -3.792 -11.349 518 HB VAL 93 HB VAL 93 -2.873 -4.594 -9.077 519 HG11 VAL 93 HG11 VAL 93 -0.689 -5.448 -8.492 520 HG12 VAL 93 HG12 VAL 93 -0.174 -5.362 -10.175 521 HG13 VAL 93 HG13 VAL 93 -1.438 -6.494 -9.697 522 HG21 VAL 93 HG21 VAL 93 -2.269 -2.320 -9.722 523 HG22 VAL 93 HG22 VAL 93 -0.690 -2.888 -10.263 524 HG23 VAL 93 HG23 VAL 93 -1.121 -2.977 -8.556 525 H ASP 94 HN ASP 94 -2.081 -2.521 -12.567 526 HA ASP 94 HA ASP 94 -0.022 -3.882 -14.167 527 HB2 ASP 94 HB2 ASP 94 -1.950 -2.851 -15.372 528 HB3 ASP 94 HB3 ASP 94 -1.446 -1.280 -14.758 529 H PHE 95 HN PHE 95 2.040 -3.140 -14.278 530 HA PHE 95 HA PHE 95 2.864 -1.250 -12.215 531 HB2 PHE 95 HB2 PHE 95 4.441 -3.052 -14.072 532 HB3 PHE 95 HB3 PHE 95 5.182 -1.956 -12.910 533 HD1 PHE 95 HD1 PHE 95 3.269 -5.047 -13.334 534 HD2 PHE 95 HD2 PHE 95 5.089 -2.400 -10.542 535 HE1 PHE 95 HE1 PHE 95 3.079 -6.766 -11.585 536 HE2 PHE 95 HE2 PHE 95 4.904 -4.115 -8.793 537 HZ PHE 95 HZ PHE 95 3.898 -6.301 -9.310 538 H GLN 96 HN GLN 96 2.552 -1.335 -15.701 539 HA GLN 96 HA GLN 96 4.250 0.829 -16.344 540 HB2 GLN 96 HB2 GLN 96 1.666 0.137 -17.750 541 HB3 GLN 96 HB3 GLN 96 3.042 0.996 -18.417 542 HG2 GLN 96 HG2 GLN 96 2.998 -1.897 -17.584 543 HG3 GLN 96 HG3 GLN 96 2.941 -1.287 -19.236 544 HE21 GLN 96 HE21 GLN 96 4.805 -0.425 -20.165 545 HE22 GLN 96 HE22 GLN 96 6.371 -0.684 -19.486 546 H LYS 97 HN LYS 97 1.035 0.671 -14.986 547 HA LYS 97 HA LYS 97 0.243 3.366 -15.383 548 HB2 LYS 97 HB2 LYS 97 -0.570 1.400 -13.233 549 HB3 LYS 97 HB3 LYS 97 -1.393 2.906 -13.605 550 HG2 LYS 97 HG2 LYS 97 -1.104 0.555 -15.459 551 HG3 LYS 97 HG3 LYS 97 -2.554 0.996 -14.560 552 HD2 LYS 97 HD2 LYS 97 -2.572 3.170 -15.762 553 HD3 LYS 97 HD3 LYS 97 -1.208 2.604 -16.727 554 HE2 LYS 97 HE2 LYS 97 -3.909 1.267 -16.578 555 HE3 LYS 97 HE3 LYS 97 -3.377 2.335 -17.875 556 HZ1 LYS 97 HZ1 LYS 97 -3.103 0.036 -18.505 557 HZ2 LYS 97 HZ2 LYS 97 -2.150 -0.270 -17.143 558 HZ3 LYS 97 HZ3 LYS 97 -1.584 0.763 -18.357 559 H PHE 98 HN PHE 98 2.193 1.762 -12.912 560 HA PHE 98 HA PHE 98 2.342 4.252 -11.365 561 HB2 PHE 98 HB2 PHE 98 3.470 1.552 -10.615 562 HB3 PHE 98 HB3 PHE 98 3.248 2.944 -9.564 563 HD1 PHE 98 HD1 PHE 98 0.650 3.824 -9.681 564 HD2 PHE 98 HD2 PHE 98 2.023 -0.163 -10.256 565 HE1 PHE 98 HE1 PHE 98 -1.564 2.971 -9.029 566 HE2 PHE 98 HE2 PHE 98 -0.187 -1.021 -9.609 567 HZ PHE 98 HZ PHE 98 -1.982 0.545 -8.995 568 H CYS 99 HN CYS 99 3.731 3.996 -13.944 569 HA CYS 99 HA CYS 99 6.529 3.658 -13.278 570 