NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
591527 | 2n3s | 25656 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 1.808 0.000 0.855 2 HA MET 1 HA MET 1 1.581 -0.641 -1.945 3 HB2 MET 1 HB2 MET 1 2.160 2.123 -1.007 4 HB3 MET 1 HB3 MET 1 3.092 1.517 -2.370 5 HG2 MET 1 HG2 MET 1 1.285 2.621 -3.336 6 HG3 MET 1 HG3 MET 1 0.859 0.913 -3.422 7 HE1 MET 1 HE1 MET 1 -0.076 4.273 -2.714 8 HE2 MET 1 HE2 MET 1 -1.448 3.524 -3.531 9 HE3 MET 1 HE3 MET 1 -1.643 4.186 -1.907 10 H ALA 2 H ALA 2 3.369 -1.659 -2.670 11 HA ALA 2 HA ALA 2 5.520 -2.097 -0.767 12 HB1 ALA 2 HB1 ALA 2 5.279 -4.136 -1.637 13 HB2 ALA 2 HB2 ALA 2 4.400 -3.525 -3.040 14 HB3 ALA 2 HB3 ALA 2 6.164 -3.521 -3.034 15 H LYS 3 H LYS 3 7.758 -1.890 -1.331 16 HA LYS 3 HA LYS 3 8.706 -0.674 -3.673 17 HB2 LYS 3 HB2 LYS 3 9.266 1.577 -2.756 18 HB3 LYS 3 HB3 LYS 3 7.543 1.315 -2.986 19 HG2 LYS 3 HG2 LYS 3 7.546 0.640 -0.495 20 HG3 LYS 3 HG3 LYS 3 9.104 1.469 -0.442 21 HD2 LYS 3 HD2 LYS 3 7.474 3.071 0.183 22 HD3 LYS 3 HD3 LYS 3 7.941 3.460 -1.475 23 HE2 LYS 3 HE2 LYS 3 5.924 2.818 -2.338 24 HE3 LYS 3 HE3 LYS 3 5.636 1.629 -1.069 25 HZ1 LYS 3 HZ1 LYS 3 4.493 4.090 -1.235 26 HZ2 LYS 3 HZ2 LYS 3 5.704 4.316 -0.076 27 HZ3 LYS 3 HZ3 LYS 3 4.535 3.113 0.147 28 H ASP 4 H ASP 4 10.939 0.565 -3.014 29 HA ASP 4 HA ASP 4 12.628 -1.457 -2.055 30 HB2 ASP 4 HB2 ASP 4 13.195 1.511 -2.230 31 HB3 ASP 4 HB3 ASP 4 14.400 0.231 -2.115 32 H ASP 5 H ASP 5 14.398 -0.463 -0.293 33 HA ASP 5 HA ASP 5 12.829 -0.388 2.173 34 HB2 ASP 5 HB2 ASP 5 14.672 -2.082 1.826 35 HB3 ASP 5 HB3 ASP 5 15.816 -0.744 1.899 36 H VAL 6 H VAL 6 13.252 1.953 0.379 37 HA VAL 6 HA VAL 6 14.942 3.714 1.965 38 HB VAL 6 HB VAL 6 14.374 5.430 0.274 39 HG11 VAL 6 HG11 VAL 6 15.164 3.114 -1.382 40 HG12 VAL 6 HG12 VAL 6 15.950 4.679 -1.167 41 HG13 VAL 6 HG13 VAL 6 16.136 3.422 0.057 42 HG21 VAL 6 HG21 VAL 6 12.553 5.218 -0.978 43 HG22 VAL 6 HG22 VAL 6 13.263 3.807 -1.762 44 HG23 VAL 6 HG23 VAL 6 12.267 3.606 -0.321 45 H ILE 7 H ILE 7 14.229 5.155 3.415 46 HA ILE 7 HA ILE 7 11.368 5.805 3.487 47 HB ILE 7 HB ILE 7 11.360 5.609 5.949 48 HG12 ILE 7 HG12 ILE 7 13.456 3.856 6.479 49 HG13 ILE 7 HG13 ILE 7 14.190 5.106 5.481 50 HG21 ILE 7 HG21 ILE 7 10.665 3.760 4.338 51 HG22 ILE 7 HG22 ILE 7 12.186 2.977 4.765 52 HG23 ILE 7 HG23 ILE 7 10.978 3.294 6.010 53 HD11 ILE 7 HD11 ILE 7 14.490 6.058 7.506 54 HD12 ILE 7 HD12 ILE 7 12.868 6.668 7.177 55 HD13 ILE 7 HD13 ILE 7 13.086 5.260 8.215 56 H GLN 8 H GLN 8 11.012 7.918 3.679 57 HA GLN 8 HA GLN 8 13.250 9.701 4.111 58 HB2 GLN 8 HB2 GLN 8 11.666 11.482 3.531 59 HB3 GLN 8 HB3 GLN 8 11.653 10.196 2.332 60 HG2 GLN 8 HG2 GLN 8 9.632 9.270 3.482 61 HG3 GLN 8 HG3 GLN 8 9.606 10.734 4.464 62 HE21 GLN 8 HE21 GLN 8 7.845 9.517 2.287 63 HE22 GLN 8 HE22 GLN 8 7.549 10.840 1.217 64 H MET 9 H MET 9 13.799 10.503 6.019 65 HA MET 9 HA MET 9 11.789 10.510 8.170 66 HB2 MET 9 HB2 MET 9 14.706 9.953 8.112 67 HB3 MET 9 HB3 MET 9 14.083 10.789 9.529 68 HG2 MET 9 HG2 MET 9 12.745 8.305 8.563 69 HG3 MET 9 HG3 MET 9 14.233 8.199 9.499 70 HE1 MET 9 HE1 MET 9 12.823 6.680 11.125 71 HE2 MET 9 HE2 MET 9 11.476 7.247 12.112 72 HE3 MET 9 HE3 MET 9 11.250 6.977 10.384 73 H GLN 10 H GLN 10 11.759 12.291 9.639 74 HA GLN 10 HA GLN 10 12.657 14.792 8.385 75 HB2 GLN 10 HB2 GLN 10 10.558 14.455 10.530 76 HB3 GLN 10 HB3 GLN 10 10.898 15.906 9.596 77 HG2 GLN 10 HG2 GLN 10 9.993 13.358 8.301 78 HG3 GLN 10 HG3 GLN 10 8.857 14.541 8.946 79 HE21 GLN 10 HE21 GLN 10 10.933 13.712 6.372 80 HE22 GLN 10 HE22 GLN 10 10.656 15.107 5.391 81 H GLY 11 H GLY 11 14.523 15.497 9.195 82 HA2 GLY 11 HA2 GLY 11 14.813 15.548 12.128 83 HA3 GLY 11 HA3 GLY 11 16.126 14.953 11.123 84 H GLU 12 H GLU 12 16.909 16.878 12.664 85 HA GLU 12 HA GLU 12 16.877 19.300 10.986 86 HB2 GLU 12 HB2 GLU 12 15.678 19.686 13.084 87 HB3 GLU 12 HB3 GLU 12 17.076 19.136 13.998 88 HG2 GLU 12 HG2 GLU 12 18.352 21.021 13.361 89 HG3 GLU 12 HG3 GLU 12 17.170 21.495 12.142 90 H VAL 13 H VAL 13 18.806 20.249 10.517 91 HA VAL 13 HA VAL 13 21.142 18.727 10.553 92 HB VAL 13 HB VAL 13 20.863 21.723 10.275 93 HG11 VAL 13 HG11 VAL 13 23.055 21.536 9.083 94 HG12 VAL 13 HG12 VAL 13 23.137 21.233 10.819 95 HG13 VAL 13 HG13 VAL 13 23.174 19.883 9.684 96 HG21 VAL 13 HG21 VAL 13 20.947 21.299 7.879 97 HG22 VAL 13 HG22 VAL 13 21.058 19.564 8.176 98 HG23 VAL 13 HG23 VAL 13 19.592 20.441 8.614 99 H ILE 14 H ILE 14 22.897 18.620 11.872 100 HA ILE 14 HA ILE 14 22.755 20.143 14.392 101 HB ILE 14 HB ILE 14 22.344 17.700 14.661 102 HG12 ILE 14 HG12 ILE 14 24.950 18.575 15.917 103 HG13 ILE 14 HG13 ILE 14 23.376 19.170 16.433 104 HG21 ILE 14 HG21 ILE 14 24.252 16.162 14.416 105 HG22 ILE 14 HG22 ILE 14 23.753 16.865 12.879 106 HG23 ILE 14 HG23 ILE 14 25.192 17.470 13.699 107 HD11 ILE 14 HD11 ILE 14 24.315 16.313 16.512 108 HD12 ILE 14 HD12 ILE 14 24.130 17.401 17.888 109 HD13 ILE 14 HD13 ILE 14 22.711 16.875 16.983 110 H GLU 15 H GLU 15 24.756 18.998 11.775 111 HA GLU 15 HA GLU 15 26.812 20.913 12.534 112 HB2 GLU 15 HB2 GLU 15 27.265 18.490 13.447 113 HB3 GLU 15 HB3 GLU 15 27.738 18.168 11.785 114 HG2 GLU 15 HG2 GLU 15 29.485 19.751 11.871 115 HG3 GLU 15 HG3 GLU 15 28.892 20.429 13.387 116 H ASN 16 H ASN 16 28.329 21.359 10.800 117 HA ASN 16 HA ASN 16 27.334 20.557 8.148 118 HB2 ASN 16 HB2 ASN 16 28.488 23.287 8.626 119 HB3 ASN 16 HB3 ASN 16 27.428 22.743 7.329 120 HD21 ASN 16 HD21 ASN 16 25.221 22.569 7.704 121 HD22 ASN 16 HD22 ASN 16 24.459 23.320 9.061 122 H LEU 17 H LEU 17 28.836 19.705 6.868 123 HA LEU 17 HA LEU 17 31.659 20.371 7.360 124 HB2 LEU 17 HB2 LEU 17 30.335 17.723 7.251 125 HB3 LEU 17 HB3 LEU 17 31.913 17.865 6.479 126 HG LEU 17 HG LEU 17 32.874 18.611 8.616 127 HD11 LEU 17 HD11 LEU 17 30.039 18.623 9.388 128 HD12 LEU 17 HD12 LEU 17 31.392 19.571 10.004 129 HD13 LEU 17 HD13 LEU 17 31.141 17.922 10.574 130 HD21 LEU 17 HD21 LEU 17 31.958 16.023 7.938 131 HD22 LEU 17 HD22 LEU 17 31.735 16.224 9.677 132 HD23 LEU 17 HD23 LEU 17 33.328 16.468 8.957 133 HA PRO 18 HA PRO 18 32.089 21.023 3.043 134 HB2 PRO 18 HB2 PRO 18 34.557 20.012 2.538 135 HB3 PRO 18 HB3 PRO 18 34.299 21.516 3.431 136 HG2 PRO 18 HG2 PRO 18 34.865 18.767 4.473 137 HG3 PRO 18 HG3 PRO 18 35.537 20.322 4.996 138 HD2 PRO 18 HD2 PRO 18 33.546 19.071 6.339 139 HD3 PRO 18 HD3 PRO 18 33.684 20.839 6.267 140 H ASN 19 H ASN 19 33.176 19.716 1.024 141 HA ASN 19 HA ASN 19 32.902 18.024 -0.471 142 HB2 ASN 19 HB2 ASN 19 33.996 16.785 1.552 143 HB3 ASN 19 HB3 ASN 19 32.392 16.092 1.768 144 HD21 ASN 19 HD21 ASN 19 33.552 14.081 1.359 145 HD22 ASN 19 HD22 ASN 19 33.792 13.577 -0.276 146 H ALA 20 H ALA 20 30.629 19.569 0.399 147 HA ALA 20 HA ALA 20 28.354 19.625 0.260 148 HB1 ALA 20 HB1 ALA 20 28.337 17.174 -1.422 149 HB2 ALA 20 HB2 ALA 20 27.498 18.710 -1.649 150 HB3 ALA 20 HB3 ALA 20 29.220 18.585 -2.007 151 H THR 21 H THR 21 29.538 18.024 2.409 152 HA THR 21 HA THR 21 27.483 15.955 2.781 153 HB THR 21 HB THR 21 29.872 16.303 4.572 154 HG1 THR 21 HG1 THR 21 30.979 14.855 3.182 155 HG21 THR 21 HG21 THR 21 28.063 14.790 5.278 156 HG22 THR 21 HG22 THR 21 29.558 13.915 4.948 157 HG23 THR 21 HG23 THR 21 28.243 13.887 3.774 158 H PHE 22 H PHE 22 26.356 15.809 4.777 159 HA PHE 22 HA PHE 22 26.556 17.976 6.680 160 HB2 PHE 22 HB2 PHE 22 24.191 17.671 4.840 161 HB3 PHE 22 HB3 PHE 22 24.039 18.441 6.416 162 HD1 PHE 22 HD2 PHE 22 25.245 20.540 6.887 163 HD2 PHE 22 HD1 PHE 22 25.218 18.780 3.011 164 HE1 PHE 22 HE2 PHE 22 26.001 22.671 5.918 165 HE2 PHE 22 HE1 PHE 22 25.975 20.909 2.036 166 HZ PHE 22 HZ PHE 22 26.366 22.858 3.489 167 H ARG 23 H ARG 23 25.361 17.597 8.613 168 HA ARG 23 HA ARG 23 24.459 14.806 8.901 169 HB2 ARG 23 HB2 ARG 23 26.598 15.927 10.158 170 HB3 ARG 23 HB3 ARG 23 25.324 16.229 11.332 171 HG2 ARG 23 HG2 ARG 23 24.775 13.814 11.287 172 HG3 ARG 23 HG3 ARG 23 26.157 13.560 10.220 173 HD2 ARG 23 HD2 ARG 23 27.463 14.814 12.107 174 HD3 ARG 23 HD3 ARG 23 26.096 14.323 13.106 175 HE ARG 23 HE ARG 23 26.882 12.175 13.059 176 HH11 ARG 23 HH11 ARG 23 28.434 14.010 10.540 177 HH12 ARG 23 HH12 ARG 23 29.552 12.751 10.133 178 HH21 ARG 23 HH21 ARG 23 28.349 10.510 12.533 179 HH22 ARG 23 HH22 ARG 23 29.502 10.760 11.266 180 H VAL 24 H VAL 24 22.497 14.438 9.769 181 HA VAL 24 HA VAL 24 21.080 16.674 11.043 182 HB VAL 24 HB VAL 24 20.231 16.678 8.806 183 HG11 VAL 24 HG11 VAL 24 20.228 14.862 7.532 184 HG12 VAL 24 HG12 VAL 24 20.734 13.897 8.920 185 HG13 VAL 24 HG13 VAL 24 19.018 14.112 8.572 186 HG21 VAL 24 HG21 VAL 24 18.057 16.792 9.381 187 HG22 VAL 24 HG22 VAL 24 18.025 15.139 9.995 188 HG23 VAL 24 HG23 VAL 24 18.660 16.441 11.001 189 H LYS 25 H LYS 25 19.782 16.130 12.733 190 HA LYS 25 HA LYS 25 19.907 13.340 13.612 191 HB2 LYS 25 HB2 LYS 25 19.343 14.176 15.819 192 HB3 LYS 25 HB3 LYS 25 20.694 15.093 15.166 193 HG2 LYS 25 HG2 LYS 25 18.741 16.692 14.367 194 HG3 LYS 25 HG3 LYS 25 17.915 15.948 15.737 195 HD2 LYS 25 HD2 LYS 25 20.692 16.959 16.117 196 HD3 LYS 25 HD3 LYS 25 19.369 18.125 16.038 197 HE2 LYS 25 HE2 LYS 25 19.228 15.734 17.841 198 HE3 LYS 25 HE3 LYS 25 20.067 17.202 18.341 199 HZ1 LYS 25 HZ1 LYS 25 17.742 18.188 17.459 200 HZ2 LYS 25 HZ2 LYS 25 18.047 17.788 19.074 201 HZ3 LYS 25 HZ3 LYS 25 17.231 16.696 18.071 202 H LEU 26 H LEU 26 18.166 12.059 13.693 203 HA LEU 26 HA LEU 26 15.691 12.971 12.570 204 HB2 LEU 26 HB2 LEU 26 16.065 10.337 13.944 205 HB3 LEU 26 HB3 LEU 26 15.011 10.739 12.590 206 HG LEU 26 HG LEU 26 17.566 11.192 11.610 207 HD11 LEU 26 HD11 LEU 26 17.858 8.453 12.555 208 HD12 LEU 26 HD12 LEU 26 17.952 9.649 13.848 209 HD13 LEU 26 HD13 LEU 26 19.043 9.757 12.466 210 HD21 LEU 26 HD21 LEU 26 16.912 9.728 10.013 211 HD22 LEU 26 HD22 LEU 26 15.349 9.924 10.807 212 HD23 LEU 26 HD23 LEU 26 16.360 8.527 11.180 213 H GLU 27 H GLU 27 14.074 11.149 14.270 214 HA GLU 27 HA GLU 27 13.429 13.101 16.325 215 HB2 GLU 27 HB2 GLU 27 12.033 10.796 15.062 216 HB3 GLU 27 HB3 GLU 27 11.561 11.234 16.698 217 HG2 GLU 27 HG2 GLU 27 11.441 13.648 15.647 218 HG3 GLU 27 HG3 GLU 27 11.224 12.731 14.158 219 H ASN 28 H ASN 28 14.917 9.996 16.024 220 HA ASN 28 HA ASN 28 14.613 9.256 18.785 221 HB2 ASN 28 HB2 ASN 28 16.583 8.118 16.797 222 HB3 ASN 28 HB3 ASN 28 15.961 7.348 18.253 223 HD21 ASN 28 HD21 ASN 28 13.382 7.487 18.204 224 HD22 ASN 28 HD22 ASN 28 12.698 6.819 16.765 225 H GLY 29 H GLY 29 16.694 11.306 17.038 226 HA2 GLY 29 HA2 GLY 29 18.115 12.819 18.265 227 HA3 GLY 29 HA3 GLY 29 18.438 11.521 19.404 228 H HIS 30 H HIS 30 18.665 9.716 16.915 229 HA HIS 30 HA HIS 30 21.494 9.801 16.748 230 HB2 HIS 30 HB2 HIS 30 19.648 8.366 14.839 231 HB3 HIS 30 HB3 HIS 30 21.310 7.951 15.246 232 HD1 HIS 30 HD1 HIS 30 18.351 6.420 15.684 233 HD2 HIS 30 HD2 HIS 30 21.092 7.811 18.479 234 HE1 HIS 30 HE1 HIS 30 17.899 5.106 17.780 235 H VAL 31 H VAL 31 22.844 10.630 15.233 236 HA VAL 31 HA VAL 31 21.638 12.427 13.254 237 HB VAL 31 HB VAL 31 23.961 13.370 13.069 238 HG11 VAL 31 HG11 VAL 31 23.836 14.250 15.573 239 HG12 VAL 31 HG12 VAL 31 22.675 14.750 14.342 240 HG13 VAL 31 HG13 VAL 31 22.252 13.480 15.491 241 HG21 VAL 31 HG21 VAL 31 24.468 11.657 15.499 242 HG22 VAL 31 HG22 VAL 31 25.158 11.388 13.898 243 HG23 VAL 31 HG23 VAL 31 25.575 12.842 14.806 244 H VAL 32 H VAL 32 21.828 12.095 11.122 245 HA VAL 32 HA VAL 32 23.465 9.811 10.239 246 HB VAL 32 HB VAL 32 21.975 9.592 8.335 247 HG11 VAL 32 HG11 VAL 32 21.349 8.361 10.298 248 HG12 VAL 32 HG12 VAL 32 20.534 9.771 10.977 249 HG13 VAL 32 HG13 VAL 32 19.886 8.985 9.537 250 HG21 VAL 32 HG21 VAL 32 21.437 11.973 8.061 251 HG22 VAL 32 HG22 VAL 32 19.987 10.968 8.081 252 HG23 VAL 32 HG23 VAL 32 20.432 11.903 9.509 253 H LEU 33 H LEU 33 24.884 10.032 8.562 254 HA LEU 33 HA LEU 33 25.405 12.785 7.680 255 HB2 LEU 33 HB2 LEU 33 27.639 11.803 6.989 256 HB3 LEU 33 HB3 LEU 33 27.319 11.932 8.718 257 HG LEU 33 HG LEU 33 26.694 9.342 7.413 258 HD11 LEU 33 HD11 LEU 33 28.884 10.051 6.449 259 HD12 LEU 33 HD12 LEU 33 28.957 8.586 7.427 260 HD13 LEU 33 HD13 LEU 33 29.524 10.118 8.091 261 HD21 LEU 33 HD21 LEU 33 26.537 8.763 9.547 262 HD22 LEU 33 HD22 LEU 33 27.004 10.392 10.034 263 HD23 LEU 33 HD23 LEU 33 28.240 9.158 9.783 264 H GLY 34 H GLY 34 25.276 13.353 5.584 265 HA2 GLY 34 HA2 GLY 34 25.355 11.358 3.484 266 HA3 GLY 34 HA3 GLY 34 23.786 12.116 3.713 267 H HIS 35 H HIS 35 24.443 12.606 1.355 268 HA HIS 35 HA HIS 35 25.841 15.201 1.319 269 HB2 HIS 35 HB2 HIS 35 26.585 14.724 -0.941 270 HB3 HIS 35 HB3 HIS 35 27.090 13.419 0.129 271 HD1 HIS 35 HD1 HIS 35 25.828 11.133 -0.125 272 HD2 HIS 35 HD2 HIS 35 24.870 13.991 -2.984 273 HE1 HIS 35 HE1 HIS 35 24.637 9.882 -1.953 274 H ILE 36 H ILE 36 24.963 16.852 0.069 275 HA ILE 36 HA ILE 36 22.158 16.426 -0.711 276 HB ILE 36 HB ILE 36 22.465 18.091 1.056 277 HG12 ILE 36 HG12 ILE 36 21.202 19.903 0.032 278 HG13 ILE 36 HG13 ILE 36 21.722 19.395 -1.572 279 HG21 ILE 36 HG21 ILE 36 24.742 18.795 -0.381 280 HG22 ILE 36 HG22 ILE 36 23.662 20.179 -0.535 281 HG23 ILE 36 HG23 ILE 36 24.111 19.586 1.063 282 HD11 ILE 36 HD11 ILE 36 20.432 17.246 -0.134 283 HD12 ILE 36 HD12 ILE 36 19.396 18.667 -0.278 284 HD13 ILE 36 HD13 ILE 36 20.076 17.921 -1.724 285 H SER 37 H SER 37 21.564 16.664 -2.771 286 HA SER 37 HA SER 37 23.101 18.314 -4.593 287 HB2 SER 37 HB2 SER 37 24.030 15.854 -4.493 288 HB3 SER 37 HB3 SER 37 22.624 15.498 -5.497 289 HG SER 37 HG SER 37 24.944 16.822 -6.124 290 H GLY 38 H GLY 38 22.045 18.494 -6.733 291 HA2 GLY 38 HA2 GLY 38 19.848 17.648 -7.831 292 HA3 GLY 38 HA3 GLY 38 19.130 18.356 -6.392 293 H LYS 39 H LYS 39 17.942 19.657 -7.978 294 HA LYS 39 HA LYS 39 19.391 21.625 -9.500 295 HB2 LYS 39 HB2 LYS 39 16.524 20.926 -9.075 296 HB3 LYS 39 HB3 LYS 39 16.901 22.546 -9.649 297 HG2 LYS 39 HG2 LYS 39 18.373 21.213 -11.384 298 HG3 LYS 39 HG3 LYS 39 17.228 19.925 -11.004 299 HD2 LYS 39 HD2 LYS 39 15.369 21.357 -11.615 300 HD3 LYS 39 HD3 LYS 39 16.472 22.704 -11.905 301 HE2 LYS 39 HE2 LYS 39 17.603 21.143 -13.603 302 HE3 LYS 39 HE3 LYS 39 16.138 20.171 -13.478 303 HZ1 LYS 39 HZ1 LYS 39 16.231 23.037 -14.250 304 HZ2 LYS 39 HZ2 LYS 39 14.842 22.076 -14.169 305 HZ3 LYS 39 HZ3 LYS 39 16.036 21.743 -15.321 306 H MET 40 H MET 40 16.887 21.994 -6.982 307 HA MET 40 HA MET 40 17.399 24.670 -6.423 308 HB2 MET 40 HB2 MET 40 16.398 22.598 -4.464 309 HB3 MET 40 HB3 MET 40 16.152 24.337 -4.370 310 HG2 MET 40 HG2 MET 40 15.060 22.518 -6.504 311 HG3 MET 40 HG3 MET 40 14.156 23.182 -5.145 312 HE1 MET 40 HE1 MET 40 12.490 24.291 -5.822 313 HE2 MET 40 HE2 MET 40 12.474 25.893 -6.560 314 HE3 MET 40 HE3 MET 40 12.367 24.453 -7.574 315 H ARG 41 H ARG 41 19.190 21.870 -5.584 316 HA ARG 41 HA ARG 41 20.522 23.005 -3.304 317 HB2 ARG 41 HB2 ARG 41 21.485 20.658 -4.929 318 HB3 ARG 41 HB3 ARG 41 21.789 21.003 -3.232 319 HG2 ARG 41 HG2 ARG 41 19.111 20.280 -4.403 320 HG3 ARG 41 HG3 ARG 41 20.189 19.174 -3.549 321 HD2 ARG 41 HD2 ARG 41 18.706 19.822 -1.890 322 HD3 ARG 41 HD3 ARG 41 20.070 20.911 -1.638 323 HE ARG 41 HE ARG 41 18.146 22.065 -3.379 324 HH11 ARG 41 HH11 ARG 41 18.776 21.355 -0.029 325 HH12 ARG 41 HH12 ARG 41 17.792 22.651 0.566 326 HH21 ARG 41 HH21 ARG 41 16.848 23.774 -2.608 327 HH22 ARG 41 HH22 ARG 41 16.695 24.026 -0.902 328 H MET 42 H MET 42 20.980 23.001 -6.732 329 HA MET 42 HA MET 42 23.746 23.874 -6.545 330 HB2 MET 42 HB2 MET 42 21.910 23.069 -8.745 331 HB3 MET 42 HB3 MET 42 23.232 24.157 -9.145 332 HG2 MET 42 HG2 MET 42 23.789 21.666 -7.606 333 HG3 MET 42 HG3 MET 42 23.534 21.583 -9.348 334 HE1 MET 42 HE1 MET 42 25.377 24.156 -10.693 335 HE2 MET 42 HE2 MET 42 26.458 22.798 -11.004 336 HE3 MET 42 HE3 MET 42 24.711 22.557 -11.024 337 H HIS 43 H HIS 43 21.061 25.384 -5.821 338 HA HIS 43 HA HIS 43 21.550 27.833 -7.346 339 HB2 HIS 43 HB2 HIS 43 19.210 26.796 -6.921 340 HB3 HIS 43 HB3 HIS 43 19.367 27.488 -5.309 341 HD1 HIS 43 HD1 HIS 43 18.590 29.829 -5.070 342 HD2 HIS 43 HD2 HIS 43 19.459 28.875 -9.019 343 HE1 HIS 43 HE1 HIS 43 17.912 31.844 -6.413 344 H TYR 44 H TYR 44 23.330 26.795 -5.196 345 HA TYR 44 HA TYR 44 24.488 27.535 -3.379 346 HB2 TYR 44 HB2 TYR 44 23.597 30.283 -4.259 347 HB3 TYR 44 HB3 TYR 44 25.056 29.863 -3.369 348 HD1 TYR 44 HD2 TYR 44 26.863 28.559 -4.544 349 HD2 TYR 44 HD1 TYR 44 23.557 30.253 -6.621 350 HE1 TYR 44 HE2 TYR 44 28.103 28.372 -6.660 351 HE2 TYR 44 HE1 TYR 44 24.788 30.069 -8.742 352 HH TYR 44 HH TYR 44 26.625 28.774 -9.698 353 H ILE 45 H ILE 45 22.266 26.552 -2.452 354 HA ILE 45 HA ILE 45 20.551 28.361 -1.087 355 HB ILE 45 HB ILE 45 19.822 26.337 0.194 356 HG12 ILE 45 HG12 ILE 45 21.461 24.663 -1.662 357 HG13 ILE 45 HG13 ILE 45 22.225 25.305 -0.212 358 HG21 ILE 45 HG21 ILE 45 19.815 26.522 -2.775 359 HG22 ILE 45 HG22 ILE 45 19.134 25.085 -2.015 360 HG23 ILE 45 HG23 ILE 45 18.483 26.678 -1.630 361 HD11 ILE 45 HD11 ILE 45 20.785 22.968 -0.412 362 HD12 ILE 45 HD12 ILE 45 21.237 23.796 1.078 363 HD13 ILE 45 HD13 ILE 45 19.658 24.089 0.351 364 H ARG 46 H ARG 46 20.313 28.487 1.268 365 HA ARG 46 HA ARG 46 22.943 28.667 2.551 366 HB2 ARG 46 HB2 ARG 46 20.312 30.036 3.017 367 HB3 ARG 46 HB3 ARG 46 21.538 30.006 4.277 368 HG2 ARG 46 HG2 ARG 46 23.073 31.215 2.937 369 HG3 ARG 46 HG3 ARG 46 22.068 31.021 1.499 370 HD2 ARG 46 HD2 ARG 46 21.886 33.275 2.458 371 HD3 ARG 46 HD3 ARG 46 20.346 