HB2 CYS 99 HB2 CYS 99 5.606 2.985 -15.499 571 HB3 CYS 99 HB3 CYS 99 5.290 4.680 -15.851 572 HG CYS 99 HG CYS 99 8.125 5.286 -15.511 573 H MET 100 HN MET 100 6.144 5.381 -11.553 574 HA MET 100 HA MET 100 7.346 7.841 -12.466 575 HB2 MET 100 HB2 MET 100 5.634 9.348 -11.753 576 HB3 MET 100 HB3 MET 100 4.858 8.171 -12.803 577 HG2 MET 100 HG2 MET 100 4.244 6.931 -10.650 578 HG3 MET 100 HG3 MET 100 4.684 8.423 -9.824 579 HE1 MET 100 HE1 MET 100 1.157 7.876 -12.734 580 HE2 MET 100 HE2 MET 100 2.158 6.578 -12.085 581 HE3 MET 100 HE3 MET 100 2.829 7.700 -13.268 582 H SER 101 HN SER 101 7.741 9.337 -10.560 583 HA SER 101 HA SER 101 8.900 7.790 -8.432 584 HB2 SER 101 HB2 SER 101 9.684 9.959 -7.573 585 HB3 SER 101 HB3 SER 101 9.995 9.829 -9.303 586 HG SER 101 HG SER 101 8.314 11.533 -7.926 587 H GLY 102 HN GLY 102 8.548 8.295 -6.134 588 HA2 GLY 102 HA2 GLY 102 5.900 7.837 -5.357 589 HA3 GLY 102 HA1 GLY 102 7.202 8.321 -4.282 590 H ALA 103 HN ALA 103 7.773 10.858 -5.423 591 HA ALA 103 HA ALA 103 5.966 12.512 -4.077 592 HB1 ALA 103 HB1 ALA 103 8.244 13.194 -4.648 593 HB2 ALA 103 HB2 ALA 103 7.063 14.367 -5.232 594 HB3 ALA 103 HB3 ALA 103 7.812 13.235 -6.358 595 H ALA 104 HN ALA 104 6.116 11.549 -7.486 596 HA ALA 104 HA ALA 104 3.976 13.223 -8.361 597 HB1 ALA 104 HB1 ALA 104 5.716 12.307 -9.870 598 HB2 ALA 104 HB2 ALA 104 4.075 11.970 -10.421 599 HB3 ALA 104 HB3 ALA 104 5.023 10.701 -9.647 600 H LEU 105 HN LEU 105 4.239 9.804 -7.455 601 HA LEU 105 HA LEU 105 1.615 8.994 -7.966 602 HB2 LEU 105 HB2 LEU 105 3.689 7.611 -7.336 603 HB3 LEU 105 HB3 LEU 105 3.271 7.972 -5.672 604 HG LEU 105 HG LEU 105 1.044 6.905 -6.072 605 HD11 LEU 105 HD11 LEU 105 2.332 6.057 -8.663 606 HD12 LEU 105 HD12 LEU 105 0.946 7.134 -8.489 607 HD13 LEU 105 HD13 LEU 105 0.809 5.440 -8.022 608 HD21 LEU 105 HD21 LEU 105 2.867 5.714 -4.971 609 HD22 LEU 105 HD22 LEU 105 3.474 5.180 -6.538 610 HD23 LEU 105 HD23 LEU 105 1.905 4.619 -5.962 611 H CYS 106 HN CYS 106 3.026 10.441 -5.042 612 HA CYS 106 HA CYS 106 0.702 10.263 -3.441 613 HB2 CYS 106 HB2 CYS 106 2.932 10.655 -2.489 614 HB3 CYS 106 HB3 CYS 106 3.005 12.225 -3.281 615 HG CYS 106 HG CYS 106 1.319 13.525 -1.676 616 H ALA 107 HN ALA 107 1.959 12.789 -5.575 617 HA ALA 107 HA ALA 107 0.055 14.784 -5.033 618 HB1 ALA 107 HB1 ALA 107 0.763 15.808 -7.105 619 HB2 ALA 107 HB2 ALA 107 1.504 14.297 -7.632 620 HB3 ALA 107 HB3 ALA 107 2.166 15.167 -6.249 621 H LEU 108 HN LEU 108 -0.054 11.983 -7.152 622 HA LEU 108 HA LEU 108 -2.237 12.669 -8.746 623 HB2 LEU 108 HB2 LEU 108 -1.193 10.011 -7.819 624 HB3 LEU 108 HB3 LEU 108 -2.558 10.143 -8.908 625 HG LEU 108 HG LEU 108 0.246 11.120 -9.452 626 HD11 LEU 108 HD11 LEU 108 -1.342 8.815 -10.566 627 HD12 LEU 108 HD12 LEU 108 0.097 8.717 -9.553 628 HD13 LEU 108 HD13 LEU 108 0.213 9.367 -11.188 629 HD21 LEU 108 HD21 LEU 108 -1.370 12.587 -10.503 630 HD22 LEU 108 HD22 LEU 108 -2.227 11.200 -11.177 631 HD23 LEU 108 HD23 LEU 108 -0.593 11.578 -11.721 632 H GLY 109 HN GLY 109 -2.131 11.396 -5.467 633 HA2 GLY 109 HA2 GLY 109 -3.802 11.349 -3.873 634 HA3 GLY 109 HA1 GLY 109 -4.899 12.045 -5.057 635 H LYS 110 HN LYS 110 -6.081 10.283 -3.560 636 HA LYS 110 HA LYS 110 -5.829 7.563 -4.200 637 HB2 LYS 110 HB2 LYS 110 -7.068 8.348 -2.241 638 HB3 LYS 110 HB3 LYS 110 -8.283 9.074 -3.285 639 HG2 LYS 110 HG2 LYS 110 -8.896 6.866 -4.122 640 HG3 LYS 110 HG3 LYS 110 -7.667 6.132 -3.095 641 HD2 LYS 110 HD2 LYS 110 -9.730 5.884 -1.957 642 HD3 LYS 110 HD3 LYS 110 -8.852 7.170 -1.129 643 HE2 LYS 110 HE2 LYS 110 -11.160 7.813 -1.389 644 HE3 LYS 110 HE3 LYS 110 -10.150 8.836 -2.408 645 HZ1 LYS 110 HZ1 LYS 110 -11.635 6.455 -3.382 646 HZ2 LYS 110 HZ2 LYS 110 -10.788 7.576 -4.324 647 HZ3 LYS 110 HZ3 LYS 110 -12.195 8.045 -3.511 648 H GLU 111 HN GLU 111 -7.987 10.050 -5.565 649 HA GLU 111 HA GLU 111 -9.509 8.523 -7.292 650 HB2 GLU 111 HB2 GLU 111 -9.973 10.859 -6.972 651 HB3 GLU 111 HB3 GLU 111 -8.411 11.322 -7.633 652 HG2 GLU 111 HG2 GLU 111 -10.180 11.740 -9.228 653 HG3 GLU 111 HG3 GLU 111 -9.086 10.493 -9.825 654 H CYS 112 HN CYS 112 -6.630 10.362 -8.383 655 HA CYS 112 HA CYS 112 -6.437 9.147 -10.876 656 HB2 CYS 112 HB2 CYS 112 -4.299 10.407 -9.160 657 HB3 CYS 112 HB3 CYS 112 -4.049 9.931 -10.835 658 HG CYS 112 HG CYS 112 -6.399 12.216 -9.850 659 H PHE 113 HN PHE 113 -4.950 8.183 -7.789 660 HA PHE 113 HA PHE 113 -3.314 6.140 -8.816 661 HB2 PHE 113 HB2 PHE 113 -3.137 7.116 -6.521 662 HB3 PHE 113 HB3 PHE 113 -4.599 6.241 -6.078 663 HD1 PHE 113 HD1 PHE 113 -1.062 5.918 -6.985 664 HD2 PHE 113 HD2 PHE 113 -4.560 3.885 -5.669 665 HE1 PHE 113 HE1 PHE 113 0.300 3.952 -6.409 666 HE2 PHE 113 HE2 PHE 113 -3.204 1.917 -5.091 667 HZ PHE 113 HZ PHE 113 -0.769 1.948 -5.461 668 H LEU 114 HN LEU 114 -6.654 6.072 -7.584 669 HA LEU 114 HA LEU 114 -7.012 3.286 -7.842 670 HB2 LEU 114 HB2 LEU 114 -8.734 5.623 -7.360 671 HB3 LEU 114 HB3 LEU 114 -9.538 4.274 -8.141 672 HG LEU 114 HG LEU 