32.416 2.481 372 HE ARG 46 HE ARG 46 20.380 32.479 4.770 373 HH11 ARG 46 HH11 ARG 46 23.547 33.260 3.552 374 HH12 ARG 46 HH12 ARG 46 24.171 33.726 5.100 375 HH21 ARG 46 HH21 ARG 46 21.190 33.089 6.814 376 HH22 ARG 46 HH22 ARG 46 22.830 33.627 6.955 377 H ILE 47 H ILE 47 23.511 27.089 3.881 378 HA ILE 47 HA ILE 47 21.393 25.607 5.298 379 HB ILE 47 HB ILE 47 24.159 24.650 4.550 380 HG12 ILE 47 HG12 ILE 47 21.506 23.660 3.504 381 HG13 ILE 47 HG13 ILE 47 22.441 24.908 2.688 382 HG21 ILE 47 HG21 ILE 47 21.938 23.443 6.147 383 HG22 ILE 47 HG22 ILE 47 23.049 22.413 5.246 384 HG23 ILE 47 HG23 ILE 47 23.666 23.495 6.495 385 HD11 ILE 47 HD11 ILE 47 24.324 23.311 2.517 386 HD12 ILE 47 HD12 ILE 47 23.277 22.067 3.203 387 HD13 ILE 47 HD13 ILE 47 22.875 22.801 1.650 388 H LEU 48 H LEU 48 21.505 25.368 7.477 389 HA LEU 48 HA LEU 48 23.909 26.102 8.924 390 HB2 LEU 48 HB2 LEU 48 21.397 27.714 8.946 391 HB3 LEU 48 HB3 LEU 48 22.363 27.595 10.415 392 HG LEU 48 HG LEU 48 23.381 28.630 7.770 393 HD11 LEU 48 HD11 LEU 48 21.574 29.983 9.011 394 HD12 LEU 48 HD12 LEU 48 23.056 30.802 8.523 395 HD13 LEU 48 HD13 LEU 48 22.839 30.296 10.199 396 HD21 LEU 48 HD21 LEU 48 25.123 27.669 9.169 397 HD22 LEU 48 HD22 LEU 48 24.583 28.642 10.538 398 HD23 LEU 48 HD23 LEU 48 25.270 29.426 9.114 399 HA PRO 49 HA PRO 49 22.513 23.094 11.797 400 HB2 PRO 49 HB2 PRO 49 23.409 24.096 14.156 401 HB3 PRO 49 HB3 PRO 49 24.485 23.410 12.934 402 HG2 PRO 49 HG2 PRO 49 23.850 26.279 13.503 403 HG3 PRO 49 HG3 PRO 49 25.418 25.528 13.152 404 HD2 PRO 49 HD2 PRO 49 23.999 26.879 11.283 405 HD3 PRO 49 HD3 PRO 49 25.035 25.495 10.879 406 H GLY 50 H GLY 50 20.419 22.819 12.256 407 HA2 GLY 50 HA2 GLY 50 18.778 23.162 14.072 408 HA3 GLY 50 HA3 GLY 50 19.082 24.884 13.895 409 H ASP 51 H ASP 51 19.080 23.324 10.914 410 HA ASP 51 HA ASP 51 16.415 24.393 10.339 411 HB2 ASP 51 HB2 ASP 51 18.262 25.149 8.904 412 HB3 ASP 51 HB3 ASP 51 18.599 23.479 8.454 413 H LYS 52 H LYS 52 14.737 23.154 9.683 414 HA LYS 52 HA LYS 52 14.920 20.317 10.121 415 HB2 LYS 52 HB2 LYS 52 12.736 22.267 9.571 416 HB3 LYS 52 HB3 LYS 52 12.434 20.574 9.201 417 HG2 LYS 52 HG2 LYS 52 11.683 20.620 11.339 418 HG3 LYS 52 HG3 LYS 52 13.381 20.247 11.649 419 HD2 LYS 52 HD2 LYS 52 13.026 21.980 13.124 420 HD3 LYS 52 HD3 LYS 52 13.634 22.851 11.714 421 HE2 LYS 52 HE2 LYS 52 11.691 23.980 12.629 422 HE3 LYS 52 HE3 LYS 52 11.324 23.329 11.032 423 HZ1 LYS 52 HZ1 LYS 52 10.699 21.410 12.998 424 HZ2 LYS 52 HZ2 LYS 52 9.666 22.169 11.895 425 HZ3 LYS 52 HZ3 LYS 52 9.955 22.875 13.405 426 H VAL 53 H VAL 53 15.440 18.856 8.643 427 HA VAL 53 HA VAL 53 14.704 19.317 5.844 428 HB VAL 53 HB VAL 53 16.867 18.621 5.020 429 HG11 VAL 53 HG11 VAL 53 17.819 20.660 5.201 430 HG12 VAL 53 HG12 VAL 53 16.316 21.055 6.039 431 HG13 VAL 53 HG13 VAL 53 17.763 20.649 6.963 432 HG21 VAL 53 HG21 VAL 53 17.397 18.106 7.904 433 HG22 VAL 53 HG22 VAL 53 17.813 17.138 6.490 434 HG23 VAL 53 HG23 VAL 53 18.742 18.589 6.870 435 H THR 54 H THR 54 14.774 17.352 4.534 436 HA THR 54 HA THR 54 14.064 15.010 6.149 437 HB THR 54 HB THR 54 13.584 15.427 3.194 438 HG1 THR 54 HG1 THR 54 11.861 16.534 3.730 439 HG21 THR 54 HG21 THR 54 13.528 13.096 3.845 440 HG22 THR 54 HG22 THR 54 11.884 13.654 3.537 441 HG23 THR 54 HG23 THR 54 12.456 13.466 5.194 442 H VAL 55 H VAL 55 14.971 12.990 5.800 443 HA VAL 55 HA VAL 55 17.197 12.801 3.903 444 HB VAL 55 HB VAL 55 18.456 11.518 5.757 445 HG11 VAL 55 HG11 VAL 55 18.407 14.399 6.436 446 HG12 VAL 55 HG12 VAL 55 19.769 13.346 6.044 447 HG13 VAL 55 HG13 VAL 55 18.741 13.976 4.756 448 HG21 VAL 55 HG21 VAL 55 16.664 13.236 7.471 449 HG22 VAL 55 HG22 VAL 55 16.571 11.479 7.344 450 HG23 VAL 55 HG23 VAL 55 18.007 12.239 8.029 451 H GLU 56 H GLU 56 17.372 10.857 2.927 452 HA GLU 56 HA GLU 56 15.432 8.803 3.713 453 HB2 GLU 56 HB2 GLU 56 16.114 9.893 1.229 454 HB3 GLU 56 HB3 GLU 56 16.820 8.283 1.225 455 HG2 GLU 56 HG2 GLU 56 14.830 7.270 1.096 456 HG3 GLU 56 HG3 GLU 56 14.070 8.395 2.220 457 H LEU 57 H LEU 57 16.182 7.199 4.918 458 HA LEU 57 HA LEU 57 18.985 6.624 5.119 459 HB2 LEU 57 HB2 LEU 57 17.331 6.470 6.998 460 HB3 LEU 57 HB3 LEU 57 16.682 5.027 6.222 461 HG LEU 57 HG LEU 57 19.243 4.283 6.413 462 HD11 LEU 57 HD11 LEU 57 19.033 6.622 8.085 463 HD12 LEU 57 HD12 LEU 57 20.452 5.666 7.659 464 HD13 LEU 57 HD13 LEU 57 19.454 5.196 9.035 465 HD21 LEU 57 HD21 LEU 57 17.080 3.258 7.331 466 HD22 LEU 57 HD22 LEU 57 17.475 4.099 8.831 467 HD23 LEU 57 HD23 LEU 57 18.586 2.896 8.175 468 H THR 58 H THR 58 20.104 4.870 4.365 469 HA THR 58 HA THR 58 18.758 3.309 2.274 470 HB THR 58 HB THR 58 21.394 2.706 1.969 471 HG1 THR 58 HG1 THR 58 22.241 5.053 2.087 472 HG21 THR 58 HG21 THR 58 21.182 3.775 -0.025 473 HG22 THR 58 HG22 THR 58 20.534 5.242 0.708 474 HG23 THR 58 HG23 THR 58 19.489 3.844 0.462 475 HA PRO 59 HA PRO 59 19.082 -0.493 4.443 476 HB2 PRO 59 HB2 PRO 59 19.719 -2.231 2.456 477 HB3 PRO 59 HB3 PRO 59 18.117 -1.501 2.617 478 HG2 PRO 59 HG2 PRO 59 20.384 -0.720 0.824 479 HG3 PRO 59 HG3 PRO 59 18.653 -0.832 0.455 480 HD2 PRO 59 HD2 PRO 59 19.884 1.525 0.967 481 HD3 PRO 59 HD3 PRO 59 18.190 1.218 1.402 482 H TYR 60 H TYR 60 21.810 0.719 2.711 483 HA TYR 60 HA TYR 60 23.730 -1.232 3.200 484 HB2 TYR 60 HB2 TYR 60 23.772 1.154 1.958 485 HB3 TYR 60 HB3 TYR 60 24.591 1.597 3.452 486 HD1 TYR 60 HD2 TYR 60 26.672 0.335 4.113 487 HD2 TYR 60 HD1 TYR 60 24.891 -0.054 0.268 488 HE1 TYR 60 HE2 TYR 60 28.776 -0.592 3.238 489 HE2 TYR 60 HE1 TYR 60 26.990 -0.983 -0.617 490 HH TYR 60 HH TYR 60 29.247 -2.292 1.002 491 H ASP 61 H ASP 61 22.667 1.458 5.242 492 HA ASP 61 HA ASP 61 23.114 0.129 7.656 493 HB2 ASP 61 HB2 ASP 61 25.485 1.369 6.510 494 HB3 ASP 61 HB3 ASP 61 25.103 2.022 8.101 495 H LEU 62 H LEU 62 23.172 1.751 9.554 496 HA LEU 62 HA LEU 62 21.241 3.855 8.919 497 HB2 LEU 62 HB2 LEU 62 20.840 2.097 10.706 498 HB3 LEU 62 HB3 LEU 62 22.076 2.923 11.653 499 HG LEU 62 HG LEU 62 20.423 4.989 11.096 500 HD11 LEU 62 HD11 LEU 62 18.334 3.105 11.839 501 HD12 LEU 62 HD12 LEU 62 18.948 2.848 10.207 502 HD13 LEU 62 HD13 LEU 62 18.310 4.425 10.669 503 HD21 LEU 62 HD21 LEU 62 21.163 4.636 13.288 504 HD22 LEU 62 HD22 LEU 62 20.449 3.025 13.367 505 HD23 LEU 62 HD23 LEU 62 19.411 4.452 13.382 506 H SER 63 H SER 63 24.327 3.861 8.694 507 HA SER 63 HA SER 63 24.734 6.371 10.186 508 HB2 SER 63 HB2 SER 63 26.147 4.165 10.679 509 HB3 SER 63 HB3 SER 63 27.081 4.756 9.305 510 HG SER 63 HG SER 63 26.443 6.297 11.602 511 H ARG 64 H ARG 64 23.730 5.750 7.396 512 HA ARG 64 HA ARG 64 25.136 7.867 6.080 513 HB2 ARG 64 HB2 ARG 64 25.810 6.492 4.101 514 HB3 ARG 64 HB3 ARG 64 26.733 6.158 5.560 515 HG2 ARG 64 HG2 ARG 64 25.138 4.221 5.946 516 HG3 ARG 64 HG3 ARG 64 24.592 4.485 4.289 517 HD2 ARG 64 HD2 ARG 64 27.345 3.728 5.241 518 HD3 ARG 64 HD3 ARG 64 26.261 2.798 4.207 519 HE ARG 64 HE ARG 64 28.089 4.812 3.381 520 HH11 ARG 64 HH11 ARG 64 24.966 3.440 2.686 521 HH12 ARG 64 HH12 ARG 64 24.996 3.891 1.013 522 HH21 ARG 64 HH21 ARG 64 28.141 5.411 1.181 523 HH22 ARG 64 HH22 ARG 64 26.803 5.011 0.158 524 H ALA 65 H ALA 65 23.504 8.969 5.238 525 HA ALA 65 HA ALA 65 21.457 7.517 3.711 526 HB1 ALA 65 HB1 ALA 65 20.360 7.918 5.768 527 HB2 ALA 65 HB2 ALA 65 20.964 9.573 5.851 528 HB3 ALA 65 HB3 ALA 65 19.758 9.135 4.642 529 H ARG 66 H ARG 66 20.010 9.274 2.553 530 HA ARG 66 HA ARG 66 21.890 11.041 1.159 531 HB2 ARG 66 HB2 ARG 66 20.305 11.040 -0.677 532 HB3 ARG 66 HB3 ARG 66 20.656 9.384 -0.197 533 HG2 ARG 66 HG2 ARG 66 18.536 9.476 1.180 534 HG3 ARG 66 HG3 ARG 66 18.172 10.983 0.337 535 HD2 ARG 66 HD2 ARG 66 18.609 8.277 -0.921 536 HD3 ARG 66 HD3 ARG 66 17.070 9.121 -0.758 537 HE ARG 66 HE ARG 66 18.795 10.797 -2.154 538 HH11 ARG 66 HH11 ARG 66 17.260 7.700 -2.571 539 HH12 ARG 66 HH12 ARG 66 17.193 7.820 -4.298 540 HH21 ARG 66 HH21 ARG 66 18.712 10.967 -4.427 541 HH22 ARG 66 HH22 ARG 66 18.020 9.678 -5.353 542 H ILE 67 H ILE 67 21.702 13.199 1.220 543 HA ILE 67 HA ILE 67 19.861 14.393 3.059 544 HB ILE 67 HB ILE 67 21.730 15.762 1.122 545 HG12 ILE 67 HG12 ILE 67 22.875 14.180 2.670 546 HG13 ILE 67 HG13 ILE 67 23.330 15.860 2.935 547 HG21 ILE 67 HG21 ILE 67 20.678 17.600 1.816 548 HG22 ILE 67 HG22 ILE 67 19.813 16.721 3.075 549 HG23 ILE 67 HG23 ILE 67 21.440 17.326 3.382 550 HD11 ILE 67 HD11 ILE 67 22.614 14.122 4.881 551 HD12 ILE 67 HD12 ILE 67 22.501 15.878 5.011 552 HD13 ILE 67 HD13 ILE 67 21.081 14.933 4.564 553 H VAL 68 H VAL 68 17.876 15.082 2.642 554 HA VAL 68 HA VAL 68 17.118 15.577 -0.162 555 HB VAL 68 HB VAL 68 15.151 15.051 2.048 556 HG11 VAL 68 HG11 VAL 68 13.845 15.640 0.310 557 HG12 VAL 68 HG12 VAL 68 15.098 15.295 -0.884 558 HG13 VAL 68 HG13 VAL 68 14.131 13.981 -0.215 559 HG21 VAL 68 HG21 VAL 68 15.314 12.669 0.733 560 HG22 VAL 68 HG22 VAL 68 17.007 13.159 0.797 561 HG23 VAL 68 HG23 VAL 68 16.073 13.017 2.286 562 H PHE 69 H PHE 69 15.423 17.229 -0.491 563 HA PHE 69 HA PHE 69 16.161 19.725 0.386 564 HB2 PHE 69 HB2 PHE 69 13.335 18.954 -0.359 565 HB3 PHE 69 HB3 PHE 69 14.073 20.546 -0.499 566 HD1 PHE 69 HD1 PHE 69 16.655 19.933 -1.716 567 HD2 PHE 69 HD2 PHE 69 12.798 18.319 -2.515 568 HE1 PHE 69 HE1 PHE 69 17.355 19.406 -4.016 569 HE2 PHE 69 HE2 PHE 69 13.492 17.789 -4.815 570 HZ PHE 69 HZ PHE 69 15.773 18.332 -5.568 571 H ARG 70 H ARG 70 14.855 21.288 1.691 572 HA ARG 70 HA ARG 70 14.769 20.598 4.350 573 HB2 ARG 70 HB2 ARG 70 13.305 22.616 4.647 574 HB3 ARG 70 HB3 ARG 70 14.778 22.905 3.730 575 HG2 ARG 70 HG2 ARG 70 13.473 22.744 1.644 576 HG3 ARG 70 HG3 ARG 70 12.007 22.553 2.607 577 HD2 ARG 70 HD2 ARG 70 12.692 24.757 3.725 578 HD3 ARG 70 HD3 ARG 70 13.803 24.946 2.369 579 HE ARG 70 HE ARG 70 11.443 24.453 1.154 580 HH11 ARG 70 HH11 ARG 70 12.428 26.712 3.613 581 HH12 ARG 70 HH12 ARG 70 11.272 27.918 3.153 582 HH21 ARG 70 HH21 ARG 70 9.917 26.033 0.538 583 HH22 ARG 70 HH22 ARG 70 9.844 27.530 1.404 584 H ALA 71 H ALA 71 12.944 20.415 5.837 585 HA ALA 71 HA ALA 71 11.074 18.442 4.933 586 HB1 ALA 71 HB1 ALA 71 10.272 19.267 7.469 587 HB2 ALA 71 HB2 ALA 71 11.301 17.890 7.074 588 HB3 ALA 71 HB3 ALA 71 12.027 19.450 7.463 589 H LYS 72 H LYS 72 9.190 18.829 3.993 590 HA LYS 72 HA LYS 72 8.106 21.424 3.698 591 HB2 LYS 72 HB2 LYS 72 7.701 19.742 2.015 592 HB3 LYS 72 HB3 LYS 72 6.912 18.695 3.188 593 HG2 LYS 72 HG2 LYS 72 5.247 19.734 1.814 594 HG3 LYS 72 HG3 LYS 72 5.134 20.393 3.447 595 HD2 LYS 72 HD2 LYS 72 5.835 22.461 2.807 596 HD3 LYS 72 HD3 LYS 72 6.876 21.831 1.528 597 HE2 LYS 72 HE2 LYS 72 5.189 21.784 -0.008 598 HE3 LYS 72 HE3 LYS 72 3.942 21.508 1.207 599 HZ1 LYS 72 HZ1 LYS 72 3.570 23.670 0.500 600 HZ2 LYS 72 HZ2 LYS 72 5.216 24.051 0.421 601 HZ3 LYS 72 HZ3 LYS 72 4.456 23.892 1.924 Start of MODEL 2 1 H1 MET 1 H MET 1 10.818 -1.748 -13.556 2 HA MET 1 HA MET 1 10.677 -3.732 -12.137 3 HB2 MET 1 HB2 MET 1 13.207 -3.707 -13.793 4 HB3 MET 1 HB3 MET 1 12.393 -5.147 -13.197 5 HG2 MET 1 HG2 MET 1 10.398 -4.506 -14.518 6 HG3 MET 1 HG3 MET 1 11.322 -3.162 -15.186 7 HE1 MET 1 HE1 MET 1 10.638 -3.757 -17.253 8 HE2 MET 1 HE2 MET 1 12.139 -4.076 -18.123 9 HE3 MET 1 HE3 MET 1 10.852 -5.282 -18.114 10 H ALA 2 H ALA 2 11.826 -1.633 -10.506 11 HA ALA 2 HA ALA 2 13.791 -3.241 -9.011 12 HB1 ALA 2 HB1 ALA 2 13.796 -0.260 -9.446 13 HB2 ALA 2 HB2 ALA 2 14.818 -1.092 -8.273 14 HB3 ALA 2 HB3 ALA 2 15.000 -1.427 -9.995 15 H LYS 3 H LYS 3 14.012 -2.019 -6.703 16 HA LYS 3 HA LYS 3 11.337 -1.388 -5.694 17 HB2 LYS 3 HB2 LYS 3 13.133 -3.469 -4.434 18 HB3 LYS 3 HB3 LYS 3 11.563 -2.950 -3.834 19 HG2 LYS 3 HG2 LYS 3 11.929 -4.206 -6.538 20 HG3 LYS 3 HG3 LYS 3 11.627 -5.146 -5.075 21 HD2 LYS 3 HD2 LYS 3 9.560 -3.801 -4.718 22 HD3 LYS 3 HD3 LYS 3 9.844 -3.032 -6.281 23 HE2 LYS 3 HE2 LYS 3 9.637 -6.014 -5.963 24 HE3 LYS 3 HE3 LYS 3 8.225 -4.995 -6.235 25 HZ1 LYS 3 HZ1 LYS 3 9.814 -4.148 -8.184 26 HZ2 LYS 3 HZ2 LYS 3 8.717 -5.421 -8.375 27 HZ3 LYS 3 HZ3 LYS 3 10.348 -5.750 -8.069 28 H ASP 4 H ASP 4 11.496 -0.729 -3.305 29 HA ASP 4 HA ASP 4 13.957 0.207 -2.268 30 HB2 ASP 4 HB2 ASP 4 13.892 2.509 -2.682 31 HB3 ASP 4 HB3 ASP 4 13.448 1.807 -4.236 32 H ASP 5 H ASP 5 13.635 1.578 -0.315 33 HA ASP 5 HA ASP 5 11.026 1.861 0.802 34 HB2 ASP 5 HB2 ASP 5 11.117 -0.498 1.168 35 HB3 ASP 5 HB3 ASP 5 12.772 -0.406 1.765 36 H VAL 6 H VAL 6 11.888 3.980 1.028 37 HA VAL 6 HA VAL 6 13.752 4.246 3.297 38 HB VAL 6 HB VAL 6 14.393 6.472 2.255 39 HG11 VAL 6 HG11 VAL 6 15.117 3.936 0.791 40 HG12 VAL 6 HG12 VAL 6 16.026 5.448 0.734 41 HG13 VAL 6 HG13 VAL 6 15.889 4.556 2.250 42 HG21 VAL 6 HG21 VAL 6 13.031 5.217 -0.125 43 HG22 VAL 6 HG22 VAL 6 12.586 6.721 0.681 44 HG23 VAL 6 HG23 VAL 6 14.106 6.613 -0.206 45 H ILE 7 H ILE 7 13.083 5.460 4.960 46 HA ILE 7 HA ILE 7 10.485 6.796 4.711 47 HB ILE 7 HB ILE 7 10.391 6.761 7.144 48 HG12 ILE 7 HG12 ILE 7 12.391 5.095 8.017 49 HG13 ILE 7 HG13 ILE 7 13.234 6.089 6.834 50 HG21 ILE 7 HG21 ILE 7 9.645 4.799 5.800 51 HG22 ILE 7 HG22 ILE 7 11.207 4.047 6.123 52 HG23 ILE 7 HG23 ILE 7 10.108 4.404 7.455 53 HD11 ILE 7 HD11 ILE 7 11.661 7.818 8.413 54 HD12 ILE 7 HD12 ILE 7 12.509 6.720 9.502 55 HD13 ILE 7 HD13 ILE 7 13.418 7.688 8.341 56 H GLN 8 H GLN 8 10.232 8.943 4.968 57 HA GLN 8 HA GLN 8 12.623 10.575 5.082 58 HB2 GLN 8 HB2 GLN 8 9.730 11.399 4.786 59 HB3 GLN 8 HB3 GLN 8 11.129 12.438 4.554 60 HG2 GLN 8 HG2 GLN 8 11.670 11.503 2.541 61 HG3 GLN 8 HG3 GLN 8 10.919 9.957 2.933 62 HE21 GLN 8 HE21 GLN 8 10.638 12.692 1.119 63 HE22 GLN 8 HE22 GLN 8 8.948 12.631 0.769 64 H MET 9 H MET 9 13.438 11.243 6.945 65 HA MET 9 HA MET 9 11.624 11.600 9.235 66 HB2 MET 9 HB2 MET 9 13.720 9.980 9.205 67 HB3 MET 9 HB3 MET 9 14.586 11.465 9.575 68 HG2 MET 9 HG2 MET 9 14.162 10.679 11.674 69 HG3 MET 9 HG3 MET 9 12.764 11.723 11.424 70 HE1 MET 9 HE1 MET 9 10.744 11.281 11.831 71 HE2 MET 9 HE2 MET 9 10.068 10.216 10.598 72 HE3 MET 9 HE3 MET 9 9.986 9.759 12.300 73 H GLN 10 H GLN 10 11.971 13.403 10.646 74 HA GLN 10 HA GLN 10 13.069 15.729 9.225 75 HB2 GLN 10 HB2 GLN 10 10.743 15.306 10.980 76 HB3 GLN 10 HB3 GLN 10 11.647 16.780 11.303 77 HG2 GLN 10 HG2 GLN 10 10.349 17.673 9.727 78 HG3 GLN 10 HG3 GLN 10 11.440 16.868 8.599 79 HE21 GLN 10 HE21 GLN 10 10.726 14.302 8.691 80 HE22 GLN 10 HE22 GLN 10 9.084 14.091 8.196 81 H GLY 11 H GLY 11 15.070 16.219 9.842 82 HA2 GLY 11 HA2 GLY 11 15.662 16.185 12.735 83 HA3 GLY 11 HA3 GLY 11 16.815 15.573 11.559 84 H GLU 12 H GLU 12 17.782 17.423 13.168 85 HA GLU 12 HA GLU 12 17.682 19.935 11.632 86 HB2 GLU 12 HB2 GLU 12 16.916 20.396 13.828 87 HB3 GLU 12 HB3 GLU 12 18.185 19.422 14.557 88 HG2 GLU 12 HG2 GLU 12 19.661 21.099 14.527 89 HG3 GLU 12 HG3 GLU 12 19.169 21.637 12.923 90 H VAL 13 H VAL 13 19.549 20.823 10.886 91 HA VAL 13 HA VAL 13 21.819 19.131 10.608 92 HB VAL 13 HB VAL 13 21.501 22.065 9.958 93 HG11 VAL 13 HG11 VAL 13 23.431 21.193 8.296 94 HG12 VAL 13 HG12 VAL 13 23.755 21.956 9.853 95 HG13 VAL 13 HG13 VAL 13 23.770 20.198 9.711 96 HG21 VAL 13 HG21 VAL 13 21.101 21.349 7.696 97 HG22 VAL 13 HG22 VAL 13 21.380 19.664 8.135 98 HG23 VAL 13 HG23 VAL 13 19.969 20.516 8.763 99 H ILE 14 H ILE 14 23.375 18.811 12.042 100 HA ILE 14 HA ILE 14 23.941 20.931 14.009 101 HB ILE 14 HB ILE 14 23.092 18.851 15.014 102 HG12 ILE 14 HG12 ILE 14 24.934 18.526 16.642 103 HG13 ILE 14 HG13 ILE 14 26.016 19.405 15.567 104 HG21 ILE 14 HG21 ILE 14 25.536 17.603 13.767 105 HG22 ILE 14 HG22 ILE 14 24.501 16.822 14.960 106 HG23 ILE 14 HG23 ILE 14 23.853 17.250 13.377 107 HD11 ILE 14 HD11 ILE 14 25.111 20.729 17.473 108 HD12 ILE 14 HD12 ILE 14 24.804 21.425 15.882 109 HD13 ILE 14 HD13 ILE 14 23.514 20.584 16.740 110 H GLU 15 H GLU 15 25.297 18.743 11.655 111 HA GLU 15 HA GLU 15 27.883 20.112 11.954 112 HB2 GLU 15 HB2 GLU 15 27.296 17.238 12.099 113 HB3 GLU 15 HB3 GLU 15 28.595 17.647 10.988 114 HG2 GLU 15 HG2 GLU 15 29.502 19.052 12.971 115 HG3 GLU 15 HG3 GLU 15 28.446 18.029 13.943 116 H ASN 16 H ASN 16 29.057 20.447 10.054 117 HA ASN 16 HA ASN 16 27.649 19.816 7.548 118 HB2 ASN 16 HB2 ASN 16 28.571 22.089 6.744 119 HB3 ASN 16 HB3 ASN 16 27.163 22.097 7.801 120 HD21 ASN 16 HD21 ASN 16 27.362 22.830 9.903 121 HD22 ASN 16 HD22 ASN 16 28.739 23.721 10.446 122 H LEU 17 H LEU 17 28.896 18.527 6.374 123 HA LEU 17 HA LEU 17 31.816 18.847 6.538 124 HB2 LEU 17 HB2 LEU 17 30.040 16.496 6.059 125 HB3 LEU 17 HB3 LEU 17 31.678 16.492 5.409 126 HG LEU 17 HG LEU 17 30.989 16.817 8.328 127 HD11 LEU 17 HD11 LEU 17 31.102 14.596 8.620 128 HD12 LEU 17 HD12 LEU 17 32.369 14.395 7.410 129 HD13 LEU 17 HD13 LEU 17 30.684 14.530 6.908 130 HD21 LEU 17 HD21 LEU 17 33.617 16.374 6.915 131 HD22 LEU 17 HD22 LEU 17 33.383 16.402 8.663 132 HD23 LEU 17 HD23 LEU 17 33.098 17.860 7.710 133 HA PRO 18 HA PRO 18 32.121 20.022 2.322 134 HB2 PRO 18 HB2 PRO 18 34.373 18.731 1.528 135 HB3 PRO 18 HB3 PRO 18 34.397 20.122 2.618 136 HG2 PRO 18 HG2 PRO 18 34.573 17.205 3.266 137 HG3 PRO 18 HG3 PRO 18 35.506 18.558 3.933 138 HD2 PRO 18 HD2 PRO 18 33.410 17.449 5.240 139 HD3 PRO 18 HD3 PRO 18 33.821 19.170 5.381 140 H ASN 19 H ASN 19 32.874 18.863 0.083 141 HA ASN 19 HA ASN 19 32.263 17.449 -1.591 142 HB2 ASN 19 HB2 ASN 19 31.604 15.329 0.433 143 HB3 ASN 19 HB3 ASN 19 32.287 15.145 -1.180 144 HD21 ASN 19 HD21 ASN 19 34.473 16.185 -1.459 145 HD22 ASN 19 HD22 