114 -8.987 2.806 -6.299 673 HD11 LEU 114 HD11 LEU 114 -7.832 3.618 -4.306 674 HD12 LEU 114 HD12 LEU 114 -7.558 5.172 -5.092 675 HD13 LEU 114 HD13 LEU 114 -6.796 3.715 -5.730 676 HD21 LEU 114 HD21 LEU 114 -10.099 5.439 -5.335 677 HD22 LEU 114 HD22 LEU 114 -10.271 3.887 -4.514 678 HD23 LEU 114 HD23 LEU 114 -11.013 4.135 -6.095 679 H GLU 115 HN GLU 115 -7.299 5.930 -10.125 680 HA GLU 115 HA GLU 115 -8.627 4.456 -12.168 681 HB2 GLU 115 HB2 GLU 115 -6.848 6.894 -12.394 682 HB3 GLU 115 HB3 GLU 115 -7.881 6.269 -13.671 683 HG2 GLU 115 HG2 GLU 115 -8.748 7.452 -11.047 684 HG3 GLU 115 HG3 GLU 115 -8.953 8.146 -12.652 685 H LEU 116 HN LEU 116 -5.348 4.658 -11.069 686 HA LEU 116 HA LEU 116 -4.204 3.481 -13.462 687 HB2 LEU 116 HB2 LEU 116 -3.003 4.166 -10.777 688 HB3 LEU 116 HB3 LEU 116 -2.094 3.538 -12.136 689 HG LEU 116 HG LEU 116 -3.604 6.148 -12.197 690 HD11 LEU 116 HD11 LEU 116 -0.676 5.632 -11.693 691 HD12 LEU 116 HD12 LEU 116 -1.840 6.277 -10.536 692 HD13 LEU 116 HD13 LEU 116 -1.405 7.215 -11.964 693 HD21 LEU 116 HD21 LEU 116 -3.240 5.145 -14.385 694 HD22 LEU 116 HD22 LEU 116 -1.522 4.969 -14.032 695 HD23 LEU 116 HD23 LEU 116 -2.233 6.577 -14.178 696 H ALA 117 HN ALA 117 -5.077 2.533 -10.182 697 HA ALA 117 HA ALA 117 -4.065 -0.178 -10.629 698 HB1 ALA 117 HB1 ALA 117 -5.280 0.852 -8.085 699 HB2 ALA 117 HB2 ALA 117 -3.593 1.136 -8.506 700 HB3 ALA 117 HB3 ALA 117 -4.186 -0.514 -8.308 701 HA PRO 118 HA PRO 118 -7.974 -2.143 -11.187 702 HB2 PRO 118 HB2 PRO 118 -7.465 -4.049 -9.003 703 HB3 PRO 118 HB3 PRO 118 -7.618 -4.343 -10.738 704 HG2 PRO 118 HG2 PRO 118 -5.256 -4.523 -9.478 705 HG3 PRO 118 HG3 PRO 118 -5.387 -3.916 -11.140 706 HD2 PRO 118 HD2 PRO 118 -5.063 -2.388 -8.582 707 HD3 PRO 118 HD3 PRO 118 -4.274 -2.134 -10.153 708 H ASP 119 HN ASP 119 -9.954 -3.014 -10.067 709 HA ASP 119 HA ASP 119 -11.089 -1.076 -8.385 710 HB2 ASP 119 HB2 ASP 119 -12.415 -2.429 -9.919 711 HB3 ASP 119 HB3 ASP 119 -12.032 -3.874 -8.988 712 H PHE 120 HN PHE 120 -9.423 -4.039 -7.637 713 HA PHE 120 HA PHE 120 -10.205 -3.680 -4.841 714 HB2 PHE 120 HB2 PHE 120 -9.342 -6.206 -6.245 715 HB3 PHE 120 HB3 PHE 120 -9.475 -6.093 -4.493 716 HD1 PHE 120 HD2 PHE 120 -11.668 -5.784 -3.433 717 HD2 PHE 120 HD1 PHE 120 -11.279 -6.353 -7.633 718 HE1 PHE 120 HE2 PHE 120 -14.066 -6.314 -3.580 719 HE2 PHE 120 HE1 PHE 120 -13.676 -6.883 -7.787 720 HZ PHE 120 HZ PHE 120 -15.073 -6.864 -5.758 721 H VAL 121 HN VAL 121 -7.409 -4.617 -6.825 722 HA