ASN 19 35.598 15.981 -0.164 146 H ALA 20 H ALA 20 30.273 19.061 -0.008 147 HA ALA 20 HA ALA 20 28.040 19.497 -0.082 148 HB1 ALA 20 HB1 ALA 20 26.758 18.670 -1.916 149 HB2 ALA 20 HB2 ALA 20 28.394 18.973 -2.501 150 HB3 ALA 20 HB3 ALA 20 27.871 17.324 -2.160 151 H THR 21 H THR 21 28.503 18.229 2.089 152 HA THR 21 HA THR 21 26.332 16.280 2.322 153 HB THR 21 HB THR 21 27.680 14.814 3.767 154 HG1 THR 21 HG1 THR 21 29.640 15.376 4.354 155 HG21 THR 21 HG21 THR 21 28.772 15.296 0.996 156 HG22 THR 21 HG22 THR 21 27.510 14.159 1.469 157 HG23 THR 21 HG23 THR 21 29.176 13.890 1.980 158 H PHE 22 H PHE 22 25.649 15.937 4.571 159 HA PHE 22 HA PHE 22 26.538 17.852 6.547 160 HB2 PHE 22 HB2 PHE 22 23.793 17.998 5.304 161 HB3 PHE 22 HB3 PHE 22 24.158 18.690 6.881 162 HD1 PHE 22 HD2 PHE 22 25.658 20.608 7.078 163 HD2 PHE 22 HD1 PHE 22 24.567 19.017 3.284 164 HE1 PHE 22 HE2 PHE 22 26.457 22.665 5.989 165 HE2 PHE 22 HE1 PHE 22 25.365 21.071 2.189 166 HZ PHE 22 HZ PHE 22 26.310 22.899 3.542 167 H ARG 23 H ARG 23 25.669 17.446 8.659 168 HA ARG 23 HA ARG 23 24.539 14.737 8.925 169 HB2 ARG 23 HB2 ARG 23 26.622 16.194 10.510 170 HB3 ARG 23 HB3 ARG 23 25.647 14.955 11.287 171 HG2 ARG 23 HG2 ARG 23 26.408 13.608 9.101 172 HG3 ARG 23 HG3 ARG 23 27.781 14.703 9.270 173 HD2 ARG 23 HD2 ARG 23 28.595 13.289 10.782 174 HD3 ARG 23 HD3 ARG 23 27.289 13.801 11.849 175 HE ARG 23 HE ARG 23 26.119 11.872 10.387 176 HH11 ARG 23 HH11 ARG 23 29.123 11.994 12.142 177 HH12 ARG 23 HH12 ARG 23 29.126 10.302 12.513 178 HH21 ARG 23 HH21 ARG 23 26.111 9.642 10.870 179 HH22 ARG 23 HH22 ARG 23 27.413 8.965 11.788 180 H VAL 24 H VAL 24 22.444 14.906 9.394 181 HA VAL 24 HA VAL 24 21.553 17.058 11.186 182 HB VAL 24 HB VAL 24 19.285 16.586 10.379 183 HG11 VAL 24 HG11 VAL 24 20.030 16.967 7.788 184 HG12 VAL 24 HG12 VAL 24 19.966 18.234 9.016 185 HG13 VAL 24 HG13 VAL 24 21.495 17.433 8.651 186 HG21 VAL 24 HG21 VAL 24 19.754 14.150 9.925 187 HG22 VAL 24 HG22 VAL 24 18.810 14.987 8.693 188 HG23 VAL 24 HG23 VAL 24 20.522 14.662 8.422 189 H LYS 25 H LYS 25 20.279 16.626 12.989 190 HA LYS 25 HA LYS 25 20.528 13.891 14.015 191 HB2 LYS 25 HB2 LYS 25 19.694 16.296 15.619 192 HB3 LYS 25 HB3 LYS 25 20.387 14.785 16.194 193 HG2 LYS 25 HG2 LYS 25 22.390 15.636 14.621 194 HG3 LYS 25 HG3 LYS 25 21.704 17.187 15.109 195 HD2 LYS 25 HD2 LYS 25 22.569 14.981 16.979 196 HD3 LYS 25 HD3 LYS 25 23.481 16.452 16.635 197 HE2 LYS 25 HE2 LYS 25 21.439 17.728 17.437 198 HE3 LYS 25 HE3 LYS 25 20.834 16.186 18.040 199 HZ1 LYS 25 HZ1 LYS 25 21.912 17.027 19.866 200 HZ2 LYS 25 HZ2 LYS 25 23.137 17.764 18.962 201 HZ3 LYS 25 HZ3 LYS 25 23.142 16.086 19.183 202 H LEU 26 H LEU 26 18.808 12.619 14.300 203 HA LEU 26 HA LEU 26 16.222 13.512 13.432 204 HB2 LEU 26 HB2 LEU 26 16.759 10.900 14.798 205 HB3 LEU 26 HB3 LEU 26 15.549 11.279 13.573 206 HG LEU 26 HG LEU 26 18.521 11.023 13.117 207 HD11 LEU 26 HD11 LEU 26 16.778 8.998 13.484 208 HD12 LEU 26 HD12 LEU 26 18.190 8.907 12.432 209 HD13 LEU 26 HD13 LEU 26 16.603 9.262 11.748 210 HD21 LEU 26 HD21 LEU 26 17.206 10.947 10.686 211 HD22 LEU 26 HD22 LEU 26 18.152 12.292 11.324 212 HD23 LEU 26 HD23 LEU 26 16.405 12.252 11.561 213 H GLU 27 H GLU 27 14.806 11.721 15.332 214 HA GLU 27 HA GLU 27 14.445 13.698 17.443 215 HB2 GLU 27 HB2 GLU 27 12.394 12.471 17.971 216 HB3 GLU 27 HB3 GLU 27 12.457 12.893 16.266 217 HG2 GLU 27 HG2 GLU 27 13.244 10.597 15.776 218 HG3 GLU 27 HG3 GLU 27 13.023 10.198 17.479 219 H ASN 28 H ASN 28 15.332 10.314 17.024 220 HA ASN 28 HA ASN 28 15.417 9.652 19.775 221 HB2 ASN 28 HB2 ASN 28 16.628 8.427 17.306 222 HB3 ASN 28 HB3 ASN 28 16.967 7.777 18.907 223 HD21 ASN 28 HD21 ASN 28 15.604 6.521 16.690 224 HD22 ASN 28 HD22 ASN 28 14.022 6.113 17.253 225 H GLY 29 H GLY 29 17.467 11.527 17.809 226 HA2 GLY 29 HA2 GLY 29 19.135 12.897 18.903 227 HA3 GLY 29 HA3 GLY 29 19.491 11.533 19.954 228 H HIS 30 H HIS 30 19.218 9.874 17.330 229 HA HIS 30 HA HIS 30 22.011 9.706 16.835 230 HB2 HIS 30 HB2 HIS 30 19.827 8.552 15.101 231 HB3 HIS 30 HB3 HIS 30 21.478 7.967 15.287 232 HD1 HIS 30 HD1 HIS 30 18.765 6.345 15.842 233 HD2 HIS 30 HD2 HIS 30 21.307 8.006 18.678 234 HE1 HIS 30 HE1 HIS 30 18.353 5.047 17.956 235 H VAL 31 H VAL 31 23.242 10.495 15.201 236 HA VAL 31 HA VAL 31 21.986 12.512 13.482 237 HB VAL 31 HB VAL 31 24.233 13.384 13.107 238 HG11 VAL 31 HG11 VAL 31 24.307 14.521 15.061 239 HG12 VAL 31 HG12 VAL 31 22.773 13.693 15.336 240 HG13 VAL 31 HG13 VAL 31 24.260 13.057 16.042 241 HG21 VAL 31 HG21 VAL 31 24.995 10.813 14.238 242 HG22 VAL 31 HG22 VAL 31 25.915 11.917 13.216 243 HG23 VAL 31 HG23 VAL 31 25.864 12.166 14.961 244 H VAL 32 H VAL 32 21.861 12.289 11.332 245 HA VAL 32 HA VAL 32 23.138 9.923 10.130 246 HB VAL 32 HB VAL 32 21.398 9.912 8.462 247 HG11 VAL 32 HG11 VAL 32 20.081 8.764 9.834 248 HG12 VAL 32 HG12 VAL 32 20.987 9.438 11.191 249 HG13 VAL 32 HG13 VAL 32 19.526 10.243 10.617 250 HG21 VAL 32 HG21 VAL 32 20.946 12.619 9.442 251 HG22 VAL 32 HG22 VAL 32 20.559 11.902 7.878 252 HG23 VAL 32 HG23 VAL 32 19.458 11.695 9.240 253 H LEU 33 H LEU 33 24.443 10.137 8.389 254 HA LEU 33 HA LEU 33 25.014 12.876 7.495 255 HB2 LEU 33 HB2 LEU 33 26.933 11.806 8.419 256 HB3 LEU 33 HB3 LEU 33 26.659 10.356 7.455 257 HG LEU 33 HG LEU 33 27.162 11.714 5.415 258 HD11 LEU 33 HD11 LEU 33 26.672 13.917 6.371 259 HD12 LEU 33 HD12 LEU 33 28.295 13.844 5.685 260 HD13 LEU 33 HD13 LEU 33 28.071 13.762 7.433 261 HD21 LEU 33 HD21 LEU 33 28.916 10.643 7.371 262 HD22 LEU 33 HD22 LEU 33 29.662 12.097 6.708 263 HD23 LEU 33 HD23 LEU 33 29.166 10.790 5.631 264 H GLY 34 H GLY 34 24.779 13.472 5.408 265 HA2 GLY 34 HA2 GLY 34 24.560 11.502 3.299 266 HA3 GLY 34 HA3 GLY 34 23.057 12.337 3.667 267 H HIS 35 H HIS 35 23.536 12.821 1.266 268 HA HIS 35 HA HIS 35 24.988 15.381 1.150 269 HB2 HIS 35 HB2 HIS 35 25.693 14.885 -1.110 270 HB3 HIS 35 HB3 HIS 35 26.194 13.567 -0.055 271 HD1 HIS 35 HD1 HIS 35 25.360 11.262 -0.615 272 HD2 HIS 35 HD2 HIS 35 23.456 14.234 -2.806 273 HE1 HIS 35 HE1 HIS 35 23.996 10.051 -2.347 274 H ILE 36 H ILE 36 24.079 17.018 -0.099 275 HA ILE 36 HA ILE 36 21.225 16.658 -0.651 276 HB ILE 36 HB ILE 36 21.728 18.510 0.813 277 HG12 ILE 36 HG12 ILE 36 20.691 20.352 -0.462 278 HG13 ILE 36 HG13 ILE 36 20.999 19.481 -1.960 279 HG21 ILE 36 HG21 ILE 36 23.088 20.420 0.037 280 HG22 ILE 36 HG22 ILE 36 24.021 18.932 0.188 281 HG23 ILE 36 HG23 ILE 36 23.515 19.498 -1.404 282 HD11 ILE 36 HD11 ILE 36 18.714 19.179 -1.360 283 HD12 ILE 36 HD12 ILE 36 19.553 17.648 -1.109 284 HD13 ILE 36 HD13 ILE 36 19.153 18.672 0.270 285 H SER 37 H SER 37 20.380 16.787 -2.647 286 HA SER 37 HA SER 37 21.870 17.987 -4.826 287 HB2 SER 37 HB2 SER 37 22.546 15.489 -4.538 288 HB3 SER 37 HB3 SER 37 20.957 15.151 -5.223 289 HG SER 37 HG SER 37 22.679 15.294 -6.790 290 H GLY 38 H GLY 38 20.580 17.952 -6.881 291 HA2 GLY 38 HA2 GLY 38 18.226 17.371 -7.671 292 HA3 GLY 38 HA3 GLY 38 17.718 18.205 -6.209 293 H LYS 39 H LYS 39 16.491 19.492 -7.812 294 HA LYS 39 HA LYS 39 17.971 21.284 -9.514 295 HB2 LYS 39 HB2 LYS 39 15.693 20.418 -10.073 296 HB3 LYS 39 HB3 LYS 39 15.047 21.382 -8.751 297 HG2 LYS 39 HG2 LYS 39 16.249 23.342 -10.011 298 HG3 LYS 39 HG3 LYS 39 16.114 22.248 -11.390 299 HD2 LYS 39 HD2 LYS 39 13.813 23.111 -9.637 300 HD3 LYS 39 HD3 LYS 39 14.210 23.821 -11.204 301 HE2 LYS 39 HE2 LYS 39 14.067 21.364 -12.049 302 HE3 LYS 39 HE3 LYS 39 13.149 21.098 -10.567 303 HZ1 LYS 39 HZ1 LYS 39 12.378 22.459 -12.985 304 HZ2 LYS 39 HZ2 LYS 39 12.005 23.321 -11.579 305 HZ3 LYS 39 HZ3 LYS 39 11.415 21.750 -11.789 306 H MET 40 H MET 40 16.733 21.310 -6.285 307 HA MET 40 HA MET 40 16.868 24.187 -6.015 308 HB2 MET 40 HB2 MET 40 15.312 22.450 -4.775 309 HB3 MET 40 HB3 MET 40 16.671 22.356 -3.663 310 HG2 MET 40 HG2 MET 40 15.471 24.000 -2.662 311 HG3 MET 40 HG3 MET 40 16.474 24.978 -3.731 312 HE1 MET 40 HE1 MET 40 12.404 24.199 -3.076 313 HE2 MET 40 HE2 MET 40 13.691 24.946 -2.129 314 HE3 MET 40 HE3 MET 40 12.577 25.954 -3.054 315 H ARG 41 H ARG 41 18.972 21.507 -5.659 316 HA ARG 41 HA ARG 41 20.766 22.771 -3.792 317 HB2 ARG 41 HB2 ARG 41 20.629 20.366 -3.772 318 HB3 ARG 41 HB3 ARG 41 21.015 20.283 -5.485 319 HG2 ARG 41 HG2 ARG 41 22.911 19.665 -4.056 320 HG3 ARG 41 HG3 ARG 41 23.255 21.074 -5.061 321 HD2 ARG 41 HD2 ARG 41 22.785 22.541 -3.160 322 HD3 ARG 41 HD3 ARG 41 22.440 21.132 -2.158 323 HE ARG 41 HE ARG 41 24.947 20.652 -3.039 324 HH11 ARG 41 HH11 ARG 41 23.446 23.391 -1.500 325 HH12 ARG 41 HH12 ARG 41 24.898 23.905 -0.706 326 HH21 ARG 41 HH21 ARG 41 26.864 21.319 -1.999 327 HH22 ARG 41 HH22 ARG 41 26.841 22.727 -0.991 328 H MET 42 H MET 42 20.239 22.886 -7.155 329 HA MET 42 HA MET 42 22.939 23.560 -7.895 330 HB2 MET 42 HB2 MET 42 20.326 23.743 -9.401 331 HB3 MET 42 HB3 MET 42 21.892 24.131 -10.100 332 HG2 MET 42 HG2 MET 42 21.364 21.457 -8.863 333 HG3 MET 42 HG3 MET 42 20.898 21.810 -10.525 334 HE1 MET 42 HE1 MET 42 23.923 19.918 -11.699 335 HE2 MET 42 HE2 MET 42 22.688 19.414 -10.546 336 HE3 MET 42 HE3 MET 42 22.238 20.372 -11.957 337 H HIS 43 H HIS 43 20.206 25.230 -6.670 338 HA HIS 43 HA HIS 43 21.035 27.827 -7.649 339 HB2 HIS 43 HB2 HIS 43 18.622 27.147 -7.294 340 HB3 HIS 43 HB3 HIS 43 18.932 27.237 -5.563 341 HD1 HIS 43 HD1 HIS 43 19.835 29.645 -8.374 342 HD2 HIS 43 HD2 HIS 43 17.807 29.552 -4.749 343 HE1 HIS 43 HE1 HIS 43 19.098 32.013 -7.955 344 H TYR 44 H TYR 44 22.037 25.815 -5.214 345 HA TYR 44 HA TYR 44 23.395 26.080 -3.409 346 HB2 TYR 44 HB2 TYR 44 23.716 28.965 -4.229 347 HB3 TYR 44 HB3 TYR 44 24.845 27.967 -3.320 348 HD1 TYR 44 HD2 TYR 44 25.776 25.875 -4.580 349 HD2 TYR 44 HD1 TYR 44 24.024 29.236 -6.512 350 HE1 TYR 44 HE2 TYR 44 26.928 25.269 -6.667 351 HE2 TYR 44 HE1 TYR 44 25.170 28.639 -8.605 352 HH TYR 44 HH TYR 44 27.403 25.888 -8.755 353 H ILE 45 H ILE 45 21.101 25.917 -2.445 354 HA ILE 45 HA ILE 45 19.777 28.121 -1.363 355 HB ILE 45 HB ILE 45 18.569 26.632 -0.007 356 HG12 ILE 45 HG12 ILE 45 20.417 25.616 1.203 357 HG13 ILE 45 HG13 ILE 45 19.373 24.355 0.557 358 HG21 ILE 45 HG21 ILE 45 19.140 24.506 -1.899 359 HG22 ILE 45 HG22 ILE 45 17.674 25.460 -1.678 360 HG23 ILE 45 HG23 ILE 45 18.986 26.080 -2.680 361 HD11 ILE 45 HD11 ILE 45 22.108 25.171 -0.330 362 HD12 ILE 45 HD12 ILE 45 21.515 23.577 0.140 363 HD13 ILE 45 HD13 ILE 45 21.027 24.281 -1.402 364 H ARG 46 H ARG 46 19.606 28.715 0.940 365 HA ARG 46 HA ARG 46 22.226 29.215 2.026 366 HB2 ARG 46 HB2 ARG 46 19.463 30.152 2.554 367 HB3 ARG 46 HB3 ARG 46 20.573 30.186 3.918 368 HG2 ARG 46 HG2 ARG 46 20.878 32.279 3.050 369 HG3 ARG 46 HG3 ARG 46 22.156 31.388 2.222 370 HD2 ARG 46 HD2 ARG 46 21.180 32.549 0.482 371 HD3 ARG 46 HD3 ARG 46 20.342 31.000 0.402 372 HE ARG 46 HE ARG 46 18.393 32.049 1.017 373 HH11 ARG 46 HH11 ARG 46 21.087 34.196 1.522 374 HH12 ARG 46 HH12 ARG 46 20.094 35.580 1.835 375 HH21 ARG 46 HH21 ARG 46 17.074 33.864 1.428 376 HH22 ARG 46 HH22 ARG 46 17.811 35.390 1.783 377 H ILE 47 H ILE 47 23.235 27.678 3.140 378 HA ILE 47 HA ILE 47 21.651 26.011 4.983 379 HB ILE 47 HB ILE 47 24.298 25.358 3.684 380 HG12 ILE 47 HG12 ILE 47 21.579 24.117 3.226 381 HG13 ILE 47 HG13 ILE 47 22.304 25.322 2.168 382 HG21 ILE 47 HG21 ILE 47 23.638 23.033 4.630 383 HG22 ILE 47 HG22 ILE 47 24.373 24.227 5.699 384 HG23 ILE 47 HG23 ILE 47 22.630 23.966 5.736 385 HD11 ILE 47 HD11 ILE 47 23.289 23.692 1.053 386 HD12 ILE 47 HD12 ILE 47 24.209 23.279 2.501 387 HD13 ILE 47 HD13 ILE 47 22.659 22.498 2.189 388 H LEU 48 H LEU 48 22.227 25.881 7.095 389 HA LEU 48 HA LEU 48 24.781 26.744 8.062 390 HB2 LEU 48 HB2 LEU 48 23.538 28.472 9.602 391 HB3 LEU 48 HB3 LEU 48 24.145 28.929 8.012 392 HG LEU 48 HG LEU 48 21.859 28.619 7.102 393 HD11 LEU 48 HD11 LEU 48 20.578 27.262 8.362 394 HD12 LEU 48 HD12 LEU 48 20.150 28.766 9.177 395 HD13 LEU 48 HD13 LEU 48 21.386 27.712 9.864 396 HD21 LEU 48 HD21 LEU 48 21.377 30.766 7.540 397 HD22 LEU 48 HD22 LEU 48 22.905 30.753 8.423 398 HD23 LEU 48 HD23 LEU 48 21.384 30.517 9.286 399 HA PRO 49 HA PRO 49 23.725 24.152 11.441 400 HB2 PRO 49 HB2 PRO 49 25.008 25.348 13.513 401 HB3 PRO 49 HB3 PRO 49 25.858 24.476 12.232 402 HG2 PRO 49 HG2 PRO 49 25.430 27.421 12.558 403 HG3 PRO 49 HG3 PRO 49 26.896 26.551 12.068 404 HD2 PRO 49 HD2 PRO 49 25.262 27.772 10.286 405 HD3 PRO 49 HD3 PRO 49 26.170 26.297 9.895 406 H GLY 50 H GLY 50 21.699 24.061 12.196 407 HA2 GLY 50 HA2 GLY 50 20.408 24.717 14.229 408 HA3 GLY 50 HA3 GLY 50 20.691 26.378 13.730 409 H ASP 51 H ASP 51 20.190 24.371 11.078 410 HA ASP 51 HA ASP 51 17.453 25.389 10.806 411 HB2 ASP 51 HB2 ASP 51 19.281 25.809 9.044 412 HB3 ASP 51 HB3 ASP 51 19.074 24.114 8.612 413 H LYS 52 H LYS 52 15.832 23.984 9.816 414 HA LYS 52 HA LYS 52 16.193 21.185 10.657 415 HB2 LYS 52 HB2 LYS 52 13.752 22.948 10.574 416 HB3 LYS 52 HB3 LYS 52 13.633 21.198 10.700 417 HG2 LYS 52 HG2 LYS 52 15.034 21.323 12.757 418 HG3 LYS 52 HG3 LYS 52 14.925 23.082 12.657 419 HD2 LYS 52 HD2 LYS 52 12.424 21.452 12.603 420 HD3 LYS 52 HD3 LYS 52 13.244 21.728 14.141 421 HE2 LYS 52 HE2 LYS 52 13.055 24.102 13.887 422 HE3 LYS 52 HE3 LYS 52 12.450 23.928 12.240 423 HZ1 LYS 52 HZ1 LYS 52 10.657 24.385 13.780 424 HZ2 LYS 52 HZ2 LYS 52 11.058 23.028 14.705 425 HZ3 LYS 52 HZ3 LYS 52 10.479 22.834 13.127 426 H VAL 53 H VAL 53 16.179 19.671 9.134 427 HA VAL 53 HA VAL 53 14.726 20.153 6.634 428 HB VAL 53 HB VAL 53 16.553 19.400 5.257 429 HG11 VAL 53 HG11 VAL 53 17.630 21.385 5.192 430 HG12 VAL 53 HG12 VAL 53 16.419 21.833 6.396 431 HG13 VAL 53 HG13 VAL 53 18.036 21.344 6.908 432 HG21 VAL 53 HG21 VAL 53 17.786 17.843 6.401 433 HG22 VAL 53 HG22 VAL 53 18.857 19.239 6.519 434 HG23 VAL 53 HG23 VAL 53 17.827 18.800 7.881 435 H THR 54 H THR 54 14.580 18.123 5.304 436 HA THR 54 HA THR 54 14.043 15.870 7.097 437 HB THR 54 HB THR 54 13.199 16.083 4.210 438 HG1 THR 54 HG1 THR 54 11.140 16.775 5.258 439 HG21 THR 54 HG21 THR 54 11.522 14.470 4.825 440 HG22 THR 54 HG22 THR 54 11.983 14.573 6.524 441 HG23 THR 54 HG23 THR 54 13.094 13.868 5.350 442 H VAL 55 H VAL 55 14.827 13.804 6.719 443 HA VAL 55 HA VAL 55 16.768 13.456 4.551 444 HB VAL 55 HB VAL 55 18.247 12.220 6.244 445 HG11 VAL 55 HG11 VAL 55 19.582 14.083 6.478 446 HG12 VAL 55 HG12 VAL 55 18.527 14.576 5.152 447 HG13 VAL 55 HG13 VAL 55 18.216 15.154 6.790 448 HG21 VAL 55 HG21 VAL 55 18.116 13.017 8.550 449 HG22 VAL 55 HG22 VAL 55 16.671 13.946 8.153 450 HG23 VAL 55 HG23 VAL 55 16.633 12.185 8.081 451 H GLU 56 H GLU 56 16.761 11.463 3.656 452 HA GLU 56 HA GLU 56 14.861 9.526 4.767 453 HB2 GLU 56 HB2 GLU 56 15.448 10.426 2.123 454 HB3 GLU 56 HB3 GLU 56 15.819 8.710 2.214 455 HG2 GLU 56 HG2 GLU 56 13.598 8.193 2.915 456 HG3 GLU 56 HG3 GLU 56 13.203 9.901 3.095 457 H LEU 57 H LEU 57 15.704 7.972 5.977 458 HA LEU 57 HA LEU 57 18.383 6.951 5.298 459 HB2 LEU 57 HB2 LEU 57 18.676 6.369 7.607 460 HB3 LEU 57 HB3 LEU 57 18.221 8.068 7.488 461 HG LEU 57 HG LEU 57 15.805 7.069 7.936 462 HD11 LEU 57 HD11 LEU 57 17.109 5.259 9.807 463 HD12 LEU 57 HD12 LEU 57 17.291 4.769 8.123 464 HD13 LEU 57 HD13 LEU 57 15.681 5.017 8.800 465 HD21 LEU 57 HD21 LEU 57 17.559 8.566 9.333 466 HD22 LEU 57 HD22 LEU 57 17.427 7.163 10.394 467 HD23 LEU 57 HD23 LEU 57 15.981 8.071 9.947 468 H THR 58 H THR 58 18.760 4.668 5.662 469 HA THR 58 HA THR 58 16.362 3.086 5.063 470 HB THR 58 HB THR 58 18.317 1.322 4.608 471 HG1 THR 58 HG1 THR 58 19.897 2.992 5.247 472 HG21 THR 58 HG21 THR 58 17.793 3.500 2.596 473 HG22 THR 58 HG22 THR 58 16.572 2.305 3.033 474 HG23 THR 58 HG23 THR 58 18.091 1.787 2.304 475 HA PRO 59 HA PRO 59 16.430 0.878 8.855 476 HB2 PRO 59 HB2 PRO 59 15.799 -1.641 8.063 477 HB3 PRO 59 HB3 PRO 59 14.628 -0.317 8.076 478 HG2 PRO 59 HG2 PRO 59 16.194 -1.437 5.784 479 HG3 PRO 59 HG3 PRO 59 14.488 -0.959 5.846 480 HD2 PRO 59 HD2 PRO 59 16.405 0.618 4.764 481 HD3 PRO 59 HD3 PRO 59 14.975 1.278 5.584 482 H TYR 60 H TYR 60 18.026 -0.998 6.271 483 HA TYR 60 HA TYR 60 19.712 -2.414 8.082 484 HB2 TYR 60 HB2 TYR 60 19.995 -2.045 5.093 485 HB3 TYR 60 HB3 TYR 60 20.832 -3.247 6.068 486 HD1 TYR 60 HD2 TYR 60 19.541 -5.105 7.107 487 HD2 TYR 60 HD1 TYR 60 17.758 -2.393 4.356 488 HE1 TYR 60 HE2 TYR 60 17.685 -6.683 6.763 489 HE2 TYR 60 HE1 TYR 60 15.897 -3.962 4.006 490 HH TYR 60 HH TYR 60 15.177 -6.074 4.358 491 H ASP 61 H ASP 61 20.171 0.366 5.939 492 HA ASP 61 HA ASP 61 22.846 0.773 7.082 493 HB2 ASP 61 HB2 ASP 61 21.757 2.358 4.780 494 HB3 ASP 61 HB3 ASP 61 23.430 1.964 5.164 495 H LEU 62 H LEU 62 22.168 1.656 9.065 496 HA LEU 62 HA LEU 62 20.590 4.103 9.014 497 HB2 LEU 62 HB2 LEU 62 21.753 2.535 11.311 498 HB3 LEU 62 HB3 LEU 62 20.730 3.962 11.474 499 HG LEU 62 HG LEU 62 19.722 1.553 10.012 500 HD11 LEU 62 HD11 LEU 62 18.667 1.068 12.371 501 HD12 LEU 62 HD12 LEU 62 20.140 1.851 12.942 502 HD13 LEU 62 HD13 LEU 62 20.244 0.415 11.925 503 HD21 LEU 62 HD21 LEU 62 18.379 3.680 11.677 504 HD22 LEU 62 HD22 LEU 62 17.572 2.395 10.779 505 HD23 LEU 62 HD23 LEU 62 18.459 3.652 9.916 506 H SER 63 H SER 63 23.563 3.633 8.171 507 HA SER 63 HA SER 63 24.636 5.942 9.657 508 HB2 SER 63 HB2 SER 63 25.964 3.426 8.701 509 HB3 SER 63 HB3 SER 63 26.909 4.904 8.883 510 HG SER 63 HG SER 63 26.654 3.356 10.760 511 H ARG 64 H ARG 64 23.041 5.775 7.133 512 HA ARG 64 HA ARG 64 24.478 