VAL 121 HA VAL 121 -5.481 -4.563 -4.796 723 HB VAL 121 HB VAL 121 -5.139 -3.960 -7.734 724 HG11 VAL 121 HG11 VAL 121 -2.753 -4.748 -7.223 725 HG12 VAL 121 HG12 VAL 121 -3.141 -4.379 -5.543 726 HG13 VAL 121 HG13 VAL 121 -3.202 -3.107 -6.761 727 HG21 VAL 121 HG21 VAL 121 -6.018 -6.151 -7.471 728 HG22 VAL 121 HG22 VAL 121 -4.920 -6.499 -6.136 729 HG23 VAL 121 HG23 VAL 121 -4.289 -6.324 -7.774 730 H GLY 122 HN GLY 122 -6.712 -1.956 -6.868 731 HA2 GLY 122 HA2 GLY 122 -4.919 0.065 -6.288 732 HA3 GLY 122 HA1 GLY 122 -6.623 0.327 -6.618 733 H ASP 123 HN ASP 123 -7.666 -1.021 -4.335 734 HA ASP 123 HA ASP 123 -7.563 1.049 -2.423 735 HB2 ASP 123 HB2 ASP 123 -8.653 -1.756 -2.299 736 HB3 ASP 123 HB3 ASP 123 -8.801 -0.619 -0.963 737 H ILE 124 HN ILE 124 -6.200 -2.241 -2.386 738 HA ILE 124 HA ILE 124 -5.023 -2.172 0.133 739 HB ILE 124 HB ILE 124 -4.080 -3.619 -2.341 740 HG12 ILE 124 HG12 ILE 124 -5.818 -4.477 -0.017 741 HG13 ILE 124 HG13 ILE 124 -6.328 -4.260 -1.688 742 HG21 ILE 124 HG21 ILE 124 -2.260 -3.449 -0.758 743 HG22 ILE 124 HG22 ILE 124 -2.871 -5.102 -0.790 744 HG23 ILE 124 HG23 ILE 124 -3.299 -4.029 0.543 745 HD11 ILE 124 HD11 ILE 124 -6.081 -6.601 -1.198 746 HD12 ILE 124 HD12 ILE 124 -4.423 -6.344 -0.655 747 HD13 ILE 124 HD13 ILE 124 -4.844 -6.103 -2.351 748 H LEU 125 HN LEU 125 -3.624 -1.271 -3.005 749 HA LEU 125 HA LEU 125 -1.051 -0.655 -2.002 750 HB2 LEU 125 HB2 LEU 125 -2.447 0.360 -4.497 751 HB3 LEU 125 HB3 LEU 125 -0.738 0.553 -4.155 752 HG LEU 125 HG LEU 125 -2.168 -2.073 -4.567 753 HD11 LEU 125 HD11 LEU 125 -1.950 -0.817 -6.630 754 HD12 LEU 125 HD12 LEU 125 -0.850 -2.195 -6.628 755 HD13 LEU 125 HD13 LEU 125 -0.230 -0.573 -6.321 756 HD21 LEU 125 HD21 LEU 125 -0.341 -2.324 -2.996 757 HD22 LEU 125 HD22 LEU 125 0.749 -1.474 -4.091 758 HD23 LEU 125 HD23 LEU 125 0.091 -3.046 -4.546 759 H TRP 126 HN TRP 126 -3.667 1.643 -2.998 760 HA TRP 126 HA TRP 126 -2.259 3.887 -1.977 761 HB2 TRP 126 HB2 TRP 126 -3.850 4.769 -3.347 762 HB3 TRP 126 HB3 TRP 126 -4.927 3.390 -3.147 763 HD1 TRP 126 HD1 TRP 126 -4.401 6.934 -1.992 764 HE1 TRP 126 HE1 TRP 126 -6.270 7.602 -0.356 765 HE3 TRP 126 HE3 TRP 126 -6.512 2.344 -1.266 766 HZ2 TRP 126 HZ2 TRP 126 -8.366 6.339 1.062 767 HZ3 TRP 126 HZ3 TRP 126 -8.441 2.153 0.246 768 HH2 TRP 126 HH2 TRP 126 -9.346 4.109 1.387 769 H GLU 127 HN GLU 127 -4.321 1.559 -0.352 770 HA GLU 127 HA GLU 127 -4.943 3.170 1.907 771 HB2 GLU 127 HB2 GLU 127 -6.029 0.968 1.352 772 HB3 GLU 