7.726 5.659 513 HB2 ARG 64 HB2 ARG 64 24.724 6.446 3.551 514 HB3 ARG 64 HB3 ARG 64 25.752 5.841 4.842 515 HG2 ARG 64 HG2 ARG 64 23.715 4.219 5.242 516 HG3 ARG 64 HG3 ARG 64 23.394 4.588 3.547 517 HD2 ARG 64 HD2 ARG 64 25.981 3.515 4.667 518 HD3 ARG 64 HD3 ARG 64 24.772 2.581 3.787 519 HE ARG 64 HE ARG 64 25.549 4.748 2.196 520 HH11 ARG 64 HH11 ARG 64 26.863 1.794 3.487 521 HH12 ARG 64 HH12 ARG 64 27.980 1.567 2.183 522 HH21 ARG 64 HH21 ARG 64 27.016 4.461 0.473 523 HH22 ARG 64 HH22 ARG 64 28.068 3.085 0.470 524 H ALA 65 H ALA 65 22.902 9.046 5.065 525 HA ALA 65 HA ALA 65 20.457 7.905 3.901 526 HB1 ALA 65 HB1 ALA 65 19.271 9.880 5.107 527 HB2 ALA 65 HB2 ALA 65 19.624 8.398 5.996 528 HB3 ALA 65 HB3 ALA 65 20.660 9.812 6.192 529 H ARG 66 H ARG 66 19.110 9.732 2.870 530 HA ARG 66 HA ARG 66 20.956 11.370 1.285 531 HB2 ARG 66 HB2 ARG 66 19.149 11.509 -0.360 532 HB3 ARG 66 HB3 ARG 66 19.523 9.835 0.027 533 HG2 ARG 66 HG2 ARG 66 17.579 9.707 1.472 534 HG3 ARG 66 HG3 ARG 66 17.220 11.407 1.163 535 HD2 ARG 66 HD2 ARG 66 15.812 10.383 -0.336 536 HD3 ARG 66 HD3 ARG 66 17.238 10.645 -1.339 537 HE ARG 66 HE ARG 66 17.562 8.151 -0.228 538 HH11 ARG 66 HH11 ARG 66 15.203 9.724 -2.248 539 HH12 ARG 66 HH12 ARG 66 14.740 8.268 -3.066 540 HH21 ARG 66 HH21 ARG 66 16.962 6.227 -1.297 541 HH22 ARG 66 HH22 ARG 66 15.741 6.280 -2.523 542 H ILE 67 H ILE 67 20.905 13.539 1.330 543 HA ILE 67 HA ILE 67 19.357 14.852 3.352 544 HB ILE 67 HB ILE 67 21.154 16.015 1.220 545 HG12 ILE 67 HG12 ILE 67 22.260 14.493 2.857 546 HG13 ILE 67 HG13 ILE 67 22.832 16.155 2.955 547 HG21 ILE 67 HG21 ILE 67 19.601 17.691 1.963 548 HG22 ILE 67 HG22 ILE 67 19.900 17.279 3.651 549 HG23 ILE 67 HG23 ILE 67 21.175 18.020 2.684 550 HD11 ILE 67 HD11 ILE 67 22.134 16.385 5.059 551 HD12 ILE 67 HD12 ILE 67 20.603 15.567 4.744 552 HD13 ILE 67 HD13 ILE 67 22.058 14.624 5.066 553 H VAL 68 H VAL 68 17.457 15.847 3.163 554 HA VAL 68 HA VAL 68 16.402 16.322 0.450 555 HB VAL 68 HB VAL 68 14.637 15.956 2.850 556 HG11 VAL 68 HG11 VAL 68 14.308 15.739 -0.128 557 HG12 VAL 68 HG12 VAL 68 13.125 15.071 0.998 558 HG13 VAL 68 HG13 VAL 68 13.465 16.802 0.999 559 HG21 VAL 68 HG21 VAL 68 14.501 13.535 1.660 560 HG22 VAL 68 HG22 VAL 68 16.212 13.902 1.445 561 HG23 VAL 68 HG23 VAL 68 15.510 13.887 3.063 562 H PHE 69 H PHE 69 14.802 18.091 0.300 563 HA PHE 69 HA PHE 69 15.810 20.525 1.089 564 HB2 PHE 69 HB2 PHE 69 12.881 19.948 0.610 565 HB3 PHE 69 HB3 PHE 69 13.696 21.497 0.426 566 HD1 PHE 69 HD1 PHE 69 16.094 20.829 -1.051 567 HD2 PHE 69 HD2 PHE 69 12.137 19.319 -1.477 568 HE1 PHE 69 HE1 PHE 69 16.550 20.309 -3.412 569 HE2 PHE 69 HE2 PHE 69 12.588 18.795 -3.838 570 HZ PHE 69 HZ PHE 69 14.797 19.290 -4.809 571 H ARG 70 H ARG 70 14.757 22.172 2.512 572 HA ARG 70 HA ARG 70 14.875 21.469 5.168 573 HB2 ARG 70 HB2 ARG 70 13.596 23.597 5.597 574 HB3 ARG 70 HB3 ARG 70 15.014 23.771 4.571 575 HG2 ARG 70 HG2 ARG 70 13.698 23.991 2.623 576 HG3 ARG 70 HG3 ARG 70 12.240 23.459 3.464 577 HD2 ARG 70 HD2 ARG 70 13.727 25.919 4.320 578 HD3 ARG 70 HD3 ARG 70 12.547 25.974 3.011 579 HE ARG 70 HE ARG 70 12.003 25.781 5.812 580 HH11 ARG 70 HH11 ARG 70 10.819 24.965 2.641 581 HH12 ARG 70 HH12 ARG 70 9.160 24.897 3.136 582 HH21 ARG 70 HH21 ARG 70 9.823 25.695 6.475 583 HH22 ARG 70 HH22 ARG 70 8.594 25.314 5.317 584 H ALA 71 H ALA 71 13.181 21.443 6.822 585 HA ALA 71 HA ALA 71 10.858 19.918 5.886 586 HB1 ALA 71 HB1 ALA 71 10.638 19.391 8.374 587 HB2 ALA 71 HB2 ALA 71 12.015 18.696 7.516 588 HB3 ALA 71 HB3 ALA 71 12.239 20.112 8.544 589 H LYS 72 H LYS 72 8.948 20.217 7.611 590 HA LYS 72 HA LYS 72 8.021 22.902 7.203 591 HB2 LYS 72 HB2 LYS 72 6.710 20.712 8.819 592 HB3 LYS 72 HB3 LYS 72 5.936 22.139 8.142 593 HG2 LYS 72 HG2 LYS 72 7.241 20.030 6.446 594 HG3 LYS 72 HG3 LYS 72 5.541 19.979 6.917 595 HD2 LYS 72 HD2 LYS 72 5.044 21.946 5.721 596 HD3 LYS 72 HD3 LYS 72 6.749 22.371 5.554 597 HE2 LYS 72 HE2 LYS 72 6.884 20.103 4.264 598 HE3 LYS 72 HE3 LYS 72 5.145 20.324 4.083 599 HZ1 LYS 72 HZ1 LYS 72 6.500 22.726 3.465 600 HZ2 LYS 72 HZ2 LYS 72 5.493 21.791 2.479 601 HZ3 LYS 72 HZ3 LYS 72 7.151 21.458 2.552 Start of MODEL 3 1 H1 MET 1 H MET 1 16.234 -10.442 -6.782 2 HA MET 1 HA MET 1 13.445 -10.356 -6.097 3 HB2 MET 1 HB2 MET 1 15.466 -11.051 -3.959 4 HB3 MET 1 HB3 MET 1 13.784 -10.631 -3.665 5 HG2 MET 1 HG2 MET 1 13.611 -12.887 -3.614 6 HG3 MET 1 HG3 MET 1 13.365 -12.627 -5.339 7 HE1 MET 1 HE1 MET 1 14.908 -15.632 -6.006 8 HE2 MET 1 HE2 MET 1 15.033 -15.862 -4.261 9 HE3 MET 1 HE3 MET 1 13.610 -15.076 -4.948 10 H ALA 2 H ALA 2 12.874 -8.461 -4.899 11 HA ALA 2 HA ALA 2 14.986 -6.502 -4.431 12 HB1 ALA 2 HB1 ALA 2 12.704 -6.074 -6.348 13 HB2 ALA 2 HB2 ALA 2 13.687 -4.766 -5.688 14 HB3 ALA 2 HB3 ALA 2 14.432 -6.009 -6.694 15 H LYS 3 H LYS 3 13.690 -4.317 -3.761 16 HA LYS 3 HA LYS 3 11.266 -4.606 -2.360 17 HB2 LYS 3 HB2 LYS 3 12.283 -4.384 -0.028 18 HB3 LYS 3 HB3 LYS 3 12.334 -5.977 -0.770 19 HG2 LYS 3 HG2 LYS 3 14.673 -5.522 -1.463 20 HG3 LYS 3 HG3 LYS 3 14.598 -4.005 -0.563 21 HD2 LYS 3 HD2 LYS 3 15.520 -5.365 1.030 22 HD3 LYS 3 HD3 LYS 3 13.807 -5.601 1.385 23 HE2 LYS 3 HE2 LYS 3 14.807 -7.753 1.357 24 HE3 LYS 3 HE3 LYS 3 13.877 -7.603 -0.133 25 HZ1 LYS 3 HZ1 LYS 3 15.709 -7.765 -1.373 26 HZ2 LYS 3 HZ2 LYS 3 16.456 -8.378 0.015 27 HZ3 LYS 3 HZ3 LYS 3 16.613 -6.740 -0.376 28 H ASP 4 H ASP 4 10.609 -2.673 -1.315 29 HA ASP 4 HA ASP 4 12.404 -0.375 -1.719 30 HB2 ASP 4 HB2 ASP 4 9.556 -0.727 -2.587 31 HB3 ASP 4 HB3 ASP 4 10.152 0.880 -2.181 32 H ASP 5 H ASP 5 12.847 0.498 0.184 33 HA ASP 5 HA ASP 5 10.673 0.867 2.116 34 HB2 ASP 5 HB2 ASP 5 13.396 -0.284 2.754 35 HB3 ASP 5 HB3 ASP 5 12.233 0.248 3.964 36 H VAL 6 H VAL 6 10.829 3.029 1.126 37 HA VAL 6 HA VAL 6 12.958 4.611 2.409 38 HB VAL 6 HB VAL 6 12.878 6.183 0.520 39 HG11 VAL 6 HG11 VAL 6 13.389 3.525 -0.729 40 HG12 VAL 6 HG12 VAL 6 14.347 5.005 -0.795 41 HG13 VAL 6 HG13 VAL 6 14.349 4.016 0.666 42 HG21 VAL 6 HG21 VAL 6 11.722 4.651 -1.522 43 HG22 VAL 6 HG22 VAL 6 10.572 4.616 -0.185 44 HG23 VAL 6 HG23 VAL 6 11.117 6.160 -0.839 45 H ILE 7 H ILE 7 12.329 6.375 3.527 46 HA ILE 7 HA ILE 7 9.681 7.505 3.137 47 HB ILE 7 HB ILE 7 9.075 7.340 5.515 48 HG12 ILE 7 HG12 ILE 7 10.557 5.241 6.515 49 HG13 ILE 7 HG13 ILE 7 11.769 6.201 5.673 50 HG21 ILE 7 HG21 ILE 7 8.379 5.030 5.496 51 HG22 ILE 7 HG22 ILE 7 8.260 5.691 3.866 52 HG23 ILE 7 HG23 ILE 7 9.607 4.636 4.293 53 HD11 ILE 7 HD11 ILE 7 11.816 7.666 7.325 54 HD12 ILE 7 HD12 ILE 7 10.072 7.910 7.222 55 HD13 ILE 7 HD13 ILE 7 10.724 6.618 8.230 56 H GLN 8 H GLN 8 9.646 9.644 3.520 57 HA GLN 8 HA GLN 8 12.115 10.941 4.247 58 HB2 GLN 8 HB2 GLN 8 10.910 13.025 3.744 59 HB3 GLN 8 HB3 GLN 8 10.764 11.856 2.439 60 HG2 GLN 8 HG2 GLN 8 8.555 11.252 3.832 61 HG3 GLN 8 HG3 GLN 8 8.709 12.961 4.236 62 HE21 GLN 8 HE21 GLN 8 8.812 10.774 1.449 63 HE22 GLN 8 HE22 GLN 8 8.013 11.849 0.357 64 H MET 9 H MET 9 12.681 11.526 6.229 65 HA MET 9 HA MET 9 10.582 11.723 8.283 66 HB2 MET 9 HB2 MET 9 12.669 10.063 8.357 67 HB3 MET 9 HB3 MET 9 13.450 11.483 9.040 68 HG2 MET 9 HG2 MET 9 12.644 10.157 10.836 69 HG3 MET 9 HG3 MET 9 11.628 11.593 10.727 70 HE1 MET 9 HE1 MET 9 10.878 7.282 10.160 71 HE2 MET 9 HE2 MET 9 12.110 8.193 11.032 72 HE3 MET 9 HE3 MET 9 10.534 7.909 11.772 73 H GLN 10 H GLN 10 10.994 13.303 10.033 74 HA GLN 10 HA GLN 10 12.103 15.777 8.903 75 HB2 GLN 10 HB2 GLN 10 10.235 15.511 11.260 76 HB3 GLN 10 HB3 GLN 10 10.654 16.982 10.392 77 HG2 GLN 10 HG2 GLN 10 9.259 14.682 9.065 78 HG3 GLN 10 HG3 GLN 10 8.387 15.958 9.912 79 HE21 GLN 10 HE21 GLN 10 10.036 15.050 7.063 80 HE22 GLN 10 HE22 GLN 10 9.841 16.535 6.202 81 H GLY 11 H GLY 11 14.123 16.162 9.539 82 HA2 GLY 11 HA2 GLY 11 14.758 15.773 12.397 83 HA3 GLY 11 HA3 GLY 11 15.883 15.287 11.138 84 H GLU 12 H GLU 12 17.052 16.857 12.788 85 HA GLU 12 HA GLU 12 17.008 19.518 11.528 86 HB2 GLU 12 HB2 GLU 12 16.093 19.947 13.643 87 HB3 GLU 12 HB3 GLU 12 17.158 18.797 14.439 88 HG2 GLU 12 HG2 GLU 12 19.042 20.266 14.146 89 HG3 GLU 12 HG3 GLU 12 18.060 21.391 13.209 90 H VAL 13 H VAL 13 18.952 20.394 10.999 91 HA VAL 13 HA VAL 13 21.169 18.722 10.645 92 HB VAL 13 HB VAL 13 21.020 21.738 10.645 93 HG11 VAL 13 HG11 VAL 13 23.239 19.889 9.791 94 HG12 VAL 13 HG12 VAL 13 23.141 21.588 9.325 95 HG13 VAL 13 HG13 VAL 13 23.301 21.147 11.025 96 HG21 VAL 13 HG21 VAL 13 20.991 21.490 8.212 97 HG22 VAL 13 HG22 VAL 13 21.016 19.736 8.387 98 HG23 VAL 13 HG23 VAL 13 19.625 20.658 8.955 99 H ILE 14 H ILE 14 22.971 18.320 11.812 100 HA ILE 14 HA ILE 14 23.127 19.551 14.483 101 HB ILE 14 HB ILE 14 22.749 17.165 14.620 102 HG12 ILE 14 HG12 ILE 14 24.715 16.517 15.952 103 HG13 ILE 14 HG13 ILE 14 25.628 17.851 15.257 104 HG21 ILE 14 HG21 ILE 14 23.574 15.724 13.148 105 HG22 ILE 14 HG22 ILE 14 24.374 17.067 12.333 106 HG23 ILE 14 HG23 ILE 14 25.225 16.162 13.585 107 HD11 ILE 14 HD11 ILE 14 24.411 19.448 16.424 108 HD12 ILE 14 HD12 ILE 14 23.085 18.332 16.756 109 HD13 ILE 14 HD13 ILE 14 24.627 18.143 17.590 110 H GLU 15 H GLU 15 24.882 18.793 11.562 111 HA GLU 15 HA GLU 15 26.941 20.687 12.287 112 HB2 GLU 15 HB2 GLU 15 27.551 18.292 13.148 113 HB3 GLU 15 HB3 GLU 15 27.916 17.979 11.457 114 HG2 GLU 15 HG2 GLU 15 29.929 18.595 12.594 115 HG3 GLU 15 HG3 GLU 15 29.484 19.882 11.476 116 H ASN 16 H ASN 16 28.231 21.349 10.501 117 HA ASN 16 HA ASN 16 27.127 20.550 7.887 118 HB2 ASN 16 HB2 ASN 16 27.734 22.884 7.143 119 HB3 ASN 16 HB3 ASN 16 26.424 22.795 8.316 120 HD21 ASN 16 HD21 ASN 16 26.938 23.247 10.546 121 HD22 ASN 16 HD22 ASN 16 28.219 24.345 10.917 122 H LEU 17 H LEU 17 28.554 19.421 6.757 123 HA LEU 17 HA LEU 17 31.404 20.140 6.973 124 HB2 LEU 17 HB2 LEU 17 32.032 17.920 6.847 125 HB3 LEU 17 HB3 LEU 17 30.600 17.867 7.874 126 HG LEU 17 HG LEU 17 29.678 17.482 5.252 127 HD11 LEU 17 HD11 LEU 17 32.071 17.008 4.696 128 HD12 LEU 17 HD12 LEU 17 30.962 15.671 4.391 129 HD13 LEU 17 HD13 LEU 17 31.999 15.649 5.818 130 HD21 LEU 17 HD21 LEU 17 29.235 15.172 6.127 131 HD22 LEU 17 HD22 LEU 17 28.638 16.484 7.144 132 HD23 LEU 17 HD23 LEU 17 30.117 15.628 7.584 133 HA PRO 18 HA PRO 18 31.515 20.870 2.647 134 HB2 PRO 18 HB2 PRO 18 34.012 20.013 2.016 135 HB3 PRO 18 HB3 PRO 18 33.707 21.500 2.923 136 HG2 PRO 18 HG2 PRO 18 34.494 18.793 3.932 137 HG3 PRO 18 HG3 PRO 18 35.094 20.387 4.422 138 HD2 PRO 18 HD2 PRO 18 33.255 19.017 5.862 139 HD3 PRO 18 HD3 PRO 18 33.279 20.791 5.785 140 H ASN 19 H ASN 19 32.734 19.564 0.621 141 HA ASN 19 HA ASN 19 32.570 17.815 -0.827 142 HB2 ASN 19 HB2 ASN 19 31.927 16.036 1.523 143 HB3 ASN 19 HB3 ASN 19 32.685 15.590 -0.003 144 HD21 ASN 19 HD21 ASN 19 33.369 15.736 3.058 145 HD22 ASN 19 HD22 ASN 19 35.005 16.290 3.034 146 H ALA 20 H ALA 20 30.244 19.412 0.014 147 HA ALA 20 HA ALA 20 27.991 19.508 -0.304 148 HB1 ALA 20 HB1 ALA 20 27.744 17.137 -1.969 149 HB2 ALA 20 HB2 ALA 20 27.434 18.831 -2.355 150 HB3 ALA 20 HB3 ALA 20 29.072 18.187 -2.466 151 H THR 21 H THR 21 29.032 17.862 1.894 152 HA THR 21 HA THR 21 26.850 15.901 2.154 153 HB THR 21 HB THR 21 28.921 15.729 4.197 154 HG1 THR 21 HG1 THR 21 29.636 15.467 1.453 155 HG21 THR 21 HG21 THR 21 27.543 13.894 2.269 156 HG22 THR 21 HG22 THR 21 27.506 13.891 4.032 157 HG23 THR 21 HG23 THR 21 28.948 13.341 3.179 158 H PHE 22 H PHE 22 25.867 15.674 4.278 159 HA PHE 22 HA PHE 22 26.197 17.831 6.174 160 HB2 PHE 22 HB2 PHE 22 23.901 17.693 4.295 161 HB3 PHE 22 HB3 PHE 22 23.533 18.086 5.971 162 HD1 PHE 22 HD2 PHE 22 24.659 20.068 7.026 163 HD2 PHE 22 HD1 PHE 22 24.815 19.289 2.844 164 HE1 PHE 22 HE2 PHE 22 25.300 22.408 6.617 165 HE2 PHE 22 HE1 PHE 22 25.456 21.628 2.429 166 HZ PHE 22 HZ PHE 22 25.698 23.191 4.316 167 H ARG 23 H ARG 23 25.056 17.471 8.162 168 HA ARG 23 HA ARG 23 24.129 14.693 8.488 169 HB2 ARG 23 HB2 ARG 23 26.094 16.285 10.029 170 HB3 ARG 23 HB3 ARG 23 24.988 15.297 10.972 171 HG2 ARG 23 HG2 ARG 23 25.695 13.406 9.342 172 HG3 ARG 23 HG3 ARG 23 27.076 14.454 9.015 173 HD2 ARG 23 HD2 ARG 23 27.092 14.528 11.692 174 HD3 ARG 23 HD3 ARG 23 26.368 12.938 11.455 175 HE ARG 23 HE ARG 23 28.398 12.162 10.742 176 HH11 ARG 23 HH11 ARG 23 28.425 15.643 10.679 177 HH12 ARG 23 HH12 ARG 23 30.118 15.753 10.327 178 HH21 ARG 23 HH21 ARG 23 30.628 12.295 10.278 179 HH22 ARG 23 HH22 ARG 23 31.370 13.848 10.098 180 H VAL 24 H VAL 24 22.190 14.411 9.407 181 HA VAL 24 HA VAL 24 20.994 16.637 10.906 182 HB VAL 24 HB VAL 24 19.622 15.071 8.717 183 HG11 VAL 24 HG11 VAL 24 18.573 16.546 11.008 184 HG12 VAL 24 HG12 VAL 24 17.916 17.083 9.460 185 HG13 VAL 24 HG13 VAL 24 17.776 15.391 9.941 186 HG21 VAL 24 HG21 VAL 24 19.897 18.048 8.838 187 HG22 VAL 24 HG22 VAL 24 21.208 17.056 8.201 188 HG23 VAL 24 HG23 VAL 24 19.617 17.008 7.442 189 H LYS 25 H LYS 25 19.805 16.058 12.655 190 HA LYS 25 HA LYS 25 19.878 13.247 13.413 191 HB2 LYS 25 HB2 LYS 25 18.844 15.528 15.089 192 HB3 LYS 25 HB3 LYS 25 19.446 13.967 15.632 193 HG2 LYS 25 HG2 LYS 25 21.625 14.927 14.350 194 HG3 LYS 25 HG3 LYS 25 20.900 16.422 14.946 195 HD2 LYS 25 HD2 LYS 25 21.163 14.095 16.795 196 HD3 LYS 25 HD3 LYS 25 22.591 15.065 16.427 197 HE2 LYS 25 HE2 LYS 25 21.077 17.080 17.006 198 HE3 LYS 25 HE3 LYS 25 20.050 15.880 17.790 199 HZ1 LYS 25 HZ1 LYS 25 22.621 16.923 18.604 200 HZ2 LYS 25 HZ2 LYS 25 22.464 15.247 18.762 201 HZ3 LYS 25 HZ3 LYS 25 21.369 16.275 19.539 202 H LEU 26 H LEU 26 18.174 11.930 13.359 203 HA LEU 26 HA LEU 26 15.654 12.903 12.362 204 HB2 LEU 26 HB2 LEU 26 16.187 10.122 13.350 205 HB3 LEU 26 HB3 LEU 26 15.028 10.652 12.132 206 HG LEU 26 HG LEU 26 18.013 10.379 11.856 207 HD11 LEU 26 HD11 LEU 26 17.577 8.507 10.732 208 HD12 LEU 26 HD12 LEU 26 16.276 9.264 9.813 209 HD13 LEU 26 HD13 LEU 26 15.953 8.601 11.415 210 HD21 LEU 26 HD21 LEU 26 17.077 11.092 9.385 211 HD22 LEU 26 HD22 LEU 26 17.930 12.157 10.503 212 HD23 LEU 26 HD23 LEU 26 16.167 12.157 10.457 213 H GLU 27 H GLU 27 14.124 10.825 13.823 214 HA GLU 27 HA GLU 27 13.447 12.460 16.121 215 HB2 GLU 27 HB2 GLU 27 11.486 11.039 16.321 216 HB3 GLU 27 HB3 GLU 27 11.671 11.578 14.658 217 HG2 GLU 27 HG2 GLU 27 12.858 9.345 14.266 218 HG3 GLU 27 HG3 GLU 27 12.164 8.861 15.812 219 H ASN 28 H ASN 28 14.778 9.282 15.428 220 HA ASN 28 HA ASN 28 14.656 8.216 18.025 221 HB2 ASN 28 HB2 ASN 28 16.304 7.640 15.592 222 HB3 ASN 28 HB3 ASN 28 16.730 6.874 17.120 223 HD21 ASN 28 HD21 ASN 28 15.049 5.633 18.198 224 HD22 ASN 28 HD22 ASN 28 13.876 4.804 17.237 225 H GLY 29 H GLY 29 16.569 10.715 16.728 226 HA2 GLY 29 HA2 GLY 29 17.809 12.146 18.199 227 HA3 GLY 29 HA3 GLY 29 18.171 10.745 19.196 228 H HIS 30 H HIS 30 18.770 9.182 16.686 229 HA HIS 30 HA HIS 30 21.571 9.678 16.654 230 HB2 HIS 30 HB2 HIS 30 21.660 7.890 14.972 231 HB3 HIS 30 HB3 HIS 30 20.659 7.425 16.345 232 HD1 HIS 30 HD1 HIS 30 20.176 5.862 13.877 233 HD2 HIS 30 HD2 HIS 30 18.243 9.468 14.599 234 HE1 HIS 30 HE1 HIS 30 18.101 5.808 12.458 235 H VAL 31 H VAL 31 22.869 10.224 14.804 236 HA VAL 31 HA VAL 31 21.556 12.225 13.109 237 HB VAL 31 HB VAL 31 23.739 13.157 12.702 238 HG11 VAL 31 HG11 VAL 31 24.306 12.922 15.479 239 HG12 VAL 31 HG12 VAL 31 23.541 14.259 14.618 240 HG13 VAL 31 HG13 VAL 31 22.556 12.948 15.267 241 HG21 VAL 31 HG21 VAL 31 25.128 11.253 12.508 242 HG22 VAL 31 HG22 VAL 31 25.734 12.155 13.897 243 HG23 VAL 31 HG23 VAL 31 24.746 10.715 14.143 244 H VAL 32 H VAL 32 21.580 12.132 10.911 245 HA VAL 32 HA VAL 32 22.637 9.653 9.723 246 HB VAL 32 HB VAL 32 20.981 9.907 7.957 247 HG11 VAL 32 HG11 VAL 32 18.995 9.412 9.232 248 HG12 VAL 32 HG12 VAL 32 20.395 8.699 10.037 249 HG13 VAL 32 HG13 VAL 32 19.678 10.185 10.662 250 HG21 VAL 32 HG21 VAL 32 20.825 12.582 8.977 251 HG22 VAL 32 HG22 VAL 32 20.162 11.919 7.483 252 HG23 VAL 32 HG23 VAL 32 19.221 11.847 8.973 253 H LEU 33 H LEU 33 23.914 9.731 7.918 254 HA LEU 33 HA LEU 33 24.930 12.387 7.189 255 HB2 LEU 33 HB2 LEU 33 26.170 9.707 6.604 256 HB3 LEU 33 HB3 LEU 33 26.920 11.292 6.428 257 HG LEU 33 HG LEU 33 26.475 11.410 9.028 258 HD11 LEU 33 HD11 LEU 33 27.200 8.661 9.296 259 HD12 LEU 33 HD12 LEU 33 25.666 8.779 8.435 260 HD13 LEU 33 HD13 LEU 33 25.847 9.532 10.019 261 HD21 LEU 33 HD21 LEU 33 28.708 9.841 7.742 262 HD22 LEU 33 HD22 LEU 33 28.736 10.499 9.379 263 HD23 LEU 33 HD23 LEU 33 28.657 11.586 7.992 264 H GLY 34 H GLY 34 24.352 13.234 5.305 265 HA2 GLY 34 HA2 GLY 34 23.946 11.485 2.998 266 HA3 GLY 34 HA3 GLY 34 22.585 12.478 3.498 267 H HIS 35 H HIS 35 22.725 13.419 1.360 268 HA HIS 35 HA HIS 35 24.343 15.804 1.378 269 HB2 HIS 35 HB2 HIS 35 25.280 15.336 -0.920 270 HB3 HIS 35 HB3 HIS 35 25.978 14.377 0.382 271 HD1 HIS 35 HD1 HIS 35 23.902 14.100 -2.701 272 HD2 HIS 35 HD2 HIS 35 25.389 11.628 0.289 273 HE1 HIS 35 HE1 HIS 35 23.563 11.753 -3.538 274 H ILE 36 H ILE 36 23.576 17.404 -0.014 275 HA ILE 36 HA ILE 36 20.850 16.969 -0.931 276 HB ILE 36 HB ILE 36 21.277 18.973 0.374 277 HG12 ILE 36 HG12 ILE 36 20.360 20.661 -1.207 278 HG13 ILE 36 HG13 ILE 36 20.707 19.564 -2.539 279 HG21 ILE 36 HG21 ILE 36 22.674 20.665 -1.355 280 HG22 ILE 36 HG22 ILE 36 23.237 19.998 0.177 281 HG23 ILE 36 HG23 ILE 36 23.587 19.156 -1.332 282 HD11 ILE 36 HD11 ILE 36 19.131 18.311 -0.452 283 HD12 ILE 36 HD12 ILE 36 18.350 19.734 -1.143 284 HD13 ILE 36 HD13 ILE 36 18.847 18.405 -2.190 285 H SER 37 H SER 37 20.144 17.194 -3.026 286 HA SER 37 HA SER 37 22.072 17.831 -5.117 287 HB2 SER 37 HB2 SER 37 21.419 15.154 -4.462 288 HB3 SER 37 HB3 SER 37 20.602 15.521 -5.981 289 HG SER 37 HG SER 37 23.229 15.107 -5.508 290 H GLY 38 H GLY 38 21.067 18.189 -7.212 291 HA2 GLY 38 HA2 GLY 38 18.789 18.168 -8.338 292 HA3 GLY 38 HA3 GLY 38 18.256 19.035 -6.905 293 H LYS 39 H LYS 39 17.576 20.544 -8.697 294 HA LYS 39 HA LYS 39 19.738 22.149 -9.804 295 HB2 LYS 39 HB2 LYS 39 16.744 22.418 -10.134 296 HB3 LYS 39 HB3 LYS 39 17.961 23.320 -11.027 297 HG2 LYS 39 HG2 LYS 39 18.809 21.117 -11.889 298 HG3 LYS 39 HG3 LYS 39 17.377 20.375 -11.172 299 HD2 LYS 39 HD2 LYS 39 16.068 22.154 -12.511 300 HD3 LYS 39 HD3 LYS 39 17.559 22.331 -13.438 301 HE2 LYS 39 HE2 LYS 39 16.057 20.753 -14.519 302 HE3 LYS 39 HE3 LYS 39 17.514 19.937 -13.955 303 HZ1 LYS 39 HZ1 LYS 39 16.366 18.724 -12.471 304 HZ2 LYS 39 HZ2 LYS 39 15.054 19.045 -13.489 305 HZ3 LYS 39 HZ3 LYS 39 15.288 19.972 -12.093 306 H MET 40 H MET 40 17.550 22.181 -7.161 307 HA MET 40 HA MET 40 17.692 25.041 -6.744 308 HB2 MET 40 HB2 MET 40 15.704 23.559 -6.148 309 HB3 MET 40 HB3 MET 40 16.665 22.984 -4.794 310 HG2 MET 40 HG2 MET 40 15.281 24.672 -3.935 311 HG3 MET 40 HG3 MET 40 16.885 25.388 -4.080 312 HE1 MET 40 HE1 MET 40 16.533 28.391 -5.835 313 HE2 MET 40 HE2 MET 40 17.540 27.123 -5.135 314 HE3 MET 40 HE3 MET 40 17.221 27.140 -6.871 315 H ARG 41 H ARG 41 19.506 22.267 -5.889 316 HA ARG 41 HA ARG 41 20.675 23.374 -3.502 317 HB2 ARG 41 HB2 ARG 41 21.964 21.390 -3.387 318 HB3 ARG 41 HB3 ARG 41 20.384 20.903 -3.987 319 HG2 ARG 41 HG2 ARG 41 21.609 19.770 -5.490 320 HG3 ARG 41 HG3 ARG 41 21.652 21.328 -6.318 321 HD2 ARG 41 HD2 ARG 41 23.833 21.698 -5.800 322 HD3 ARG 41 HD3 ARG 41 23.724 20.845 -4.261 323 HE ARG 41 HE ARG 41 23.471 18.978 -6.332 324 HH11 ARG 41 HH11 ARG 41 25.851 21.112 -4.953 325 HH12 ARG 41 HH12 ARG 41 27.196 20.117 -5.404 326 HH21 ARG 41 HH21 ARG 41 25.233 17.659 -6.931 327 HH22 ARG 41 HH22 ARG 41 26.843 18.153 -6.530 328 H MET 42 H MET 42 21.270 23.543 -6.883 329 HA MET 42 HA MET 42 24.037 24.375 -6.561 330 HB2 MET 42 HB2 MET 42 22.277 24.118 -9.003 331 HB3 MET 42 HB3 MET 42 23.957 24.636 -9.050 332 HG2 MET 42 HG2 MET 42 24.761 22.549 -8.567 333 HG3 MET 42 HG3 MET 42 23.290 22.056 -7.731 334 HE1 MET 42 HE1 MET 42 24.954 20.414 -9.402 335 HE2 MET 42 HE2 MET 42 23.506 19.445 -9.676 336 HE3 MET 42 HE3 MET 42 24.445 20.035 -11.048 337 H HIS 43 H HIS 43 21.346 25.863 -5.819 338 HA HIS 43 HA HIS 43 21.869 28.393 -7.187 339 HB2 HIS 43 HB2 HIS 43 19.519 27.303 -6.745 340 HB3 HIS 43 HB3 HIS 43 19.699 28.036 -5.154 341 HD1 HIS 43 HD1 HIS 43 19.561 29.008 -8.808 342 HD2 HIS 43 HD2 HIS 43 19.118 30.708 -5.043 343 HE1 HIS 43 HE1 HIS 43 18.713 31.339 -9.219 344 H TYR 44 H TYR 44 23.630 27.204 -5.085 345 HA TYR 44 HA TYR 44 24.796 27.833 -3.232 346 HB2 TYR 44 HB2 TYR 44 23.963 30.645 -3.938 347 HB3 TYR 44 HB3 TYR 44 25.435 30.127 -3.124 348 HD1 TYR 44 HD2 TYR 44 26.929 28.455 -4.550 349 HD2 TYR 44 HD1 TYR 44 24.092 31.174 -6.181 350 HE1 TYR 44 HE2 TYR 44 28.102 28.373 -6.711 351 HE2 TYR 44 HE1 TYR 44 25.256 31.099 -8.347 352 HH TYR 44 HH TYR 44 27.822 30.534 -9.038 353 H ILE 45 H ILE 45 22.441 26.887 -2.454 354 HA ILE 45 HA ILE 45 20.820 28.667 -0.960 355 HB ILE 45 HB ILE 45 19.982 26.589 0.167 356 HG12 ILE 45 HG12 ILE 45 21.522 24.968 -1.809 357 HG13 ILE 45 HG13 ILE 45 22.344 25.481 -0.340 358 HG21 ILE 45 HG21 ILE 45 19.907 27.208 -2.694 359 HG22 ILE 45 HG22 ILE 45 19.429 25.560 -2.293 360 HG23 ILE 45 HG23 ILE 45 18.589 26.925 -1.558 361 HD11 ILE 45 HD11 ILE 45 19.784 23.905 -0.452 362 HD12 ILE 45 HD12 ILE 45 21.388 23.253 -0.118 363 HD13 ILE 45 HD13 ILE 45 20.646 24.389 1.008 364 H ARG 46 H ARG 46 20.801 29.179 1.198 365 HA ARG 46 HA ARG 46 23.334 28.907 2.578 366 HB2 ARG 46 HB2 ARG 46 20.828 30.488 3.054 367 HB3 ARG 46 HB3 ARG 46 22.023 30.311 4.332 368 HG2 ARG 46 HG2 ARG 46 23.643 31.089 2.365 369 HG3 ARG 46 HG3 ARG 46 22.149 31.849 1.813 370 HD2 ARG 46 HD2 ARG 46 23.125 33.485 3.148 371 HD3 ARG 46 HD3 ARG 46 21.954 32.724 4.224 372 HE ARG 46 HE ARG 46 24.452 31.451 4.492 373 HH11 ARG 46 HH11 ARG 46 22.843 34.444 5.251 374 HH12 ARG 46 HH12 ARG 46 23.823 34.770 6.642 375 HH21 ARG 46 HH21 ARG 46 25.750 31.869 6.321 376 HH22 ARG 46 HH22 ARG 46 25.477 33.305 7.249 377 H ILE 47 H ILE 47 23.732 27.704 4.362 378 HA ILE 47 HA ILE 47 21.494 26.263 5.602 379 HB ILE 47 HB ILE 47 24.096 24.981 4.760 380 HG12 ILE 47 HG12 ILE 47 21.314 24.282 3.828 381 HG13 ILE 47 HG13 ILE 47 22.319 25.453 2.980 382 HG21 ILE 47 HG21 ILE 47 22.535 22.928 5.491 383 HG22 ILE 47 HG22 ILE 47 23.650 23.736 6.593 384 HG23 ILE 47 HG23 ILE 47 21.938 24.162 6.601 385 HD11 ILE 47 HD11 ILE 47 22.581 23.398 1.862 386 HD12 ILE 47 HD12 ILE 47 24.058 23.642 2.796 387 HD13 ILE 47 HD13 ILE 47 22.824 22.522 3.373 388 H LEU 48 H LEU 48 21.715 25.830 7.777 389 HA LEU 48 HA LEU 48 24.219 26.483 9.112 390 HB2 LEU 48 HB2 LEU 48 21.671 28.008 9.409 391 HB3 LEU 48 HB3 LEU 48 22.735 27.819 10.801 392 HG LEU 48 HG LEU 48 23.545 29.067 8.175 393 HD11 LEU 48 HD11 LEU 48 23.626 31.053 10.017 394 HD12 LEU 48 HD12 LEU 48 22.207 30.153 10.550 395 HD13 LEU 48 HD13 LEU 48 22.288 30.776 8.902 396 HD21 LEU 48 HD21 LEU 48 25.497 29.829 9.447 397 HD22 LEU 48 HD22 LEU 48 25.404 28.068 9.385 398 HD23 LEU 48 HD23 LEU 48 24.929 28.927 10.852 399 HA PRO 49 HA PRO 49 23.103 23.244 11.852 400 HB2 PRO 49 HB2 PRO 49 24.118 24.114 14.215 401 HB3 PRO 49 HB3 PRO 49 25.133 23.549 12.883 402 HG2 PRO 49 HG2 PRO 49 24.452 26.350 13.688 403 HG3 PRO 49 HG3 PRO 49 26.015 25.679 13.189 404 HD2 PRO 49 HD2 PRO 49 24.439 27.104 11.511 405 HD3 PRO 49 HD3 PRO 49 25.488 25.786 10.948 406 H GLY 50 H GLY 50 21.326 22.640 12.949 407 HA2 GLY 50 HA2 GLY 50 19.727 22.883 14.706 408 HA3 GLY 50 HA3 GLY 50 19.946 24.624 14.621 409 H ASP 51 H ASP 51 19.805 24.379 11.596 410 HA ASP 51 HA ASP 51 17.097 25.057 11.305 411 HB2 ASP 51 HB2 ASP 51 19.193 25.501 9.768 412 HB3 ASP 51 HB3 ASP 51 18.663 24.019 8.976 413 H LYS 52 H LYS 52 15.307 23.915 10.839 414 HA LYS 52 HA LYS 52 15.442 21.040 11.024 415 HB2 LYS 52 HB2 LYS 52 13.258 23.078 10.974 416 HB3 LYS 52 HB3 LYS 52 12.860 21.408 10.594 417 HG2 LYS 52 HG2 LYS 52 12.456 21.526 12.862 418 HG3 LYS 52 HG3 LYS 52 14.089 20.858 12.799 419 HD2 LYS 52 HD2 LYS 52 14.185 22.533 14.443 420 HD3 LYS 52 HD3 LYS 52 14.900 23.269 13.008 421 HE2 LYS 52 HE2 LYS 52 13.479 24.932 13.750 422 HE3 LYS 52 HE3 LYS 52 12.485 24.106 12.551 423 HZ1 LYS 52 HZ1 LYS 52 12.046 24.417 15.345 424 HZ2 LYS 52 HZ2 LYS 52 12.015 22.783 14.909 425 HZ3 LYS 52 HZ3 LYS 52 10.979 23.882 14.146 426 H VAL 53 H VAL 53 15.537 19.667 9.376 427 HA VAL 53 HA VAL 53 14.449 20.461 6.773 428 HB VAL 53 HB VAL 53 16.392 19.672 5.569 429 HG11 VAL 53 HG11 VAL 53 17.571 21.590 5.779 430 HG12 VAL 53 HG12 VAL 53 16.230 22.034 6.837 431 HG13 VAL 53 HG13 VAL 53 17.735 21.426 7.527 432 HG21 VAL 53 HG21 VAL 53 17.139 17.934 7.077 433 HG22 VAL 53 HG22 VAL 53 18.464 19.054 6.762 434 HG23 VAL 53 HG23 VAL 53 17.585 19.135 8.288 435 H THR 54 H THR 54 14.276 18.590 5.270 436 HA THR 54 HA THR 54 13.467 16.208 6.775 437 HB THR 54 HB THR 54 12.799 16.968 3.925 438 HG1 THR 54 HG1 THR 54 11.380 18.219 4.862 439 HG21 THR 54 HG21 THR 54 11.501 14.884 5.677 440 HG22 THR 54 HG22 THR 54 12.767 14.517 4.504 441 HG23 THR 54 HG23 THR 54 11.225 15.177 3.960 442 H VAL 55 H VAL 55 14.272 14.196 6.365 443 HA VAL 55 HA VAL 55 16.219 13.881 4.197 444 HB VAL 55 HB VAL 55 17.656 12.547 5.846 445 HG11 VAL 55 HG11 VAL 55 18.015 15.245 6.792 446 HG12 VAL 55 HG12 VAL 55 19.023 14.295 5.699 447 HG13 VAL 55 HG13 VAL 55 17.666 15.226 5.064 448 HG21 VAL 55 HG21 VAL 55 16.545 14.324 7.962 449 HG22 VAL 55 HG22 VAL 55 15.711 12.814 7.596 450 HG23 VAL 55 HG23 VAL 55 17.397 12.787 8.113 451 H GLU 56 H GLU 56 16.174 11.922 3.229 452 HA GLU 56 HA GLU 56 14.211 9.996 4.247 453 HB2 GLU 56 HB2 GLU 56 14.764 11.006 1.670 454 HB3 GLU 56 HB3 GLU 56 15.245 9.316 1.652 455 HG2 GLU 56 HG2 GLU 56 12.968 8.808 2.644 456 HG3 GLU 56 HG3 GLU 56 12.542 10.471 2.244 457 H LEU 57 H LEU 57 14.970 8.338 5.368 458 HA LEU 57 HA LEU 57 17.612 7.246 4.654 459 HB2 LEU 57 HB2 LEU 57 17.552 8.374 6.853 460 HB3 LEU 57 HB3 LEU 57 16.299 7.246 7.368 461 HG LEU 57 HG LEU 57 17.953 5.393 7.025 462 HD11 LEU 57 HD11 LEU 57 20.055 7.529 7.018 463 HD12 LEU 57 HD12 LEU 57 19.401 6.879 5.515 464 HD13 LEU 57 HD13 LEU 57 20.214 5.810 6.657 465 HD21 LEU 57 HD21 LEU 57 18.111 7.518 9.077 466 HD22 LEU 57 HD22 LEU 57 19.430 6.347 9.037 467 HD23 LEU 57 HD23 LEU 57 17.767 5.797 9.247 468 H THR 58 H THR 58 17.889 4.977 4.815 469 HA THR 58 HA THR 58 15.378 3.494 4.472 470 HB THR 58 HB THR 58 17.212 1.704 3.686 471 HG1 THR 58 HG1 THR 58 18.744 3.109 2.404 472 HG21 THR 58 HG21 THR 58 16.975 3.139 1.379 473 HG22 THR 58 HG22 THR 58 15.634 3.775 2.332 474 HG23 THR 58 HG23 THR 58 15.746 2.045 2.012 475 HA PRO 59 HA PRO 59 15.892 1.109 8.120 476 HB2 PRO 59 HB2 PRO 59 15.077 -1.353 7.317 477 HB3 PRO 59 HB3 PRO 59 13.963 0.000 7.548 478 HG2 PRO 59 HG2 PRO 59 15.164 -1.053 5.017 479 HG3 PRO 59 HG3 PRO 59 13.498 -0.534 5.333 480 HD2 PRO 59 HD2 PRO 59 15.300 1.041 4.065 481 HD3 PRO 59 HD3 PRO 59 14.018 1.700 5.102 482 H TYR 60 H TYR 60 17.061 -0.682 5.263 483 HA TYR 60 HA TYR 60 18.884 -2.292 6.708 484 HB2 TYR 60 HB2 TYR 60 17.894 -2.536 4.280 485 HB3 TYR 60 HB3 TYR 60 19.334 -1.632 3.824 486 HD1 TYR 60 HD1 TYR 60 18.701 -4.381 6.283 487 HD2 TYR 60 HD2 TYR 60 20.906 -3.040 2.900 488 HE1 TYR 60 HE1 TYR 60 20.011 -6.462 6.320 489 HE2 TYR 60 HE2 TYR 60 22.222 -5.118 2.927 490 HH TYR 60 HH TYR 60 22.295 -7.213 5.521 491 H ASP 61 H ASP 61 19.254 0.727 4.898 492 HA ASP 61 HA ASP 61 22.010 0.939 5.905 493 HB2 ASP 61 HB2 ASP 61 20.885 2.710 3.760 494 HB3 ASP 61 HB3 ASP 61 22.560 2.248 4.053 495 H LEU 62 H LEU 62 21.432 1.700 7.970 496 HA LEU 62 HA LEU 62 19.926 4.182 8.159 497 HB2 LEU 62 HB2 LEU 62 19.835 2.113 9.752 498 HB3 LEU 62 HB3 LEU 62 21.258 2.857 10.481 499 HG LEU 62 HG LEU 62 19.577 4.963 10.483 500 HD11 LEU 62 HD11 LEU 62 17.359 4.284 11.074 501 HD12 LEU 62 HD12 LEU 62 17.802 2.580 10.981 502 HD13 LEU 62 HD13 LEU 62 17.763 3.561 9.516 503 HD21 LEU 62 HD21 LEU 62 20.143 2.803 12.460 504 HD22 LEU 62 HD22 LEU 62 18.969 4.056 12.863 505 HD23 LEU 62 HD23 LEU 62 20.631 4.498 12.470 506 H SER 63 H SER 63 22.870 3.665 7.172 507 HA SER 63 HA SER 63 24.046 5.890 8.708 508 HB2 SER 63 HB2 SER 63 25.214 3.715 9.046 509 HB3 SER 63 HB3 SER 63 25.542 3.656 7.314 510 HG SER 63 HG SER 63 27.319 4.593 8.112 511 H ARG 64 H ARG 64 22.363 5.909 6.261 512 HA ARG 64 HA ARG 64 23.835 7.845 4.799 513 HB2 ARG 64 HB2 ARG 64 23.907 6.642 2.631 514 HB3 ARG 64 HB3 ARG 64 24.966 5.936 3.845 515 HG2 ARG 64 HG2 ARG 64 23.128 4.273 4.308 516 HG3 ARG 64 HG3 ARG 64 22.327 4.892 2.863 517 HD2 ARG 64 HD2 ARG 64 24.715 4.451 1.805 518 HD3 ARG 64 HD3 ARG 64 24.816 3.289 3.127 519 HE ARG 64 HE ARG 64 23.403 1.945 1.954 520 HH11 ARG 64 HH11 ARG 64 22.964 5.221 0.859 521 HH12 ARG 64 HH12 ARG 64 21.837 4.792 -0.385 522 HH21 ARG 64 HH21 ARG 64 21.920 1.368 0.319 523 HH22 ARG 64 HH22 ARG 64 21.243 2.601 -0.691 524 H ALA 65 H ALA 65 22.301 9.270 4.354 525 HA ALA 65 HA ALA 65 19.752 8.312 3.250 526 HB1 ALA 65 HB1 ALA 65 20.171 9.841 5.726 527 HB2 ALA 65 HB2 ALA 65 18.908 10.458 4.661 528 HB3 ALA 65 HB3 ALA 65 18.834 8.796 5.246 529 H ARG 66 H ARG 66 18.468 10.202 2.318 530 HA ARG 66 HA ARG 66 20.327 11.869 0.779 531 HB2 ARG 66 HB2 ARG 66 18.600 12.064 -0.877 532 HB3 ARG 66 HB3 ARG 66 18.747 10.366 -0.441 533 HG2 ARG 66 HG2 ARG 66 16.826 11.077 1.273 534 HG3 ARG 66 HG3 ARG 66 16.519 12.253 -0.007 535 HD2 ARG 66 HD2 ARG 66 16.637 9.254 -0.299 536 HD3 ARG 66 HD3 ARG 66 15.194 10.263 -0.378 537 HE ARG 66 HE ARG 66 17.040 9.759 -2.483 538 HH11 ARG 66 HH11 ARG 66 14.918 12.179 -1.158 539 HH12 ARG 66 HH12 ARG 66 14.673 12.981 -2.674 540 HH21 ARG 66 HH21 ARG 66 16.726 10.806 -4.485 541 HH22 ARG 66 HH22 ARG 66 15.701 12.199 -4.566 542 H ILE 67 H ILE 67 20.358 14.025 0.968 543 HA ILE 67 HA ILE 67 18.854 15.276 3.059 544 HB ILE 67 HB ILE 67 20.750 16.417 1.008 545 HG12 ILE 67 HG12 ILE 67 21.668 14.886 2.777 546 HG13 ILE 67 HG13 ILE 67 22.336 16.514 2.807 547 HG21 ILE 67 HG21 ILE 67 20.746 18.429 2.528 548 HG22 ILE 67 HG22 ILE 67 19.288 18.193 1.567 549 HG23 ILE 67 HG23 ILE 67 19.298 17.757 3.276 550 HD11 ILE 67 HD11 ILE 67 19.993 16.146 4.515 551 HD12 ILE 67 HD12 ILE 67 21.394 15.174 4.967 552 HD13 ILE 67 HD13 ILE 67 21.537 16.928 4.850 553 H VAL 68 H VAL 68 17.017 16.405 2.934 554 HA VAL 68 HA VAL 68 15.981 17.073 0.255 555 HB VAL 68 HB VAL 68 14.172 16.558 2.591 556 HG11 VAL 68 HG11 VAL 68 12.687 15.828 0.646 557 HG12 VAL 68 HG12 VAL 68 13.041 17.550 0.792 558 HG13 VAL 68 HG13 VAL 68 13.898 16.571 -0.399 559 HG21 VAL 68 HG21 VAL 68 13.990 14.227 1.289 560 HG22 VAL 68 HG22 VAL 68 15.699 14.571 1.018 561 HG23 VAL 68 HG23 VAL 68 15.068 14.476 2.662 562 H PHE 69 H PHE 69 14.402 18.876 0.247 563 HA PHE 69 HA PHE 69 15.449 21.221 1.218 564 HB2 PHE 69 HB2 PHE 69 12.511 20.714 0.715 565 HB3 PHE 69 HB3 PHE 69 13.330 22.271 0.673 566 HD1 PHE 69 HD1 PHE 69 15.725 21.724 -0.867 567 HD2 PHE 69 HD2 PHE 69 11.753 20.298 -1.421 568 HE1 PHE 69 HE1 PHE 69 16.171 21.426 -3.268 569 HE2 PHE 69 HE2 PHE 69 12.193 19.996 -3.823 570 HZ PHE 69 HZ PHE 69 14.404 20.560 -4.749 571 H ARG 70 H ARG 70 14.452 22.765 2.783 572 HA ARG 70 HA ARG 70 14.577 21.848 5.373 573 HB2 ARG 70 HB2 ARG 70 13.520 23.958 6.040 574 HB3 ARG 70 HB3 ARG 70 14.727 24.216 4.787 575 HG2 ARG 70 HG2 ARG 70 12.641 24.014 3.198 576 HG3 ARG 70 HG3 ARG 70 11.771 24.483 4.660 577 HD2 ARG 70 HD2 ARG 70 12.214 26.543 3.762 578 HD3 ARG 70 HD3 ARG 70 13.631 26.330 4.790 579 HE ARG 70 HE ARG 70 14.013 25.375 2.111 580 HH11 ARG 70 HH11 ARG 70 14.119 28.168 4.186 581 HH12 ARG 70 HH12 ARG 70 15.250 29.026 3.193 582 HH21 ARG 70 HH21 ARG 70 15.502 26.494 0.794 583 HH22 ARG 70 HH22 ARG 70 16.036 28.073 1.263 584 H ALA 71 H ALA 71 12.897 21.729 7.038 585 HA ALA 71 HA ALA 71 10.478 20.429 5.983 586 HB1 ALA 71 HB1 ALA 71 11.478 18.832 7.295 587 HB2 ALA 71 HB2 ALA 71 12.113 20.012 8.442 588 HB3 ALA 71 HB3 ALA 71 10.399 19.595 8.463 589 H LYS 72 H LYS 72 10.729 23.295 6.188 590 HA LYS 72 HA LYS 72 9.605 24.420 8.461 591 HB2 LYS 72 HB2 LYS 72 10.533 25.493 6.250 592 HB3 LYS 72 HB3 LYS 72 8.847 25.446 5.753 593 HG2 LYS 72 HG2 LYS 72 8.204 26.824 7.613 594 HG3 LYS 72 HG3 LYS 72 9.843 26.769 8.267 595 HD2 LYS 72 HD2 LYS 72 9.671 28.852 7.178 596 HD3 LYS 72 HD3 LYS 72 10.589 27.822 6.077 597 HE2 LYS 72 HE2 LYS 72 7.617 28.013 5.819 598 HE3 LYS 72 HE3 LYS 72 8.639 29.295 5.169 599 HZ1 LYS 72 HZ1 LYS 72 8.908 28.035 3.384 600 HZ2 LYS 72 HZ2 LYS 72 8.097 26.732 4.094 601 HZ3 LYS 72 HZ3 LYS 72 9.762 26.918 4.325 Start of MODEL 4 1 H1 MET 1 H MET 1 8.272 -6.261 -11.649 2 HA MET 1 HA MET 1 9.196 -7.354 -9.766 3 HB2 MET 1 HB2 MET 1 11.562 -7.080 -11.618 4 HB3 MET 1 HB3 MET 1 11.182 -8.426 -10.552 5 HG2 MET 1 HG2 MET 1 9.029 -8.613 -11.989 6 HG3 MET 1 HG3 MET 1 9.948 -7.669 -13.159 7 HE1 MET 1 HE1 MET 1 9.346 -9.675 -14.723 8 HE2 MET 1 HE2 MET 1 10.113 -11.262 -14.659 9 HE3 MET 1 HE3 MET 1 8.800 -10.871 -13.546 10 H ALA 2 H ALA 2 9.229 -4.627 -9.124 11 HA ALA 2 HA ALA 2 11.799 -4.439 -7.699 12 HB1 ALA 2 HB1 ALA 2 11.209 -2.778 -9.717 13 HB2 ALA 2 HB2 ALA 2 10.450 -1.903 -8.386 14 HB3 ALA 2 HB3 ALA 2 12.168 -2.296 -8.317 15 H LYS 3 H LYS 3 11.465 -2.480 -5.998 16 HA LYS 3 HA LYS 3 8.866 -2.462 -4.762 17 HB2 LYS 3 HB2 LYS 3 10.196 -4.638 -4.082 18 HB3 LYS 3 HB3 LYS 3 11.030 -3.532 -2.999 19 HG2 LYS 3 HG2 LYS 3 9.187 -3.193 -1.696 20 HG3 LYS 3 HG3 LYS 3 8.059 -3.514 -3.015 21 HD2 LYS 3 HD2 LYS 3 9.134 -5.935 -2.838 22 HD3 LYS 3 HD3 LYS 3 9.438 -5.404 -1.182 23 HE2 LYS 3 HE2 LYS 3 7.355 -6.430 -1.046 24 HE3 LYS 3 HE3 LYS 3 6.958 -4.717 -1.174 25 HZ1 LYS 3 HZ1 LYS 3 7.116 -5.713 -3.762 26 HZ2 LYS 3 HZ2 LYS 3 5.732 -5.206 -2.933 27 HZ3 LYS 3 HZ3 LYS 3 6.203 -6.830 -2.878 28 H ASP 4 H ASP 4 9.014 -1.278 -2.573 29 HA ASP 4 HA ASP 4 11.201 0.678 -2.569 30 HB2 ASP 4 HB2 ASP 4 8.273 1.231 -2.834 31 HB3 ASP 4 HB3 ASP 4 9.278 2.368 -1.940 32 H ASP 5 H ASP 5 12.142 0.161 -0.683 33 HA ASP 5 HA ASP 5 10.423 0.034 1.709 34 HB2 ASP 5 HB2 ASP 5 13.093 -1.325 1.282 35 HB3 ASP 5 HB3 ASP 5 12.093 -1.434 2.729 36 H VAL 6 H VAL 6 10.819 2.476 1.355 37 HA VAL 6 HA VAL 6 13.159 3.225 2.975 38 HB VAL 6 HB VAL 6 13.222 5.384 1.659 39 HG11 VAL 6 HG11 VAL 6 14.256 4.113 -0.411 40 HG12 VAL 6 HG12 VAL 6 15.028 4.068 1.175 41 HG13 VAL 6 HG13 VAL 6 14.036 2.712 0.637 42 HG21 VAL 6 HG21 VAL 6 12.198 5.518 -0.471 43 HG22 VAL 6 HG22 VAL 6 11.710 3.824 -0.425 44 HG23 VAL 6 HG23 VAL 6 10.939 4.993 0.646 45 H ILE 7 H ILE 7 12.888 5.023 4.340 46 HA ILE 7 HA ILE 7 10.143 6.040 4.605 47 HB ILE 7 HB ILE 7 10.338 5.927 7.062 48 HG12 ILE 7 HG12 ILE 7 12.258 3.979 7.513 49 HG13 ILE 7 HG13 ILE 7 13.039 5.064 6.367 50 HG21 ILE 7 HG21 ILE 7 10.644 3.282 5.647 51 HG22 ILE 7 HG22 ILE 7 9.989 3.503 7.269 52 HG23 ILE 7 HG23 ILE 7 9.144 4.179 5.877 53 HD11 ILE 7 HD11 ILE 7 11.802 6.683 8.307 54 HD12 ILE 7 HD12 ILE 7 12.643 5.391 9.165 55 HD13 ILE 7 HD13 ILE 7 13.525 6.420 8.037 56 H GLN 8 H GLN 8 9.982 