127 HB3 GLU 127 -4.559 0.157 1.874 773 HG2 GLU 127 HG2 GLU 127 -6.339 0.183 3.582 774 HG3 GLU 127 HG3 GLU 127 -4.844 0.951 4.116 775 H HIS 128 HN HIS 128 -2.372 0.707 1.443 776 HA HIS 128 HA HIS 128 -1.018 1.387 3.858 777 HB2 HIS 128 HB2 HIS 128 -0.830 -0.838 2.784 778 HB3 HIS 128 HB3 HIS 128 0.021 -0.099 1.435 779 HD1 HIS 128 HD1 HIS 128 2.047 -1.676 1.978 780 HD2 HIS 128 HD2 HIS 128 1.127 1.072 4.956 781 HE1 HIS 128 HE1 HIS 128 4.042 -1.650 3.506 782 HE2 HIS 128 HE2 HIS 128 3.516 0.118 5.221 783 H LEU 129 HN LEU 129 -0.740 2.355 0.494 784 HA LEU 129 HA LEU 129 1.721 3.715 0.591 785 HB2 LEU 129 HB2 LEU 129 0.458 3.102 -1.471 786 HB3 LEU 129 HB3 LEU 129 -0.698 4.364 -1.103 787 HG LEU 129 HG LEU 129 1.118 6.043 -1.309 788 HD11 LEU 129 HD11 LEU 129 2.744 3.691 -2.263 789 HD12 LEU 129 HD12 LEU 129 3.011 4.604 -0.778 790 HD13 LEU 129 HD13 LEU 129 3.229 5.384 -2.344 791 HD21 LEU 129 HD21 LEU 129 -0.367 5.551 -3.183 792 HD22 LEU 129 HD22 LEU 129 0.719 4.265 -3.713 793 HD23 LEU 129 HD23 LEU 129 1.259 5.945 -3.744 794 H GLU 130 HN GLU 130 -1.614 4.877 1.114 795 HA GLU 130 HA GLU 130 -0.927 7.558 1.577 796 HB2 GLU 130 HB2 GLU 130 -3.226 6.722 1.050 797 HB3 GLU 130 HB3 GLU 130 -3.315 6.087 2.687 798 HG2 GLU 130 HG2 GLU 130 -3.113 8.331 3.590 799 HG3 GLU 130 HG3 GLU 130 -2.960 8.985 1.959 800 H ILE 131 HN ILE 131 -1.147 4.755 3.665 801 HA ILE 131 HA ILE 131 -0.902 6.030 6.162 802 HB ILE 131 HB ILE 131 -0.178 3.261 5.216 803 HG12 ILE 131 HG12 ILE 131 -2.322 4.192 7.132 804 HG13 ILE 131 HG13 ILE 131 -2.586 3.985 5.405 805 HG21 ILE 131 HG21 ILE 131 0.098 2.642 7.591 806 HG22 ILE 131 HG22 ILE 131 0.030 4.352 8.017 807 HG23 ILE 131 HG23 ILE 131 1.347 3.742 7.013 808 HD11 ILE 131 HD11 ILE 131 -1.878 1.860 7.405 809 HD12 ILE 131 HD12 ILE 131 -1.932 1.601 5.661 810 HD13 ILE 131 HD13 ILE 131 -3.397 2.053 6.532 811 H LEU 132 HN LEU 132 1.518 4.739 3.910 812 HA LEU 132 HA LEU 132 3.839 5.187 5.395 813 HB2 LEU 132 HB2 LEU 132 3.358 5.249 2.421 814 HB3 LEU 132 HB3 LEU 132 4.954 5.342 3.139 815 HG LEU 132 HG LEU 132 3.056 3.026 3.526 816 HD11 LEU 132 HD11 LEU 132 4.507 1.811 1.981 817 HD12 LEU 132 HD12 LEU 132 5.428 3.286 1.685 818 HD13 LEU 132 HD13 LEU 132 3.737 3.188 1.195 819 HD21 LEU 132 HD21 LEU 132 5.974 3.384 4.204 820 HD22 LEU 132 HD22 LEU 132 5.063 1.883 4.367 821 HD23 LEU 132 HD23 LEU 132 4.635 3.284 5.349 822 H GLN 133 HN GLN 133 1.936 7.393 3.396 823 HA GLN 133 HA GLN 133 3.732 9.537 3.260 824 HB2 GLN 