8.177 4.986 57 HA GLN 8 HA GLN 8 12.448 9.720 5.025 58 HB2 GLN 8 HB2 GLN 8 9.631 10.792 4.923 59 HB3 GLN 8 HB3 GLN 8 11.113 11.608 4.442 60 HG2 GLN 8 HG2 GLN 8 11.373 10.104 2.568 61 HG3 GLN 8 HG3 GLN 8 9.951 9.194 3.073 62 HE21 GLN 8 HE21 GLN 8 8.462 9.552 1.580 63 HE22 GLN 8 HE22 GLN 8 7.971 11.102 0.996 64 H MET 9 H MET 9 13.287 10.583 6.802 65 HA MET 9 HA MET 9 11.597 10.736 9.207 66 HB2 MET 9 HB2 MET 9 14.599 10.479 8.958 67 HB3 MET 9 HB3 MET 9 13.732 10.660 10.478 68 HG2 MET 9 HG2 MET 9 12.500 8.519 9.191 69 HG3 MET 9 HG3 MET 9 14.226 8.299 8.913 70 HE1 MET 9 HE1 MET 9 11.304 8.054 11.405 71 HE2 MET 9 HE2 MET 9 11.951 6.583 10.679 72 HE3 MET 9 HE3 MET 9 12.077 6.837 12.421 73 H GLN 10 H GLN 10 11.932 12.535 10.655 74 HA GLN 10 HA GLN 10 12.680 14.974 9.199 75 HB2 GLN 10 HB2 GLN 10 10.957 14.686 11.666 76 HB3 GLN 10 HB3 GLN 10 11.257 16.175 10.780 77 HG2 GLN 10 HG2 GLN 10 10.154 13.935 9.215 78 HG3 GLN 10 HG3 GLN 10 9.089 14.642 10.429 79 HE21 GLN 10 HE21 GLN 10 10.945 15.263 7.535 80 HE22 GLN 10 HE22 GLN 10 10.117 16.709 7.079 81 H GLY 11 H GLY 11 14.689 15.615 9.632 82 HA2 GLY 11 HA2 GLY 11 15.552 15.603 12.456 83 HA3 GLY 11 HA3 GLY 11 16.635 15.092 11.169 84 H GLU 12 H GLU 12 17.747 16.935 12.550 85 HA GLU 12 HA GLU 12 17.402 19.400 10.986 86 HB2 GLU 12 HB2 GLU 12 16.403 19.889 13.105 87 HB3 GLU 12 HB3 GLU 12 17.750 19.167 13.974 88 HG2 GLU 12 HG2 GLU 12 19.221 20.946 13.144 89 HG3 GLU 12 HG3 GLU 12 17.846 21.681 12.323 90 H VAL 13 H VAL 13 19.256 20.409 10.354 91 HA VAL 13 HA VAL 13 21.654 18.897 10.326 92 HB VAL 13 HB VAL 13 21.180 21.788 9.588 93 HG11 VAL 13 HG11 VAL 13 23.320 21.075 8.134 94 HG12 VAL 13 HG12 VAL 13 23.439 21.850 9.715 95 HG13 VAL 13 HG13 VAL 13 23.603 20.099 9.575 96 HG21 VAL 13 HG21 VAL 13 21.512 19.441 7.739 97 HG22 VAL 13 HG22 VAL 13 19.935 19.966 8.328 98 HG23 VAL 13 HG23 VAL 13 20.924 21.060 7.359 99 H ILE 14 H ILE 14 23.405 18.946 11.605 100 HA ILE 14 HA ILE 14 23.477 20.971 13.747 101 HB ILE 14 HB ILE 14 22.986 18.694 14.585 102 HG12 ILE 14 HG12 ILE 14 24.831 18.638 16.283 103 HG13 ILE 14 HG13 ILE 14 25.669 19.868 15.342 104 HG21 ILE 14 HG21 ILE 14 24.174 16.867 14.055 105 HG22 ILE 14 HG22 ILE 14 24.737 17.835 12.693 106 HG23 ILE 14 HG23 ILE 14 25.715 17.719 14.155 107 HD11 ILE 14 HD11 ILE 14 24.452 21.492 16.232 108 HD12 ILE 14 HD12 ILE 14 22.942 20.629 15.935 109 HD13 ILE 14 HD13 ILE 14 23.877 20.295 17.392 110 H GLU 15 H GLU 15 25.268 19.191 11.340 111 HA GLU 15 HA GLU 15 27.523 21.028 11.735 112 HB2 GLU 15 HB2 GLU 15 27.766 18.533 12.628 113 HB3 GLU 15 HB3 GLU 15 28.129 18.222 10.936 114 HG2 GLU 15 HG2 GLU 15 29.782 20.224 11.231 115 HG3 GLU 15 HG3 GLU 15 29.649 19.813 12.940 116 H ASN 16 H ASN 16 28.836 21.354 9.849 117 HA ASN 16 HA ASN 16 27.647 20.446 7.324 118 HB2 ASN 16 HB2 ASN 16 28.463 23.310 7.856 119 HB3 ASN 16 HB3 ASN 16 27.750 22.675 6.376 120 HD21 ASN 16 HD21 ASN 16 25.676 23.042 6.151 121 HD22 ASN 16 HD22 ASN 16 24.533 23.269 7.426 122 H LEU 17 H LEU 17 29.150 19.523 6.111 123 HA LEU 17 HA LEU 17 31.892 20.578 6.197 124 HB2 LEU 17 HB2 LEU 17 30.956 17.765 6.546 125 HB3 LEU 17 HB3 LEU 17 32.515 18.073 5.784 126 HG LEU 17 HG LEU 17 31.745 19.023 8.542 127 HD11 LEU 17 HD11 LEU 17 31.989 16.867 9.098 128 HD12 LEU 17 HD12 LEU 17 33.711 17.173 8.877 129 HD13 LEU 17 HD13 LEU 17 32.769 16.457 7.570 130 HD21 LEU 17 HD21 LEU 17 34.385 18.964 7.083 131 HD22 LEU 17 HD22 LEU 17 34.156 19.430 8.769 132 HD23 LEU 17 HD23 LEU 17 33.441 20.399 7.481 133 HA PRO 18 HA PRO 18 31.829 20.508 1.811 134 HB2 PRO 18 HB2 PRO 18 34.378 19.788 1.211 135 HB3 PRO 18 HB3 PRO 18 33.956 21.376 1.865 136 HG2 PRO 18 HG2 PRO 18 35.042 18.972 3.281 137 HG3 PRO 18 HG3 PRO 18 35.496 20.676 3.460 138 HD2 PRO 18 HD2 PRO 18 33.852 19.415 5.204 139 HD3 PRO 18 HD3 PRO 18 33.697 21.143 4.824 140 H ASN 19 H ASN 19 33.005 19.011 -0.053 141 HA ASN 19 HA ASN 19 32.926 17.043 -1.190 142 HB2 ASN 19 HB2 ASN 19 32.730 15.529 1.397 143 HB3 ASN 19 HB3 ASN 19 33.546 15.071 -0.096 144 HD21 ASN 19 HD21 ASN 19 34.267 15.584 2.882 145 HD22 ASN 19 HD22 ASN 19 35.747 16.467 2.763 146 H ALA 20 H ALA 20 30.495 18.454 -0.365 147 HA ALA 20 HA ALA 20 28.227 18.208 -0.350 148 HB1 ALA 20 HB1 ALA 20 28.720 15.659 -1.870 149 HB2 ALA 20 HB2 ALA 20 27.336 16.748 -1.981 150 HB3 ALA 20 HB3 ALA 20 28.910 17.258 -2.591 151 H THR 21 H THR 21 28.895 17.611 2.046 152 HA THR 21 HA THR 21 27.287 15.272 2.727 153 HB THR 21 HB THR 21 29.396 15.238 4.595 154 HG1 THR 21 HG1 THR 21 30.323 15.296 1.897 155 HG21 THR 21 HG21 THR 21 29.164 13.307 2.311 156 HG22 THR 21 HG22 THR 21 27.916 13.390 3.554 157 HG23 THR 21 HG23 THR 21 29.576 12.992 3.996 158 H PHE 22 H PHE 22 26.248 15.413 4.703 159 HA PHE 22 HA PHE 22 26.842 17.594 6.511 160 HB2 PHE 22 HB2 PHE 22 24.198 17.451 5.048 161 HB3 PHE 22 HB3 PHE 22 24.532 18.505 6.418 162 HD1 PHE 22 HD2 PHE 22 26.011 20.421 6.183 163 HD2 PHE 22 HD1 PHE 22 25.076 17.925 2.865 164 HE1 PHE 22 HE2 PHE 22 26.864 22.146 4.649 165 HE2 PHE 22 HE1 PHE 22 25.928 19.645 1.326 166 HZ PHE 22 HZ PHE 22 26.822 21.760 2.217 167 H ARG 23 H ARG 23 25.954 17.324 8.564 168 HA ARG 23 HA ARG 23 24.787 14.665 9.034 169 HB2 ARG 23 HB2 ARG 23 26.438 16.477 10.790 170 HB3 ARG 23 HB3 ARG 23 25.576 15.079 11.419 171 HG2 ARG 23 HG2 ARG 23 27.280 14.539 9.091 172 HG3 ARG 23 HG3 ARG 23 28.135 15.044 10.550 173 HD2 ARG 23 HD2 ARG 23 26.666 13.286 11.741 174 HD3 ARG 23 HD3 ARG 23 26.381 12.653 10.120 175 HE ARG 23 HE ARG 23 29.161 13.026 10.774 176 HH11 ARG 23 HH11 ARG 23 26.442 10.855 10.872 177 HH12 ARG 23 HH12 ARG 23 27.419 9.427 10.966 178 HH21 ARG 23 HH21 ARG 23 30.459 11.154 10.898 179 HH22 ARG 23 HH22 ARG 23 29.704 9.598 10.982 180 H VAL 24 H VAL 24 22.821 14.463 9.922 181 HA VAL 24 HA VAL 24 21.576 16.822 11.156 182 HB VAL 24 HB VAL 24 19.425 16.234 10.044 183 HG11 VAL 24 HG11 VAL 24 21.730 17.503 8.896 184 HG12 VAL 24 HG12 VAL 24 20.737 16.782 7.628 185 HG13 VAL 24 HG13 VAL 24 20.028 17.939 8.755 186 HG21 VAL 24 HG21 VAL 24 19.303 14.212 9.107 187 HG22 VAL 24 HG22 VAL 24 20.210 14.898 7.759 188 HG23 VAL 24 HG23 VAL 24 21.058 14.044 9.048 189 H LYS 25 H LYS 25 20.272 16.412 12.882 190 HA LYS 25 HA LYS 25 20.238 13.643 13.841 191 HB2 LYS 25 HB2 LYS 25 19.730 14.615 16.040 192 HB3 LYS 25 HB3 LYS 25 21.203 15.291 15.359 193 HG2 LYS 25 HG2 LYS 25 19.859 17.252 14.596 194 HG3 LYS 25 HG3 LYS 25 18.493 16.589 15.496 195 HD2 LYS 25 HD2 LYS 25 19.854 16.661 17.554 196 HD3 LYS 25 HD3 LYS 25 21.169 17.397 16.635 197 HE2 LYS 25 HE2 LYS 25 19.223 19.089 15.976 198 HE3 LYS 25 HE3 LYS 25 18.585 18.551 17.529 199 HZ1 LYS 25 HZ1 LYS 25 20.738 20.331 16.988 200 HZ2 LYS 25 HZ2 LYS 25 21.244 19.060 17.981 201 HZ3 LYS 25 HZ3 LYS 25 19.939 20.030 18.448 202 H LEU 26 H LEU 26 18.438 12.483 13.746 203 HA LEU 26 HA LEU 26 16.012 13.515 12.727 204 HB2 LEU 26 HB2 LEU 26 16.217 10.956 14.273 205 HB3 LEU 26 HB3 LEU 26 15.157 11.347 12.920 206 HG LEU 26 HG LEU 26 18.123 10.811 12.793 207 HD11 LEU 26 HD11 LEU 26 17.620 8.706 12.278 208 HD12 LEU 26 HD12 LEU 26 16.357 9.202 11.152 209 HD13 LEU 26 HD13 LEU 26 15.994 9.048 12.871 210 HD21 LEU 26 HD21 LEU 26 16.172 11.807 10.746 211 HD22 LEU 26 HD22 LEU 26 17.599 10.884 10.277 212 HD23 LEU 26 HD23 LEU 26 17.781 12.414 11.137 213 H GLU 27 H GLU 27 14.274 11.947 14.552 214 HA GLU 27 HA GLU 27 13.742 14.085 16.428 215 HB2 GLU 27 HB2 GLU 27 12.291 11.572 15.642 216 HB3 GLU 27 HB3 GLU 27 11.790 12.507 17.043 217 HG2 GLU 27 HG2 GLU 27 11.954 13.517 14.213 218 HG3 GLU 27 HG3 GLU 27 10.482 13.081 15.078 219 H ASN 28 H ASN 28 14.565 10.638 16.565 220 HA ASN 28 HA ASN 28 14.552 10.438 19.385 221 HB2 ASN 28 HB2 ASN 28 15.544 8.774 17.127 222 HB3 ASN 28 HB3 ASN 28 16.219 8.449 18.721 223 HD21 ASN 28 HD21 ASN 28 13.028 9.189 17.347 224 HD22 ASN 28 HD22 ASN 28 12.191 7.927 18.180 225 H GLY 29 H GLY 29 16.735 11.891 17.216 226 HA2 GLY 29 HA2 GLY 29 18.452 13.341 18.056 227 HA3 GLY 29 HA3 GLY 29 18.657 12.248 19.417 228 H HIS 30 H HIS 30 18.318 10.350 16.753 229 HA HIS 30 HA HIS 30 21.052 9.569 16.758 230 HB2 HIS 30 HB2 HIS 30 18.867 8.849 14.793 231 HB3 HIS 30 HB3 HIS 30 20.404 8.011 14.981 232 HD1 HIS 30 HD1 HIS 30 17.832 6.435 15.318 233 HD2 HIS 30 HD2 HIS 30 19.792 8.307 18.467 234 HE1 HIS 30 HE1 HIS 30 17.083 5.224 17.390 235 H VAL 31 H VAL 31 22.687 10.030 15.377 236 HA VAL 31 HA VAL 31 22.265 12.263 13.546 237 HB VAL 31 HB VAL 31 24.668 12.478 13.467 238 HG11 VAL 31 HG11 VAL 31 25.138 12.934 15.824 239 HG12 VAL 31 HG12 VAL 31 23.520 13.478 15.375 240 HG13 VAL 31 HG13 VAL 31 23.728 11.984 16.291 241 HG21 VAL 31 HG21 VAL 31 24.581 9.722 14.368 242 HG22 VAL 31 HG22 VAL 31 25.881 10.608 13.571 243 HG23 VAL 31 HG23 VAL 31 25.696 10.701 15.322 244 H VAL 32 H VAL 32 22.835 12.223 11.368 245 HA VAL 32 HA VAL 32 23.640 9.680 10.185 246 HB VAL 32 HB VAL 32 21.851 9.619 8.581 247 HG11 VAL 32 HG11 VAL 32 19.908 9.226 10.077 248 HG12 VAL 32 HG12 VAL 32 21.396 8.462 10.640 249 HG13 VAL 32 HG13 VAL 32 20.826 9.950 11.397 250 HG21 VAL 32 HG21 VAL 32 20.808 12.111 9.923 251 HG22 VAL 32 HG22 VAL 32 21.498 12.009 8.303 252 HG23 VAL 32 HG23 VAL 32 19.972 11.201 8.664 253 H LEU 33 H LEU 33 24.796 9.892 8.318 254 HA LEU 33 HA LEU 33 25.372 12.645 7.469 255 HB2 LEU 33 HB2 LEU 33 27.052 10.554 8.163 256 HB3 LEU 33 HB3 LEU 33 27.120 10.588 6.402 257 HG LEU 33 HG LEU 33 27.845 12.813 8.302 258 HD11 LEU 33 HD11 LEU 33 29.756 11.994 6.272 259 HD12 LEU 33 HD12 LEU 33 29.332 10.687 7.377 260 HD13 LEU 33 HD13 LEU 33 29.968 12.204 8.011 261 HD21 LEU 33 HD21 LEU 33 27.047 14.115 6.632 262 HD22 LEU 33 HD22 LEU 33 27.172 12.837 5.423 263 HD23 LEU 33 HD23 LEU 33 28.610 13.737 5.909 264 H GLY 34 H GLY 34 25.023 13.309 5.418 265 HA2 GLY 34 HA2 GLY 34 24.670 11.451 3.248 266 HA3 GLY 34 HA3 GLY 34 23.165 12.194 3.769 267 H HIS 35 H HIS 35 23.514 12.785 1.338 268 HA HIS 35 HA HIS 35 24.794 15.438 1.279 269 HB2 HIS 35 HB2 HIS 35 25.466 15.094 -0.995 270 HB3 HIS 35 HB3 HIS 35 26.007 13.695 -0.071 271 HD1 HIS 35 HD1 HIS 35 25.014 11.427 -0.677 272 HD2 HIS 35 HD2 HIS 35 23.345 14.580 -2.806 273 HE1 HIS 35 HE1 HIS 35 23.650 10.360 -2.500 274 H ILE 36 H ILE 36 23.726 17.071 0.158 275 HA ILE 36 HA ILE 36 20.880 16.539 -0.319 276 HB ILE 36 HB ILE 36 21.461 18.314 1.314 277 HG12 ILE 36 HG12 ILE 36 19.441 18.289 -0.430 278 HG13 ILE 36 HG13 ILE 36 19.671 19.609 0.711 279 HG21 ILE 36 HG21 ILE 36 23.487 19.177 0.408 280 HG22 ILE 36 HG22 ILE 36 22.695 19.613 -1.105 281 HG23 ILE 36 HG23 ILE 36 22.302 20.482 0.378 282 HD11 ILE 36 HD11 ILE 36 20.903 19.744 -2.002 283 HD12 ILE 36 HD12 ILE 36 19.199 20.134 -1.771 284 HD13 ILE 36 HD13 ILE 36 20.438 21.052 -0.914 285 H SER 37 H SER 37 19.862 17.125 -2.216 286 HA SER 37 HA SER 37 21.372 18.390 -4.345 287 HB2 SER 37 HB2 SER 37 20.718 16.461 -5.919 288 HB3 SER 37 HB3 SER 37 22.076 16.192 -4.827 289 HG SER 37 HG SER 37 19.635 14.955 -4.927 290 H GLY 38 H GLY 38 20.069 19.165 -6.048 291 HA2 GLY 38 HA2 GLY 38 17.471 18.677 -6.663 292 HA3 GLY 38 HA3 GLY 38 17.352 19.715 -5.250 293 H LYS 39 H LYS 39 16.209 21.104 -6.834 294 HA LYS 39 HA LYS 39 17.910 22.459 -8.768 295 HB2 LYS 39 HB2 LYS 39 15.862 23.621 -9.446 296 HB3 LYS 39 HB3 LYS 39 15.627 21.878 -9.426 297 HG2 LYS 39 HG2 LYS 39 14.200 21.948 -7.640 298 HG3 LYS 39 HG3 LYS 39 14.895 23.441 -7.004 299 HD2 LYS 39 HD2 LYS 39 12.969 24.311 -7.833 300 HD3 LYS 39 HD3 LYS 39 13.928 24.377 -9.314 301 HE2 LYS 39 HE2 LYS 39 11.871 23.408 -9.931 302 HE3 LYS 39 HE3 LYS 39 13.017 22.070 -9.837 303 HZ1 LYS 39 HZ1 LYS 39 12.134 21.864 -7.438 304 HZ2 LYS 39 HZ2 LYS 39 11.198 21.259 -8.710 305 HZ3 LYS 39 HZ3 LYS 39 10.811 22.749 -8.010 306 H MET 40 H MET 40 16.720 22.893 -5.570 307 HA MET 40 HA MET 40 17.123 25.759 -5.544 308 HB2 MET 40 HB2 MET 40 16.251 23.722 -3.527 309 HB3 MET 40 HB3 MET 40 16.768 25.314 -2.991 310 HG2 MET 40 HG2 MET 40 15.058 26.092 -4.852 311 HG3 MET 40 HG3 MET 40 14.358 24.511 -4.514 312 HE1 MET 40 HE1 MET 40 15.093 27.957 -3.594 313 HE2 MET 40 HE2 MET 40 14.183 28.301 -2.123 314 HE3 MET 40 HE3 MET 40 15.794 27.590 -2.017 315 H ARG 41 H ARG 41 18.979 22.934 -4.992 316 HA ARG 41 HA ARG 41 20.916 24.165 -3.253 317 HB2 ARG 41 HB2 ARG 41 20.357 21.690 -3.321 318 HB3 ARG 41 HB3 ARG 41 21.253 21.618 -4.832 319 HG2 ARG 41 HG2 ARG 41 23.113 22.780 -3.334 320 HG3 ARG 41 HG3 ARG 41 22.229 21.940 -2.058 321 HD2 ARG 41 HD2 ARG 41 23.949 20.476 -2.788 322 HD3 ARG 41 HD3 ARG 41 22.433 19.850 -3.434 323 HE ARG 41 HE ARG 41 23.225 20.224 -5.546 324 HH11 ARG 41 HH11 ARG 41 25.158 22.020 -3.275 325 HH12 ARG 41 HH12 ARG 41 26.327 22.509 -4.457 326 HH21 ARG 41 HH21 ARG 41 24.758 20.861 -7.111 327 HH22 ARG 41 HH22 ARG 41 26.098 21.849 -6.639 328 H MET 42 H MET 42 20.374 23.975 -6.635 329 HA MET 42 HA MET 42 23.110 24.433 -7.410 330 HB2 MET 42 HB2 MET 42 20.529 24.600 -8.974 331 HB3 MET 42 HB3 MET 42 22.130 24.781 -9.678 332 HG2 MET 42 HG2 MET 42 22.610 22.566 -9.519 333 HG3 MET 42 HG3 MET 42 21.594 22.334 -8.098 334 HE1 MET 42 HE1 MET 42 21.833 21.671 -11.910 335 HE2 MET 42 HE2 MET 42 20.284 22.281 -12.491 336 HE3 MET 42 HE3 MET 42 21.469 23.394 -11.805 337 H HIS 43 H HIS 43 20.780 26.343 -6.029 338 HA HIS 43 HA HIS 43 21.536 28.787 -7.433 339 HB2 HIS 43 HB2 HIS 43 19.461 28.170 -5.334 340 HB3 HIS 43 HB3 HIS 43 19.844 29.819 -5.820 341 HD1 HIS 43 HD1 HIS 43 17.131 29.485 -6.436 342 HD2 HIS 43 HD2 HIS 43 19.963 27.768 -8.944 343 HE1 HIS 43 HE1 HIS 43 15.941 29.077 -8.613 344 H TYR 44 H TYR 44 23.238 27.130 -5.486 345 HA TYR 44 HA TYR 44 24.746 27.476 -3.813 346 HB2 TYR 44 HB2 TYR 44 24.616 30.385 -4.600 347 HB3 TYR 44 HB3 TYR 44 25.985 29.507 -3.928 348 HD1 TYR 44 HD2 TYR 44 26.833 27.487 -5.397 349 HD2 TYR 44 HD1 TYR 44 24.546 30.753 -6.882 350 HE1 TYR 44 HE2 TYR 44 27.657 27.024 -7.668 351 HE2 TYR 44 HE1 TYR 44 25.363 30.298 -9.157 352 HH TYR 44 HH TYR 44 26.986 27.431 -9.988 353 H ILE 45 H ILE 45 22.388 27.201 -2.683 354 HA ILE 45 HA ILE 45 21.300 29.314 -1.228 355 HB ILE 45 HB ILE 45 20.527 27.519 0.384 356 HG12 ILE 45 HG12 ILE 45 21.710 25.626 -1.647 357 HG13 ILE 45 HG13 ILE 45 22.528 26.033 -0.143 358 HG21 ILE 45 HG21 ILE 45 19.991 27.497 -2.556 359 HG22 ILE 45 HG22 ILE 45 19.186 26.335 -1.502 360 HG23 ILE 45 HG23 ILE 45 18.970 28.064 -1.234 361 HD11 ILE 45 HD11 ILE 45 21.361 23.949 0.101 362 HD12 ILE 45 HD12 ILE 45 20.582 25.175 1.102 363 HD13 ILE 45 HD13 ILE 45 19.852 24.691 -0.429 364 H ARG 46 H ARG 46 21.294 29.041 1.357 365 HA ARG 46 HA ARG 46 24.104 29.011 2.238 366 HB2 ARG 46 HB2 ARG 46 21.972 31.061 2.812 367 HB3 ARG 46 HB3 ARG 46 23.392 30.882 3.833 368 HG2 ARG 46 HG2 ARG 46 24.621 31.085 1.485 369 HG3 ARG 46 HG3 ARG 46 23.146 31.970 1.094 370 HD2 ARG 46 HD2 ARG 46 24.650 33.595 1.882 371 HD3 ARG 46 HD3 ARG 46 23.553 33.287 3.228 372 HE ARG 46 HE ARG 46 25.791 31.609 3.467 373 HH11 ARG 46 HH11 ARG 46 24.924 34.973 3.698 374 HH12 ARG 46 HH12 ARG 46 26.171 35.351 4.840 375 HH21 ARG 46 HH21 ARG 46 27.438 32.094 4.970 376 HH22 ARG 46 HH22 ARG 46 27.601 33.713 5.562 377 H ILE 47 H ILE 47 23.503 26.800 2.877 378 HA ILE 47 HA ILE 47 21.539 26.330 4.876 379 HB ILE 47 HB ILE 47 23.946 24.613 4.276 380 HG12 ILE 47 HG12 ILE 47 21.212 24.550 2.980 381 HG13 ILE 47 HG13 ILE 47 22.678 25.157 2.217 382 HG21 ILE 47 HG21 ILE 47 22.817 23.969 6.300 383 HG22 ILE 47 HG22 ILE 47 21.254 24.009 5.487 384 HG23 ILE 47 HG23 ILE 47 22.448 22.791 5.040 385 HD11 ILE 47 HD11 ILE 47 23.548 22.735 2.844 386 HD12 ILE 47 HD12 ILE 47 21.823 22.377 2.750 387 HD13 ILE 47 HD13 ILE 47 22.659 23.065 1.358 388 H LEU 48 H LEU 48 21.805 25.898 7.083 389 HA LEU 48 HA LEU 48 24.384 26.446 8.314 390 HB2 LEU 48 HB2 LEU 48 23.045 27.975 9.965 391 HB3 LEU 48 HB3 LEU 48 23.721 28.623 8.473 392 HG LEU 48 HG LEU 48 21.475 28.387 7.425 393 HD11 LEU 48 HD11 LEU 48 20.803 27.435 10.179 394 HD12 LEU 48 HD12 LEU 48 20.342 26.759 8.617 395 HD13 LEU 48 HD13 LEU 48 19.590 28.248 9.189 396 HD21 LEU 48 HD21 LEU 48 21.254 30.527 7.960 397 HD22 LEU 48 HD22 LEU 48 22.397 30.306 9.285 398 HD23 LEU 48 HD23 LEU 48 20.669 30.087 9.565 399 HA PRO 49 HA PRO 49 23.118 23.446 11.255 400 HB2 PRO 49 HB2 PRO 49 24.266 24.360 13.539 401 HB3 PRO 49 HB3 PRO 49 25.196 23.653 12.213 402 HG2 PRO 49 HG2 PRO 49 24.745 26.535 12.883 403 HG3 PRO 49 HG3 PRO 49 26.239 25.724 12.380 404 HD2 PRO 49 HD2 PRO 49 24.721 27.173 10.669 405 HD3 PRO 49 HD3 PRO 49 25.653 25.754 10.151 406 H GLY 50 H GLY 50 21.083 23.226 11.942 407 HA2 GLY 50 HA2 GLY 50 19.670 23.656 13.945 408 HA3 GLY 50 HA3 GLY 50 19.957 25.364 13.646 409 H ASP 51 H ASP 51 19.623 23.651 10.769 410 HA ASP 51 HA ASP 51 16.917 24.716 10.431 411 HB2 ASP 51 HB2 ASP 51 18.901 25.153 8.808 412 HB3 ASP 51 HB3 ASP 51 18.567 23.526 8.221 413 H LYS 52 H LYS 52 15.169 23.461 10.108 414 HA LYS 52 HA LYS 52 15.419 20.633 10.607 415 HB2 LYS 52 HB2 LYS 52 12.986 22.327 10.007 416 HB3 LYS 52 HB3 LYS 52 12.946 20.643 10.513 417 HG2 LYS 52 HG2 LYS 52 14.038 21.280 12.627 418 HG3 LYS 52 HG3 LYS 52 13.983 22.969 12.119 419 HD2 LYS 52 HD2 LYS 52 11.449 21.412 12.084 420 HD3 LYS 52 HD3 LYS 52 12.098 21.908 13.649 421 HE2 LYS 52 HE2 LYS 52 12.181 24.237 12.841 422 HE3 LYS 52 HE3 LYS 52 11.459 23.716 11.320 423 HZ1 LYS 52 HZ1 LYS 52 9.841 24.652 12.901 424 HZ2 LYS 52 HZ2 LYS 52 10.179 23.393 13.979 425 HZ3 LYS 52 HZ3 LYS 52 9.484 23.055 12.474 426 H VAL 53 H VAL 53 15.696 19.139 9.098 427 HA VAL 53 HA VAL 53 14.491 19.523 6.454 428 HB VAL 53 HB VAL 53 16.479 18.852 5.280 429 HG11 VAL 53 HG11 VAL 53 17.688 20.866 7.071 430 HG12 VAL 53 HG12 VAL 53 17.491 20.876 5.317 431 HG13 VAL 53 HG13 VAL 53 16.128 21.280 6.362 432 HG21 VAL 53 HG21 VAL 53 18.652 18.717 6.666 433 HG22 VAL 53 HG22 VAL 53 17.579 18.416 8.033 434 HG23 VAL 53 HG23 VAL 53 17.573 17.323 6.650 435 H THR 54 H THR 54 14.163 17.572 5.270 436 HA THR 54 HA THR 54 13.738 15.281 7.010 437 HB THR 54 HB THR 54 13.026 15.448 4.085 438 HG1 THR 54 HG1 THR 54 11.119 16.413 4.675 439 HG21 THR 54 HG21 THR 54 11.361 13.799 4.639 440 HG22 THR 54 HG22 THR 54 11.742 13.930 6.357 441 HG23 THR 54 HG23 THR 54 12.922 13.242 5.241 442 H VAL 55 H VAL 55 14.591 13.232 6.674 443 HA VAL 55 HA VAL 55 16.656 12.942 4.613 444 HB VAL 55 HB VAL 55 18.036 11.703 6.410 445 HG11 VAL 55 HG11 VAL 55 18.156 14.223 5.361 446 HG12 VAL 55 HG12 VAL 55 18.190 14.542 7.096 447 HG13 VAL 55 HG13 VAL 55 19.398 13.481 6.370 448 HG21 VAL 55 HG21 VAL 55 17.772 12.500 8.682 449 HG22 VAL 55 HG22 VAL 55 16.409 13.509 8.198 450 HG23 VAL 55 HG23 VAL 55 16.272 11.752 8.134 451 H GLU 56 H GLU 56 16.752 10.954 3.709 452 HA GLU 56 HA GLU 56 14.831 8.967 4.689 453 HB2 GLU 56 HB2 GLU 56 15.629 9.873 2.078 454 HB3 GLU 56 HB3 GLU 56 15.908 8.143 2.215 455 HG2 GLU 56 HG2 GLU 56 13.574 7.852 2.945 456 HG3 GLU 56 HG3 GLU 56 13.310 9.578 2.708 457 H LEU 57 H LEU 57 15.552 7.276 5.784 458 HA LEU 57 HA LEU 57 18.367 6.481 5.462 459 HB2 LEU 57 HB2 LEU 57 17.722 7.260 7.706 460 HB3 LEU 57 HB3 LEU 57 16.505 5.988 7.782 461 HG LEU 57 HG LEU 57 18.847 4.612 7.270 462 HD11 LEU 57 HD11 LEU 57 19.614 6.270 9.579 463 HD12 LEU 57 HD12 LEU 57 19.772 7.034 7.999 464 HD13 LEU 57 HD13 LEU 57 20.612 5.520 8.333 465 HD21 LEU 57 HD21 LEU 57 18.654 4.153 9.814 466 HD22 LEU 57 HD22 LEU 57 17.333 3.676 8.748 467 HD23 LEU 57 HD23 LEU 57 17.202 5.149 9.710 468 H THR 58 H THR 58 18.904 4.352 5.118 469 HA THR 58 HA THR 58 16.683 2.622 4.281 470 HB THR 58 HB THR 58 18.954 1.345 3.426 471 HG1 THR 58 HG1 THR 58 20.345 2.905 2.639 472 HG21 THR 58 HG21 THR 58 16.706 2.344 2.298 473 HG22 THR 58 HG22 THR 58 18.045 1.657 1.378 474 HG23 THR 58 HG23 THR 58 17.921 3.404 1.585 475 HA PRO 59 HA PRO 59 17.351 -0.330 7.459 476 HB2 PRO 59 HB2 PRO 59 16.988 -2.680 6.148 477 HB3 PRO 59 HB3 PRO 59 15.661 -1.574 6.524 478 HG2 PRO 59 HG2 PRO 59 17.164 -1.928 3.959 479 HG3 PRO 59 HG3 PRO 59 15.421 -1.727 4.216 480 HD2 PRO 59 HD2 PRO 59 17.021 0.309 3.424 481 HD3 PRO 59 HD3 PRO 59 15.591 0.560 4.446 482 H TYR 60 H TYR 60 19.407 -0.245 4.728 483 HA TYR 60 HA TYR 60 21.113 -2.406 5.201 484 HB2 TYR 60 HB2 TYR 60 21.763 0.308 4.032 485 HB3 TYR 60 HB3 TYR 60 22.795 -1.113 3.921 486 HD1 TYR 60 HD2 TYR 60 20.860 -3.235 3.312 487 HD2 TYR 60 HD1 TYR 60 21.085 0.756 1.853 488 HE1 TYR 60 HE2 TYR 60 19.694 -3.925 1.260 489 HE2 TYR 60 HE1 TYR 60 19.919 0.076 -0.203 490 HH TYR 60 HH TYR 60 18.419 -1.693 -0.970 491 H ASP 61 H ASP 61 21.182 0.898 6.471 492 HA ASP 61 HA ASP 61 22.559 0.042 8.833 493 HB2 ASP 61 HB2 ASP 61 24.035 1.426 6.647 494 HB3 ASP 61 HB3 ASP 61 24.381 1.917 8.303 495 H LEU 62 H LEU 62 22.814 1.786 10.399 496 HA LEU 62 HA LEU 62 20.813 3.892 9.958 497 HB2 LEU 62 HB2 LEU 62 21.952 2.990 12.592 498 HB3 LEU 62 HB3 LEU 62 20.527 3.991 12.320 499 HG LEU 62 HG LEU 62 20.601 1.169 11.322 500 HD11 LEU 62 HD11 LEU 62 21.093 0.654 13.503 501 HD12 LEU 62 HD12 LEU 62 19.334 0.745 13.570 502 HD13 LEU 62 HD13 LEU 62 20.309 2.100 14.138 503 HD21 LEU 62 HD21 LEU 62 18.577 3.273 11.853 504 HD22 LEU 62 HD22 LEU 62 18.104 1.594 12.111 505 HD23 LEU 62 HD23 LEU 62 18.687 2.113 10.529 506 H SER 63 H SER 63 23.840 3.744 9.340 507 HA SER 63 HA SER 63 24.545 6.282 10.665 508 HB2 SER 63 HB2 SER 63 26.405 4.081 9.733 509 HB3 SER 63 HB3 SER 63 26.914 5.617 10.434 510 HG SER 63 HG SER 63 26.364 3.429 11.727 511 H ARG 64 H ARG 64 23.063 5.939 8.191 512 HA ARG 64 HA ARG 64 24.460 7.804 6.580 513 HB2 ARG 64 HB2 ARG 64 24.559 6.265 4.537 514 HB3 ARG 64 HB3 ARG 64 25.803 6.059 5.762 515 HG2 ARG 64 HG2 ARG 64 24.487 4.173 6.700 516 HG3 ARG 64 HG3 ARG 64 23.371 4.338 5.343 517 HD2 ARG 64 HD2 ARG 64 25.109 2.574 5.038 518 HD3 ARG 64 HD3 ARG 64 25.091 3.803 3.774 519 HE ARG 64 HE ARG 64 26.938 4.437 5.851 520 HH11 ARG 64 HH11 ARG 64 26.487 2.485 3.004 521 HH12 ARG 64 HH12 ARG 64 28.180 2.378 2.650 522 HH21 ARG 64 HH21 ARG 64 29.169 4.303 5.396 523 HH22 ARG 64 HH22 ARG 64 29.704 3.411 4.012 524 H ALA 65 H ALA 65 23.140 8.742 5.036 525 HA ALA 65 HA ALA 65 20.698 7.587 4.146 526 HB1 ALA 65 HB1 ALA 65 20.644 9.303 6.552 527 HB2 ALA 65 HB2 ALA 65 19.408 9.609 5.331 528 HB3 ALA 65 HB3 ALA 65 19.556 8.008 6.054 529 H ARG 66 H ARG 66 19.294 9.343 3.056 530 HA ARG 66 HA ARG 66 21.124 11.115 1.602 531 HB2 ARG 66 HB2 ARG 66 19.561 11.084 -0.200 532 HB3 ARG 66 HB3 ARG 66 19.747 9.424 0.349 533 HG2 ARG 66 HG2 ARG 66 17.654 9.589 1.589 534 HG3 ARG 66 HG3 ARG 66 17.468 11.261 1.054 535 HD2 ARG 66 HD2 ARG 66 17.529 8.807 -0.699 536 HD3 ARG 66 HD3 ARG 66 16.114 9.786 -0.314 537 HE ARG 66 HE ARG 66 17.972 11.496 -1.446 538 HH11 ARG 66 HH11 ARG 66 16.188 8.657 -2.386 539 HH12 ARG 66 HH12 ARG 66 16.135 9.087 -4.063 540 HH21 ARG 66 HH21 ARG 66 17.908 12.072 -3.652 541 HH22 ARG 66 HH22 ARG 66 17.114 11.029 -4.783 542 H ILE 67 H ILE 67 20.929 13.277 1.654 543 HA ILE 67 HA ILE 67 19.191 14.464 3.599 544 HB ILE 67 HB ILE 67 20.957 15.841 1.574 545 HG12 ILE 67 HG12 ILE 67 22.179 14.250 3.054 546 HG13 ILE 67 HG13 ILE 67 22.650 15.928 3.300 547 HG21 ILE 67 HG21 ILE 67 19.475 17.451 2.390 548 HG22 ILE 67 HG22 ILE 67 19.494 16.776 4.018 549 HG23 ILE 67 HG23 ILE 67 20.907 17.634 3.403 550 HD11 ILE 67 HD11 ILE 67 21.876 15.970 5.408 551 HD12 ILE 67 HD12 ILE 67 20.496 14.934 5.039 552 HD13 ILE 67 HD13 ILE 67 22.090 14.224 5.289 553 H VAL 68 H VAL 68 17.369 15.647 3.306 554 HA VAL 68 HA VAL 68 16.406 15.989 0.541 555 HB VAL 68 HB VAL 68 14.520 15.517 2.828 556 HG11 VAL 68 HG11 VAL 68 14.379 15.335 -0.166 557 HG12 VAL 68 HG12 VAL 68 13.167 14.583 0.873 558 HG13 VAL 68 HG13 VAL 68 13.414 16.329 0.926 559 HG21 VAL 68 HG21 VAL 68 15.485 13.492 3.072 560 HG22 VAL 68 HG22 VAL 68 14.552 13.105 1.626 561 HG23 VAL 68 HG23 VAL 68 16.253 13.546 1.485 562 H PHE 69 H PHE 69 14.739 17.688 0.315 563 HA PHE 69 HA PHE 69 15.591 20.154 1.183 564 HB2 PHE 69 HB2 PHE 69 12.971 19.150 0.139 565 HB3 PHE 69 HB3 PHE 69 13.083 20.806 0.727 566 HD1 PHE 69 HD2 PHE 69 15.276 18.590 -1.330 567 HD2 PHE 69 HD1 PHE 69 13.258 22.321 -0.976 568 HE1 PHE 69 HE2 PHE 69 16.201 19.292 -3.499 569 HE2 PHE 69 HE1 PHE 69 14.179 23.028 -3.145 570 HZ PHE 69 HZ PHE 69 15.654 21.514 -4.409 571 H ARG 70 H ARG 70 14.370 21.737 2.553 572 HA ARG 70 HA ARG 70 14.383 21.027 5.206 573 HB2 ARG 70 HB2 ARG 70 12.622 23.164 3.996 574 HB3 ARG 70 HB3 ARG 70 13.193 23.090 5.657 575 HG2 ARG 70 HG2 ARG 70 15.505 23.342 4.844 576 HG3 ARG 70 HG3 ARG 70 14.883 23.500 3.200 577 HD2 ARG 70 HD2 ARG 70 14.328 25.330 5.531 578 HD3 ARG 70 HD3 ARG 70 15.318 25.691 4.118 579 HE ARG 70 HE ARG 70 12.702 24.992 3.317 580 HH11 ARG 70 HH11 ARG 70 14.497 27.569 4.821 581 HH12 ARG 70 HH12 ARG 70 13.415 28.811 4.284 582 HH21 ARG 70 HH21 ARG 70 11.271 26.619 2.604 583 HH22 ARG 70 HH22 ARG 70 11.581 28.270 3.024 584 H ALA 71 H ALA 71 12.701 20.718 6.768 585 HA ALA 71 HA ALA 71 10.570 19.026 5.752 586 HB1 ALA 71 HB1 ALA 71 11.662 18.076 7.591 587 HB2 ALA 71 HB2 ALA 71 11.643 19.590 8.498 588 HB3 ALA 71 HB3 ALA 71 10.146 18.691 8.250 589 H LYS 72 H LYS 72 9.944 21.403 4.838 590 HA LYS 72 HA LYS 72 8.599 23.214 6.467 591 HB2 LYS 72 HB2 LYS 72 9.207 23.256 3.903 592 HB3 LYS 72 HB3 LYS 72 7.572 22.632 3.718 593 HG2 LYS 72 HG2 LYS 72 7.036 24.678 5.332 594 HG3 LYS 72 HG3 LYS 72 8.502 25.307 4.575 595 HD2 LYS 72 HD2 LYS 72 6.244 24.166 2.954 596 HD3 LYS 72 HD3 LYS 72 6.262 25.856 3.463 597 HE2 LYS 72 HE2 LYS 72 8.027 26.388 2.104 598 HE3 LYS 72 HE3 LYS 72 8.688 24.754 2.141 599 HZ1 LYS 72 HZ1 LYS 72 7.853 24.966 0.006 600 HZ2 LYS 72 HZ2 LYS 72 6.474 25.810 0.502 601 HZ3 LYS 72 HZ3 LYS 72 6.606 24.151 0.807 Start of MODEL 5 1 H1 MET 1 H MET 1 17.149 -7.093 -2.127 2 HA MET 1 HA MET 1 14.698 -8.606 -1.712 3 HB2 MET 1 HB2 MET 1 15.728 -6.596 0.298 4 HB3 MET 1 HB3 MET 1 14.119 -7.305 0.318 5 HG2 MET 1 HG2 MET 1 15.500 -9.555 0.321 6 HG3 MET 1 HG3 MET 1 16.735 -8.509 1.018 7 HE1 MET 1 HE1 MET 1 16.604 -10.023 3.530 8 HE2 MET 1 HE2 MET 1 15.008 -10.685 3.886 9 HE3 MET 1 HE3 MET 1 15.753 -10.976 2.313 10 H ALA 2 H ALA 2 13.549 -7.789 -3.354 11 HA ALA 2 HA ALA 2 13.804 -5.210 -4.424 12 HB1 ALA 2 HB1 ALA 2 12.389 -7.523 -5.055 13 HB2 ALA 2 HB2 ALA 2 11.156 -6.284 -4.822 14 HB3 ALA 2 HB3 ALA 2 12.454 -6.028 -5.988 15 H LYS 3 H LYS 3 11.962 -6.422 -1.739 16 HA LYS 3 HA LYS 3 9.967 -4.520 -1.488 17 HB2 LYS 3 HB2 LYS 3 11.540 -5.749 0.782 18 HB3 LYS 3 HB3 LYS 3 9.922 -5.065 0.879 19 HG2 LYS 3 HG2 LYS 3 9.169 -6.826 -0.724 20 HG3 LYS 3 HG3 LYS 3 10.768 -7.559 -0.575 21 HD2 LYS 3 HD2 LYS 3 10.264 -7.458 1.984 22 HD3 LYS 3 HD3 LYS 3 8.584 -7.332 1.456 23 HE2 LYS 3 HE2 LYS 3 8.717 -9.419 0.304 24 HE3 LYS 3 HE3 LYS 3 10.461 -9.505 0.545 25 HZ1 LYS 3 HZ1 LYS 3 10.039 -10.650 2.378 26 HZ2 LYS 3 HZ2 LYS 3 8.375 -10.365 2.264 27 HZ3 LYS 3 HZ3 LYS 3 9.370 -9.254 3.062 28 H ASP 4 H ASP 4 10.326 -2.400 -1.751 29 HA ASP 4 HA ASP 4 12.656 -1.155 -0.507 30 HB2 ASP 4 HB2 ASP 4 10.756 -0.400 -2.671 31 HB3 ASP 4 HB3 ASP 4 11.490 0.906 -1.744 32 H ASP 5 H ASP 5 12.319 -0.809 1.612 33 HA ASP 5 HA ASP 5 9.744 0.247 2.507 34 HB2 ASP 5 HB2 ASP 5 12.088 -1.009 3.896 35 HB3 ASP 5 HB3 ASP 5 10.934 -0.042 4.811 36 H VAL 6 H VAL 6 11.119 2.049 0.974 37 HA VAL 6 HA VAL 6 12.778 3.792 2.495 38 HB VAL 6 HB VAL 6 12.554 5.362 0.657 39 HG11 VAL 6 HG11 VAL 6 13.173 3.786 -1.247 40 HG12 VAL 6 HG12 VAL 6 14.147 3.690 0.221 41 HG13 VAL 6 HG13 VAL 6 12.908 2.475 -0.098 42 HG21 VAL 6 HG21 VAL 6 11.042 4.180 -1.289 43 HG22 VAL 6 HG22 VAL 6 10.103 3.843 0.165 44 HG23 VAL 6 HG23 VAL 6 10.512 5.506 -0.255 45 H ILE 7 H ILE 7 12.288 5.533 3.713 46 HA ILE 7 HA ILE 7 9.565 6.588 3.700 47 HB ILE 7 HB ILE 7 9.391 6.510 6.145 48 HG12 ILE 7 HG12 ILE 7 11.125 4.580 7.013 49 HG13 ILE 7 HG13 ILE 7 12.131 5.466 5.872 50 HG21 ILE 7 HG21 ILE 7 9.851 3.802 4.899 51 HG22 ILE 7 HG22 ILE 7 8.920 4.123 6.361 52 HG23 ILE 7 HG23 ILE 7 8.364 4.745 4.808 53 HD11 ILE 7 HD11 ILE 7 10.707 7.304 7.539 54 HD12 ILE 7 HD12 ILE 7 11.563 6.121 8.528 55 HD13 ILE 7 HD13 ILE 7 12.445 7.083 7.342 56 H GLN 8 H GLN 8 9.527 8.741 3.898 57 HA GLN 8 HA GLN 8 12.018 10.160 4.185 58 HB2 GLN 8 HB2 GLN 8 9.207 11.224 3.862 59 HB3 GLN 8 HB3 GLN 8 10.686 12.163 3.712 60 HG2 GLN 8 HG2 GLN 8 11.202 11.292 1.669 61 HG3 GLN 8 HG3 GLN 8 10.359 9.776 1.979 62 HE21 GLN 8 HE21 GLN 8 9.953 13.153 1.146 63 HE22 GLN 8 HE22 GLN 8 8.393 12.985 0.423 64 H MET 9 H MET 9 12.829 10.928 6.015 65 HA MET 9 HA MET 9 11.047 11.160 8.345 66 HB2 MET 9 HB2 MET 9 13.885 10.341 8.013 67 HB3 MET 9 HB3 MET 9 13.470 11.222 9.477 68 HG2 MET 9 HG2 MET 9 11.782 8.908 8.686 69 HG3 MET 9 HG3 MET 9 13.376 8.601 9.373 70 HE1 MET 9 HE1 MET 9 9.585 9.045 10.755 71 HE2 MET 9 HE2 MET 9 10.606 7.741 10.150 72 HE3 MET 9 HE3 MET 9 10.395 7.962 11.887 73 H GLN 10 H GLN 10 11.260 12.959 9.744 74 HA GLN 10 HA GLN 10 12.399 15.330 8.423 75 HB2 GLN 10 HB2 GLN 10 9.891 14.837 9.862 76 HB3 GLN 10 HB3 GLN 10 10.720 16.304 10.364 77 HG2 GLN 10 HG2 GLN 10 9.655 17.266 8.664 78 HG3 GLN 10 HG3 GLN 10 10.864 16.482 7.649 79 HE21 GLN 10 HE21 GLN 10 10.159 13.958 7.476 80 HE22 GLN 10 HE22 GLN 10 8.570 13.770 6.824 81 H GLY 11 H GLY 11 14.316 15.841 9.260 82 HA2 GLY 11 HA2 GLY 11 14.573 15.831 12.201 83 HA3 GLY 11 HA3 GLY 11 15.860 15.222 11.171 84 H GLU 12 H GLU 12 16.776 17.021 12.751 85 HA GLU 12 HA GLU 12 16.755 19.555 11.246 86 HB2 GLU 12 HB2 GLU 12 15.779 19.878 13.439 87 HB3 GLU 12 HB3 GLU 12 17.155 19.098 14.206 88 HG2 GLU 12 HG2 GLU 12 18.597 20.926 13.349 89 HG3 GLU 12 HG3 GLU 12 17.148 21.729 12.748 90 H VAL 13 H VAL 13 18.685 20.484 10.710 91 HA VAL 13 HA VAL 13 20.947 18.828 10.458 92 HB VAL 13 HB VAL 13 20.782 21.838 10.247 93 HG11 VAL 13 HG11 VAL 13 22.883 19.927 9.230 94 HG12 VAL 13 HG12 VAL 13 22.829 21.664 8.922 95 HG13 VAL 13 HG13 VAL 13 23.075 21.065 10.563 96 HG21 VAL 13 HG21 VAL 13 20.547 21.481 7.863 97 HG22 VAL 13 HG22 VAL 13 20.647 19.735 8.088 98 HG23 VAL 13 HG23 VAL 13 19.265 20.628 8.724 99 H ILE 14 H ILE 14 22.765 18.587 11.648 100 HA ILE 14 HA ILE 14 22.945 20.134 14.152 101 HB ILE 14 HB ILE 14 22.378 17.775 14.560 102 HG12 ILE 14 HG12 ILE 14 25.229 18.340 15.387 103 HG13 ILE 14 HG13 ILE 14 23.834 19.123 16.121 104 HG21 ILE 14 HG21 ILE 14 25.023 17.176 13.242 105 HG22 ILE 14 HG22 ILE 14 23.972 16.007 14.041 106 HG23 ILE 14 HG23 ILE 14 23.432 16.818 12.571 107 HD11 ILE 14 HD11 ILE 14 23.832 17.449 17.573 108 HD12 ILE 14 HD12 ILE 14 23.229 16.435 16.262 109 HD13 ILE 14 HD13 ILE 14 24.958 16.503 16.600 110 H GLU 15 H GLU 15 24.630 18.814 11.397 111 HA GLU 15 HA GLU 15 26.946 20.478 12.078 112 HB2 GLU 15 HB2 GLU 15 26.907 17.540 11.675 113 HB3 GLU 15 HB3 GLU 15 28.222 18.418 10.907 114 HG2 GLU 15 HG2 GLU 15 28.889 19.345 13.043 115 HG3 GLU 15 HG3 GLU 15 27.533 18.543 13.834 116 H ASN 16 H ASN 16 28.299 21.003 10.235 117 HA ASN 16 HA ASN 16 27.064 20.567 7.615 118 HB2 ASN 16 HB2 ASN 16 26.140 22.669 8.093 119 HB3 ASN 16 HB3 ASN 16 27.594 23.225 8.915 120 HD21 ASN 16 HD21 ASN 16 27.794 25.069 7.699 121 HD22 ASN 16 HD22 ASN 16 28.244 25.051 6.031 122 H LEU 17 H LEU 17 28.572 19.740 6.342 123 HA LEU 17 HA LEU 17 31.322 20.768 6.558 124 HB2 LEU 17 HB2 LEU 17 30.325 17.976 6.576 125 HB3 LEU 17 HB3 LEU 17 31.808 18.299 5.681 126 HG LEU 17 HG LEU 17 32.555 19.432 7.924 127 HD11 LEU 17 HD11 LEU 17 31.292 17.473 9.518 128 HD12 LEU 17 HD12 LEU 17 30.027 18.331 8.638 129 HD13 LEU 17 HD13 LEU 17 31.168 19.228 9.639 130 HD21 LEU 17 HD21 LEU 17 32.467 16.515 7.246 131 HD22 LEU 17 HD22 LEU 17 33.255 17.081 8.719 132 HD23 LEU 17 HD23 LEU 17 33.819 17.644 7.145 133 HA PRO 18 HA PRO 18 31.287 21.388 2.215 134 HB2 PRO 18 HB2 PRO 18 33.806 20.672 1.499 135 HB3 PRO 18 HB3 PRO 18 33.447 22.149 2.400 136 HG2 PRO 18 HG2 PRO 18 34.431 19.507 3.407 137 HG3 PRO 18 HG3 PRO 18 34.954 21.141 3.857 138 HD2 PRO 18 HD2 PRO 18 33.255 19.684 5.381 139 HD3 PRO 18 HD3 PRO 18 33.172 21.455 5.284 140 H ASN 19 H ASN 19 32.331 20.189 0.114 141 HA ASN 19 HA ASN 19 32.125 18.452 -1.340 142 HB2 ASN 19 HB2 ASN 19 32.144 16.581 1.023 143 HB3 ASN 19 HB3 ASN 19 32.718 16.277 -0.614 144 HD21 ASN 19 HD21 ASN 19 34.505 17.814 -1.317 145 HD22 ASN 19 HD22 ASN 19 35.754 18.104 -0.159 146 H ALA 20 H ALA 20 29.769 19.703 -0.185 147 HA ALA 20 HA ALA 20 27.504 19.475 -0.145 148 HB1 ALA 20 HB1 ALA 20 26.676 18.534 -2.007 149 HB2 ALA 20 HB2 ALA 20 28.371 18.288 -2.427 150 HB3 ALA 20 HB3 ALA 20 27.448 16.980 -1.688 151 H THR 21 H THR 21 28.872 18.341 2.038 152 HA THR 21 HA THR 21 27.280 15.935 2.627 153 HB THR 21 HB THR 21 28.897 15.349 4.310 154 HG1 THR 21 HG1 THR 21 30.123 17.844 3.673 155 HG21 THR 21 HG21 THR 21 30.944 15.106 2.935 156 HG22 THR 21 HG22 THR 21 30.247 16.213 1.751 157 HG23 THR 21 HG23 THR 21 29.478 14.658 2.064 158 H PHE 22 H PHE 22 25.992 15.845 4.425 159 HA PHE 22 HA PHE 22 26.017 17.974 6.379 160 HB2 PHE 22 HB2 PHE 22 23.871 17.715 4.310 161 HB3 PHE 22 HB3 PHE 22 23.433 18.235 5.934 162 HD1 PHE 22 HD2 PHE 22 24.423 20.314 6.866 163 HD2 PHE 22 HD1 PHE 22 24.954 19.171 2.801 164 HE1 PHE 22 HE2 PHE 22 25.092 22.616 6.310 165 HE2 PHE 22 HE1 PHE 22 25.625 21.470 2.238 166 HZ PHE 22 HZ PHE 22 25.693 23.197 3.994 167 H ARG 23 H ARG 23 24.831 17.484 8.261 168 HA ARG 23 HA ARG 23 23.751 14.748 8.383 169 HB2 ARG 23 HB2 ARG 23 25.870 16.022 10.014 170 HB3 ARG 23 HB3 ARG 23 24.690 15.059 10.893 171 HG2 ARG 23 HG2 ARG 23 25.181 13.185 9.292 172 HG3 ARG 23 HG3 ARG 23 26.523 14.160 8.688 173 HD2 ARG 23 HD2 ARG 23 27.277 14.294 11.131 174 HD3 ARG 23 HD3 ARG 23 26.142 12.977 11.421 175 HE ARG 23 HE ARG 23 27.989 12.482 9.270 176 HH11 ARG 23 HH11 ARG 23 27.442 12.256 12.701 177 HH12 ARG 23 HH12 ARG 23 28.586 10.976 12.931 178 HH21 ARG 23 HH21 ARG 23 29.499 10.796 9.560 179 HH22 ARG 23 HH22 ARG 23 29.756 10.147 11.144 180 H VAL 24 H VAL 24 21.891 14.477 9.514 181 HA VAL 24 HA VAL 24 20.867 16.742 11.078 182 HB VAL 24 HB VAL 24 18.621 16.430 10.107 183 HG11 VAL 24 HG11 VAL 24 19.754 17.016 7.608 184 HG12 VAL 24 HG12 VAL 24 19.251 18.156 8.858 185 HG13 VAL 24 HG13 VAL 24 20.915 17.571 8.814 186 HG21 VAL 24 HG21 VAL 24 18.181 15.030 8.282 187 HG22 VAL 24 HG22 VAL 24 19.894 14.783 7.942 188 HG23 VAL 24 HG23 VAL 24 19.160 14.040 9.364 189 H LYS 25 H LYS 25 19.479 16.206 12.762 190 HA LYS 25 HA LYS 25 19.537 13.375 13.522 191 HB2 LYS 25 HB2 LYS 25 20.482 14.769 15.204 192 HB3 LYS 25 HB3 LYS 25 19.148 15.910 15.106 193 HG2 LYS 25 HG2 LYS 25 17.649 14.332 16.116 194 HG3 LYS 25 HG3 LYS 25 18.884 13.072 16.075 195 HD2 LYS 25 HD2 LYS 25 19.261 13.729 18.199 196 HD3 LYS 25 HD3 LYS 25 20.197 15.011 17.428 197 HE2 LYS 25 HE2 LYS 25 17.273 15.401 17.875 198 HE3 LYS 25 HE3 LYS 25 18.382 15.576 19.234 199 