133 HB2 GLN 133 0.717 9.666 3.358 825 HB3 GLN 133 HB3 GLN 133 1.787 10.931 2.774 826 HG2 GLN 133 HG2 GLN 133 2.481 9.559 0.927 827 HG3 GLN 133 HG3 GLN 133 1.554 8.196 1.551 828 HE21 GLN 133 HE21 GLN 133 0.331 8.021 -0.317 829 HE22 GLN 133 HE22 GLN 133 -0.897 9.164 -0.726 830 H LYS 134 HN LYS 134 1.054 8.984 5.545 831 HA LYS 134 HA LYS 134 1.355 11.226 7.130 832 HB2 LYS 134 HB2 LYS 134 0.546 8.447 8.004 833 HB3 LYS 134 HB3 LYS 134 0.269 9.918 8.925 834 HG2 LYS 134 HG2 LYS 134 -1.152 10.772 7.122 835 HG3 LYS 134 HG3 LYS 134 -0.887 9.282 6.217 836 HD2 LYS 134 HD2 LYS 134 -2.138 9.429 8.961 837 HD3 LYS 134 HD3 LYS 134 -3.041 9.314 7.448 838 HE2 LYS 134 HE2 LYS 134 -1.981 7.175 6.964 839 HE3 LYS 134 HE3 LYS 134 -1.036 7.293 8.448 840 HZ1 LYS 134 HZ1 LYS 134 -4.000 7.134 8.303 841 HZ2 LYS 134 HZ2 LYS 134 -3.082 7.217 9.722 842 HZ3 LYS 134 HZ3 LYS 134 -2.967 5.861 8.718 843 H GLU 135 HN GLU 135 3.030 8.109 7.401 844 HA GLU 135 HA GLU 135 4.632 9.090 9.623 845 HB2 GLU 135 HB2 GLU 135 4.405 6.432 8.228 846 HB3 GLU 135 HB3 GLU 135 5.722 6.763 9.345 847 HG2 GLU 135 HG2 GLU 135 4.003 5.609 10.524 848 HG3 GLU 135 HG3 GLU 135 4.043 7.276 11.094 849 H ASP 136 HN ASP 136 5.667 10.807 8.460 850 HA ASP 136 HA ASP 136 7.394 10.179 6.238 851 HB2 ASP 136 HB2 ASP 136 6.209 12.366 6.433 852 HB3 ASP 136 HB3 ASP 136 7.200 12.744 7.837 853 H VAL 137 HN VAL 137 8.765 8.614 7.171 854 HA VAL 137 HA VAL 137 10.493 9.413 9.373 855 HB VAL 137 HB VAL 137 10.511 6.834 7.793 856 HG11 VAL 137 HG11 VAL 137 12.623 7.256 8.911 857 HG12 VAL 137 HG12 VAL 137 11.759 5.950 9.722 858 HG13 VAL 137 HG13 VAL 137 11.782 7.565 10.431 859 HG21 VAL 137 HG21 VAL 137 9.196 7.473 10.434 860 HG22 VAL 137 HG22 VAL 137 9.310 5.869 9.707 861 HG23 VAL 137 HG23 VAL 137 8.372 7.133 8.912 862 H LYS 138 HN LYS 138 12.480 10.216 9.147 863 HA LYS 138 HA LYS 138 13.654 10.282 6.455 864 HB2 LYS 138 HB2 LYS 138 14.072 12.039 8.874 865 HB3 LYS 138 HB3 LYS 138 15.093 12.122 7.446 866 HG2 LYS 138 HG2 LYS 138 12.112 12.540 7.422 867 HG3 LYS 138 HG3 LYS 138 13.306 13.836 7.515 868 HD2 LYS 138 HD2 LYS 138 14.241 13.133 5.368 869 HD3 LYS 138 HD3 LYS 138 13.065 11.822 5.279 870 HE2 LYS 138 HE2 LYS 138 12.338 13.678 3.907 871 HE3 LYS 138 HE3 LYS 138 11.247 13.479 5.276 872 HZ1 LYS 138 HZ1 LYS 138 12.290 15.319 6.382 873 HZ2 LYS 138 HZ2 LYS 138 11.836 15.812 4.829 874 HZ3 LYS 138 HZ3 LYS 138 13.457 15.461 5.164
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