HZ1 LYS 25 HZ1 LYS 25 19.502 16.990 17.144 200 HZ2 LYS 25 HZ2 LYS 25 18.767 17.625 18.528 201 HZ3 LYS 25 HZ3 LYS 25 17.858 17.386 17.122 202 H LEU 26 H LEU 26 17.744 12.174 13.605 203 HA LEU 26 HA LEU 26 15.247 13.317 12.729 204 HB2 LEU 26 HB2 LEU 26 15.757 10.502 13.665 205 HB3 LEU 26 HB3 LEU 26 14.430 11.075 12.656 206 HG LEU 26 HG LEU 26 15.747 10.066 11.083 207 HD11 LEU 26 HD11 LEU 26 17.310 12.595 10.999 208 HD12 LEU 26 HD12 LEU 26 15.558 12.678 10.828 209 HD13 LEU 26 HD13 LEU 26 16.509 11.715 9.697 210 HD21 LEU 26 HD21 LEU 26 17.834 9.374 11.453 211 HD22 LEU 26 HD22 LEU 26 17.663 10.060 13.069 212 HD23 LEU 26 HD23 LEU 26 18.405 11.010 11.781 213 H GLU 27 H GLU 27 13.662 11.345 14.280 214 HA GLU 27 HA GLU 27 13.197 13.032 16.589 215 HB2 GLU 27 HB2 GLU 27 11.201 11.652 16.932 216 HB3 GLU 27 HB3 GLU 27 11.289 12.248 15.281 217 HG2 GLU 27 HG2 GLU 27 12.183 10.066 14.570 218 HG3 GLU 27 HG3 GLU 27 11.994 9.478 16.221 219 H ASN 28 H ASN 28 14.250 9.737 15.899 220 HA ASN 28 HA ASN 28 14.266 8.782 18.544 221 HB2 ASN 28 HB2 ASN 28 16.166 7.911 16.364 222 HB3 ASN 28 HB3 ASN 28 15.581 6.961 17.727 223 HD21 ASN 28 HD21 ASN 28 12.900 7.508 17.660 224 HD22 ASN 28 HD22 ASN 28 12.216 6.869 16.207 225 H GLY 29 H GLY 29 16.260 11.051 16.976 226 HA2 GLY 29 HA2 GLY 29 17.749 12.422 18.256 227 HA3 GLY 29 HA3 GLY 29 18.066 11.043 19.297 228 H HIS 30 H HIS 30 18.217 9.448 16.641 229 HA HIS 30 HA HIS 30 21.055 9.506 16.455 230 HB2 HIS 30 HB2 HIS 30 19.031 8.163 14.651 231 HB3 HIS 30 HB3 HIS 30 20.762 7.837 14.669 232 HD1 HIS 30 HD1 HIS 30 21.611 7.050 17.225 233 HD2 HIS 30 HD2 HIS 30 17.646 6.410 16.160 234 HE1 HIS 30 HE1 HIS 30 20.769 5.279 18.800 235 H VAL 31 H VAL 31 22.386 10.317 14.882 236 HA VAL 31 HA VAL 31 21.173 12.312 13.105 237 HB VAL 31 HB VAL 31 23.480 13.205 12.872 238 HG11 VAL 31 HG11 VAL 31 22.389 14.452 14.428 239 HG12 VAL 31 HG12 VAL 31 22.017 13.059 15.446 240 HG13 VAL 31 HG13 VAL 31 23.634 13.762 15.469 241 HG21 VAL 31 HG21 VAL 31 24.142 10.724 14.121 242 HG22 VAL 31 HG22 VAL 31 25.219 11.946 13.445 243 HG23 VAL 31 HG23 VAL 31 24.715 12.050 15.132 244 H VAL 32 H VAL 32 21.074 11.982 10.985 245 HA VAL 32 HA VAL 32 22.568 9.723 9.849 246 HB VAL 32 HB VAL 32 20.978 9.765 8.007 247 HG11 VAL 32 HG11 VAL 32 18.846 9.380 9.407 248 HG12 VAL 32 HG12 VAL 32 20.249 8.351 9.705 249 HG13 VAL 32 HG13 VAL 32 19.887 9.689 10.796 250 HG21 VAL 32 HG21 VAL 32 18.938 11.462 8.899 251 HG22 VAL 32 HG22 VAL 32 20.427 12.401 9.020 252 HG23 VAL 32 HG23 VAL 32 19.965 11.674 7.480 253 H LEU 33 H LEU 33 23.935 9.959 8.137 254 HA LEU 33 HA LEU 33 24.606 12.721 7.394 255 HB2 LEU 33 HB2 LEU 33 26.484 11.648 8.321 256 HB3 LEU 33 HB3 LEU 33 26.184 10.167 7.415 257 HG LEU 33 HG LEU 33 26.795 11.391 5.334 258 HD11 LEU 33 HD11 LEU 33 28.153 13.507 6.861 259 HD12 LEU 33 HD12 LEU 33 26.399 13.650 6.753 260 HD13 LEU 33 HD13 LEU 33 27.368 13.565 5.282 261 HD21 LEU 33 HD21 LEU 33 28.433 9.986 6.381 262 HD22 LEU 33 HD22 LEU 33 28.838 11.247 7.546 263 HD23 LEU 33 HD23 LEU 33 29.229 11.464 5.839 264 H GLY 34 H GLY 34 24.486 13.413 5.328 265 HA2 GLY 34 HA2 GLY 34 24.352 11.558 3.117 266 HA3 GLY 34 HA3 GLY 34 22.830 12.368 3.458 267 H HIS 35 H HIS 35 23.415 12.978 1.110 268 HA HIS 35 HA HIS 35 24.861 15.543 1.194 269 HB2 HIS 35 HB2 HIS 35 25.657 15.167 -1.064 270 HB3 HIS 35 HB3 HIS 35 26.131 13.806 -0.050 271 HD1 HIS 35 HD1 HIS 35 24.293 11.709 -0.230 272 HD2 HIS 35 HD2 HIS 35 24.554 14.384 -3.398 273 HE1 HIS 35 HE1 HIS 35 23.280 10.519 -2.200 274 H ILE 36 H ILE 36 23.998 17.245 0.005 275 HA ILE 36 HA ILE 36 21.184 16.886 -0.746 276 HB ILE 36 HB ILE 36 21.718 18.610 0.961 277 HG12 ILE 36 HG12 ILE 36 19.858 18.708 -0.947 278 HG13 ILE 36 HG13 ILE 36 20.061 20.008 0.221 279 HG21 ILE 36 HG21 ILE 36 23.224 19.861 -1.327 280 HG22 ILE 36 HG22 ILE 36 22.751 20.736 0.129 281 HG23 ILE 36 HG23 ILE 36 23.859 19.369 0.243 282 HD11 ILE 36 HD11 ILE 36 21.530 20.090 -2.374 283 HD12 ILE 36 HD12 ILE 36 19.833 20.565 -2.290 284 HD13 ILE 36 HD13 ILE 36 21.036 21.415 -1.320 285 H SER 37 H SER 37 20.384 17.562 -2.719 286 HA SER 37 HA SER 37 22.241 18.647 -4.691 287 HB2 SER 37 HB2 SER 37 20.641 16.139 -5.245 288 HB3 SER 37 HB3 SER 37 21.780 16.932 -6.333 289 HG SER 37 HG SER 37 22.382 15.675 -3.860 290 H GLY 38 H GLY 38 21.213 19.598 -6.515 291 HA2 GLY 38 HA2 GLY 38 18.657 19.631 -7.341 292 HA3 GLY 38 HA3 GLY 38 18.569 20.613 -5.886 293 H LYS 39 H LYS 39 17.797 21.913 -7.999 294 HA LYS 39 HA LYS 39 19.960 23.185 -9.413 295 HB2 LYS 39 HB2 LYS 39 16.996 23.774 -9.326 296 HB3 LYS 39 HB3 LYS 39 18.141 24.599 -10.376 297 HG2 LYS 39 HG2 LYS 39 18.720 22.223 -11.213 298 HG3 LYS 39 HG3 LYS 39 17.176 21.774 -10.486 299 HD2 LYS 39 HD2 LYS 39 17.538 23.978 -12.514 300 HD3 LYS 39 HD3 LYS 39 17.014 22.337 -12.901 301 HE2 LYS 39 HE2 LYS 39 15.587 24.161 -10.971 302 HE3 LYS 39 HE3 LYS 39 15.158 23.994 -12.672 303 HZ1 LYS 39 HZ1 LYS 39 15.230 21.716 -10.774 304 HZ2 LYS 39 HZ2 LYS 39 14.599 21.726 -12.343 305 HZ3 LYS 39 HZ3 LYS 39 13.829 22.601 -11.117 306 H MET 40 H MET 40 18.250 23.712 -6.487 307 HA MET 40 HA MET 40 18.856 26.538 -6.339 308 HB2 MET 40 HB2 MET 40 16.802 25.793 -5.323 309 HB3 MET 40 HB3 MET 40 17.660 24.609 -4.346 310 HG2 MET 40 HG2 MET 40 17.003 26.539 -3.027 311 HG3 MET 40 HG3 MET 40 18.756 26.388 -3.114 312 HE1 MET 40 HE1 MET 40 18.346 29.598 -2.331 313 HE2 MET 40 HE2 MET 40 16.850 30.057 -3.144 314 HE3 MET 40 HE3 MET 40 16.914 28.580 -2.181 315 H ARG 41 H ARG 41 20.375 23.579 -5.530 316 HA ARG 41 HA ARG 41 22.056 24.644 -3.450 317 HB2 ARG 41 HB2 ARG 41 21.473 22.284 -3.423 318 HB3 ARG 41 HB3 ARG 41 22.196 22.060 -5.011 319 HG2 ARG 41 HG2 ARG 41 23.986 23.176 -2.964 320 HG3 ARG 41 HG3 ARG 41 23.441 21.522 -2.681 321 HD2 ARG 41 HD2 ARG 41 24.146 21.000 -5.038 322 HD3 ARG 41 HD3 ARG 41 24.888 22.599 -5.092 323 HE ARG 41 HE ARG 41 25.740 20.982 -2.868 324 HH11 ARG 41 HH11 ARG 41 26.301 21.814 -6.202 325 HH12 ARG 41 HH12 ARG 41 27.964 21.328 -6.179 326 HH21 ARG 41 HH21 ARG 41 27.928 20.339 -2.825 327 HH22 ARG 41 HH22 ARG 41 28.888 20.489 -4.258 328 H MET 42 H MET 42 22.078 24.642 -6.857 329 HA MET 42 HA MET 42 24.959 24.948 -7.080 330 HB2 MET 42 HB2 MET 42 22.706 24.541 -8.946 331 HB3 MET 42 HB3 MET 42 24.020 25.536 -9.556 332 HG2 MET 42 HG2 MET 42 24.521 23.353 -10.230 333 HG3 MET 42 HG3 MET 42 25.578 23.674 -8.857 334 HE1 MET 42 HE1 MET 42 22.857 20.204 -9.392 335 HE2 MET 42 HE2 MET 42 22.835 21.642 -10.412 336 HE3 MET 42 HE3 MET 42 24.318 20.701 -10.247 337 H HIS 43 H HIS 43 22.765 26.909 -5.905 338 HA HIS 43 HA HIS 43 23.664 29.306 -7.350 339 HB2 HIS 43 HB2 HIS 43 21.217 28.670 -5.744 340 HB3 HIS 43 HB3 HIS 43 21.745 30.344 -5.890 341 HD1 HIS 43 HD1 HIS 43 21.698 27.666 -8.582 342 HD2 HIS 43 HD2 HIS 43 19.987 31.347 -7.700 343 HE1 HIS 43 HE1 HIS 43 20.365 28.294 -10.621 344 H TYR 44 H TYR 44 25.138 27.754 -5.251 345 HA TYR 44 HA TYR 44 26.511 28.176 -3.488 346 HB2 TYR 44 HB2 TYR 44 25.901 31.101 -3.907 347 HB3 TYR 44 HB3 TYR 44 27.350 30.391 -3.205 348 HD1 TYR 44 HD2 TYR 44 28.866 29.021 -4.723 349 HD2 TYR 44 HD1 TYR 44 25.770 31.531 -6.211 350 HE1 TYR 44 HE2 TYR 44 29.949 29.037 -6.931 351 HE2 TYR 44 HE1 TYR 44 26.844 31.554 -8.424 352 HH TYR 44 HH TYR 44 28.998 29.434 -9.443 353 H ILE 45 H ILE 45 24.447 27.223 -2.439 354 HA ILE 45 HA ILE 45 22.791 28.920 -0.883 355 HB ILE 45 HB ILE 45 22.105 26.872 0.295 356 HG12 ILE 45 HG12 ILE 45 23.163 24.730 -0.899 357 HG13 ILE 45 HG13 ILE 45 24.541 25.814 -1.053 358 HG21 ILE 45 HG21 ILE 45 20.946 27.342 -1.717 359 HG22 ILE 45 HG22 ILE 45 22.278 26.742 -2.705 360 HG23 ILE 45 HG23 ILE 45 21.317 25.618 -1.744 361 HD11 ILE 45 HD11 ILE 45 24.125 24.222 1.058 362 HD12 ILE 45 HD12 ILE 45 24.999 25.752 1.147 363 HD13 ILE 45 HD13 ILE 45 23.300 25.678 1.612 364 H ARG 46 H ARG 46 22.690 28.185 1.631 365 HA ARG 46 HA ARG 46 25.300 28.062 2.859 366 HB2 ARG 46 HB2 ARG 46 23.646 30.569 2.871 367 HB3 ARG 46 HB3 ARG 46 24.717 30.196 4.215 368 HG2 ARG 46 HG2 ARG 46 26.589 30.025 2.569 369 HG3 ARG 46 HG3 ARG 46 25.477 30.629 1.339 370 HD2 ARG 46 HD2 ARG 46 25.872 32.125 3.901 371 HD3 ARG 46 HD3 ARG 46 27.028 32.294 2.581 372 HE ARG 46 HE ARG 46 24.421 32.671 1.594 373 HH11 ARG 46 HH11 ARG 46 26.794 34.229 3.610 374 HH12 ARG 46 HH12 ARG 46 26.231 35.830 3.260 375 HH21 ARG 46 HH21 ARG 46 23.670 34.774 1.126 376 HH22 ARG 46 HH22 ARG 46 24.453 36.139 1.848 377 H ILE 47 H ILE 47 23.956 26.090 3.403 378 HA ILE 47 HA ILE 47 21.788 26.350 5.235 379 HB ILE 47 HB ILE 47 23.549 23.962 4.667 380 HG12 ILE 47 HG12 ILE 47 20.763 24.067 3.694 381 HG13 ILE 47 HG13 ILE 47 21.870 25.198 2.923 382 HG21 ILE 47 HG21 ILE 47 21.468 22.743 5.545 383 HG22 ILE 47 HG22 ILE 47 22.545 23.497 6.719 384 HG23 ILE 47 HG23 ILE 47 21.037 24.292 6.268 385 HD11 ILE 47 HD11 ILE 47 23.330 22.925 2.850 386 HD12 ILE 47 HD12 ILE 47 21.693 22.284 2.708 387 HD13 ILE 47 HD13 ILE 47 22.275 23.481 1.551 388 H LEU 48 H LEU 48 21.741 26.104 7.448 389 HA LEU 48 HA LEU 48 24.345 26.035 8.820 390 HB2 LEU 48 HB2 LEU 48 23.815 27.803 10.186 391 HB3 LEU 48 HB3 LEU 48 23.100 28.305 8.656 392 HG LEU 48 HG LEU 48 21.597 27.097 10.978 393 HD11 LEU 48 HD11 LEU 48 20.613 29.384 11.132 394 HD12 LEU 48 HD12 LEU 48 21.846 29.934 9.998 395 HD13 LEU 48 HD13 LEU 48 22.318 29.294 11.573 396 HD21 LEU 48 HD21 LEU 48 19.747 28.272 9.405 397 HD22 LEU 48 HD22 LEU 48 20.173 26.563 9.317 398 HD23 LEU 48 HD23 LEU 48 20.892 27.711 8.186 399 HA PRO 49 HA PRO 49 22.709 22.861 11.373 400 HB2 PRO 49 HB2 PRO 49 23.970 23.365 13.724 401 HB3 PRO 49 HB3 PRO 49 24.800 22.700 12.312 402 HG2 PRO 49 HG2 PRO 49 24.716 25.523 13.304 403 HG3 PRO 49 HG3 PRO 49 26.095 24.594 12.689 404 HD2 PRO 49 HD2 PRO 49 24.765 26.401 11.175 405 HD3 PRO 49 HD3 PRO 49 25.510 24.944 10.487 406 H GLY 50 H GLY 50 20.685 22.784 12.114 407 HA2 GLY 50 HA2 GLY 50 19.373 23.195 14.196 408 HA3 GLY 50 HA3 GLY 50 19.816 24.884 14.004 409 H ASP 51 H ASP 51 19.255 23.417 11.029 410 HA ASP 51 HA ASP 51 16.619 24.699 10.878 411 HB2 ASP 51 HB2 ASP 51 18.343 25.446 9.265 412 HB3 ASP 51 HB3 ASP 51 18.444 23.804 8.637 413 H LYS 52 H LYS 52 14.809 23.611 10.218 414 HA LYS 52 HA LYS 52 14.855 20.748 10.532 415 HB2 LYS 52 HB2 LYS 52 13.012 22.568 11.181 416 HB3 LYS 52 HB3 LYS 52 12.409 22.153 9.582 417 HG2 LYS 52 HG2 LYS 52 11.866 20.011 10.189 418 HG3 LYS 52 HG3 LYS 52 13.057 19.962 11.491 419 HD2 LYS 52 HD2 LYS 52 10.878 21.941 11.769 420 HD3 LYS 52 HD3 LYS 52 10.421 20.242 11.914 421 HE2 LYS 52 HE2 LYS 52 12.242 19.978 13.601 422 HE3 LYS 52 HE3 LYS 52 12.492 21.721 13.531 423 HZ1 LYS 52 HZ1 LYS 52 9.760 21.201 13.937 424 HZ2 LYS 52 HZ2 LYS 52 10.845 21.997 14.962 425 HZ3 LYS 52 HZ3 LYS 52 10.648 20.321 15.077 426 H VAL 53 H VAL 53 15.196 19.348 8.948 427 HA VAL 53 HA VAL 53 14.236 19.968 6.250 428 HB VAL 53 HB VAL 53 16.286 19.241 5.203 429 HG11 VAL 53 HG11 VAL 53 17.604 21.135 5.600 430 HG12 VAL 53 HG12 VAL 53 15.971 21.637 6.044 431 HG13 VAL 53 HG13 VAL 53 17.136 21.214 7.299 432 HG21 VAL 53 HG21 VAL 53 18.325 18.876 6.650 433 HG22 VAL 53 HG22 VAL 53 17.224 18.757 8.022 434 HG23 VAL 53 HG23 VAL 53 17.110 17.598 6.698 435 H THR 54 H THR 54 14.172 18.049 4.841 436 HA THR 54 HA THR 54 13.445 15.680 6.406 437 HB THR 54 HB THR 54 12.878 16.152 3.479 438 HG1 THR 54 HG1 THR 54 11.347 17.474 4.077 439 HG21 THR 54 HG21 THR 54 11.134 14.491 3.811 440 HG22 THR 54 HG22 THR 54 11.547 14.369 5.521 441 HG23 THR 54 HG23 THR 54 12.695 13.832 4.296 442 H VAL 55 H VAL 55 14.257 13.640 5.961 443 HA VAL 55 HA VAL 55 16.385 13.418 3.960 444 HB VAL 55 HB VAL 55 17.724 12.084 5.677 445 HG11 VAL 55 HG11 VAL 55 18.960 13.969 6.303 446 HG12 VAL 55 HG12 VAL 55 18.163 14.450 4.804 447 HG13 VAL 55 HG13 VAL 55 17.530 15.000 6.356 448 HG21 VAL 55 HG21 VAL 55 17.067 11.949 7.804 449 HG22 VAL 55 HG22 VAL 55 16.718 13.675 7.886 450 HG23 VAL 55 HG23 VAL 55 15.504 12.559 7.260 451 H GLU 56 H GLU 56 16.458 11.484 2.945 452 HA GLU 56 HA GLU 56 14.461 9.496 3.756 453 HB2 GLU 56 HB2 GLU 56 15.213 10.577 1.254 454 HB3 GLU 56 HB3 GLU 56 15.706 8.889 1.242 455 HG2 GLU 56 HG2 GLU 56 13.305 8.460 2.139 456 HG3 GLU 56 HG3 GLU 56 12.975 10.060 1.476 457 H LEU 57 H LEU 57 15.117 7.748 4.802 458 HA LEU 57 HA LEU 57 17.854 6.766 4.329 459 HB2 LEU 57 HB2 LEU 57 17.623 7.766 6.547 460 HB3 LEU 57 HB3 LEU 57 16.270 6.691 6.894 461 HG LEU 57 HG LEU 57 18.128 4.848 6.379 462 HD11 LEU 57 HD11 LEU 57 20.153 5.939 7.766 463 HD12 LEU 57 HD12 LEU 57 19.601 7.354 6.870 464 HD13 LEU 57 HD13 LEU 57 20.088 5.897 6.004 465 HD21 LEU 57 HD21 LEU 57 18.464 5.934 9.073 466 HD22 LEU 57 HD22 LEU 57 17.872 4.358 8.548 467 HD23 LEU 57 HD23 LEU 57 16.781 5.745 8.579 468 H THR 58 H THR 58 18.114 4.634 3.918 469 HA THR 58 HA THR 58 15.668 3.043 3.638 470 HB THR 58 HB THR 58 17.437 1.481 2.427 471 HG1 THR 58 HG1 THR 58 19.256 2.453 1.916 472 HG21 THR 58 HG21 THR 58 15.726 3.674 1.565 473 HG22 THR 58 HG22 THR 58 15.939 2.067 0.869 474 HG23 THR 58 HG23 THR 58 17.053 3.367 0.445 475 HA PRO 59 HA PRO 59 16.650 0.236 6.866 476 HB2 PRO 59 HB2 PRO 59 15.880 -2.144 5.811 477 HB3 PRO 59 HB3 PRO 59 14.730 -0.904 6.324 478 HG2 PRO 59 HG2 PRO 59 15.728 -1.540 3.574 479 HG3 PRO 59 HG3 PRO 59 14.078 -1.169 4.108 480 HD2 PRO 59 HD2 PRO 59 15.668 0.666 2.910 481 HD3 PRO 59 HD3 PRO 59 14.463 1.103 4.138 482 H TYR 60 H TYR 60 18.020 -0.323 3.710 483 HA TYR 60 HA TYR 60 19.692 -2.486 4.224 484 HB2 TYR 60 HB2 TYR 60 20.335 -0.122 2.452 485 HB3 TYR 60 HB3 TYR 60 21.008 -1.744 2.330 486 HD1 TYR 60 HD2 TYR 60 18.992 -3.610 2.235 487 HD2 TYR 60 HD1 TYR 60 18.790 0.403 0.835 488 HE1 TYR 60 HE2 TYR 60 17.187 -4.246 0.691 489 HE2 TYR 60 HE1 TYR 60 16.983 -0.222 -0.712 490 HH TYR 60 HH TYR 60 15.890 -3.581 -1.000 491 H ASP 61 H ASP 61 19.911 0.802 5.265 492 HA ASP 61 HA ASP 61 21.943 0.244 7.143 493 HB2 ASP 61 HB2 ASP 61 23.243 0.339 4.938 494 HB3 ASP 61 HB3 ASP 61 22.886 2.063 4.932 495 H LEU 62 H LEU 62 21.607 1.593 8.779 496 HA LEU 62 HA LEU 62 20.043 4.012 8.309 497 HB2 LEU 62 HB2 LEU 62 19.652 4.036 10.676 498 HB3 LEU 62 HB3 LEU 62 19.343 2.417 10.052 499 HG LEU 62 HG LEU 62 22.033 2.943 11.187 500 HD11 LEU 62 HD11 LEU 62 19.495 3.015 12.752 501 HD12 LEU 62 HD12 LEU 62 20.972 3.956 12.957 502 HD13 LEU 62 HD13 LEU 62 20.929 2.264 13.451 503 HD21 LEU 62 HD21 LEU 62 20.501 0.729 10.370 504 HD22 LEU 62 HD22 LEU 62 20.676 0.603 12.121 505 HD23 LEU 62 HD23 LEU 62 22.107 0.728 11.097 506 H SER 63 H SER 63 23.029 3.613 7.794 507 HA SER 63 HA SER 63 23.956 5.924 9.372 508 HB2 SER 63 HB2 SER 63 26.059 4.996 9.608 509 HB3 SER 63 HB3 SER 63 25.068 3.538 9.626 510 HG SER 63 HG SER 63 25.915 2.950 7.790 511 H ARG 64 H ARG 64 22.568 5.745 6.724 512 HA ARG 64 HA ARG 64 24.104 7.720 5.378 513 HB2 ARG 64 HB2 ARG 64 24.453 6.420 3.267 514 HB3 ARG 64 HB3 ARG 64 25.455 5.895 4.614 515 HG2 ARG 64 HG2 ARG 64 23.680 4.118 5.030 516 HG3 ARG 64 HG3 ARG 64 23.056 4.538 3.434 517 HD2 ARG 64 HD2 ARG 64 25.866 3.626 4.040 518 HD3 ARG 64 HD3 ARG 64 24.590 2.625 3.349 519 HE ARG 64 HE ARG 64 26.214 4.533 1.974 520 HH11 ARG 64 HH11 ARG 64 23.091 2.996 2.017 521 HH12 ARG 64 HH12 ARG 64 22.814 3.216 0.321 522 HH21 ARG 64 HH21 ARG 64 25.861 4.830 -0.260 523 HH22 ARG 64 HH22 ARG 64 24.390 4.259 -0.973 524 H ALA 65 H ALA 65 22.539 9.040 4.748 525 HA ALA 65 HA ALA 65 20.221 7.914 3.339 526 HB1 ALA 65 HB1 ALA 65 20.217 9.502 5.821 527 HB2 ALA 65 HB2 ALA 65 19.043 9.983 4.596 528 HB3 ALA 65 HB3 ALA 65 19.044 8.332 5.216 529 H ARG 66 H ARG 66 18.919 9.781 2.301 530 HA ARG 66 HA ARG 66 20.857 11.508 0.933 531 HB2 ARG 66 HB2 ARG 66 19.174 11.712 -0.829 532 HB3 ARG 66 HB3 ARG 66 19.528 10.023 -0.493 533 HG2 ARG 66 HG2 ARG 66 17.484 9.897 0.879 534 HG3 ARG 66 HG3 ARG 66 17.119 11.567 0.441 535 HD2 ARG 66 HD2 ARG 66 17.236 9.154 -1.351 536 HD3 ARG 66 HD3 ARG 66 15.854 10.197 -1.018 537 HE ARG 66 HE ARG 66 17.970 10.666 -2.913 538 HH11 ARG 66 HH11 ARG 66 15.473 12.120 -0.971 539 HH12 ARG 66 HH12 ARG 66 15.325 13.522 -1.978 540 HH21 ARG 66 HH21 ARG 66 17.785 12.508 -4.246 541 HH22 ARG 66 HH22 ARG 66 16.640 13.741 -3.841 542 H ILE 67 H ILE 67 20.786 13.670 1.087 543 HA ILE 67 HA ILE 67 19.079 14.873 3.048 544 HB ILE 67 HB ILE 67 21.007 16.165 1.116 545 HG12 ILE 67 HG12 ILE 67 22.035 14.551 2.704 546 HG13 ILE 67 HG13 ILE 67 22.567 16.207 2.971 547 HG21 ILE 67 HG21 ILE 67 20.913 17.962 2.998 548 HG22 ILE 67 HG22 ILE 67 19.657 17.919 1.762 549 HG23 ILE 67 HG23 ILE 67 19.348 17.233 3.357 550 HD11 ILE 67 HD11 ILE 67 21.794 16.211 5.050 551 HD12 ILE 67 HD12 ILE 67 20.241 15.533 4.560 552 HD13 ILE 67 HD13 ILE 67 21.610 14.466 4.874 553 H VAL 68 H VAL 68 17.182 15.849 2.762 554 HA VAL 68 HA VAL 68 16.338 16.469 0.006 555 HB VAL 68 HB VAL 68 14.412 15.929 2.248 556 HG11 VAL 68 HG11 VAL 68 14.295 16.171 -0.715 557 HG12 VAL 68 HG12 VAL 68 13.152 15.093 0.089 558 HG13 VAL 68 HG13 VAL 68 13.201 16.804 0.514 559 HG21 VAL 68 HG21 VAL 68 14.262 13.601 1.455 560 HG22 VAL 68 HG22 VAL 68 15.638 13.890 0.392 561 HG23 VAL 68 HG23 VAL 68 15.843 13.975 2.141 562 H PHE 69 H PHE 69 14.739 18.232 -0.176 563 HA PHE 69 HA PHE 69 15.646 20.625 0.825 564 HB2 PHE 69 HB2 PHE 69 13.014 19.758 -0.309 565 HB3 PHE 69 HB3 PHE 69 13.175 21.383 0.349 566 HD1 PHE 69 HD2 PHE 69 14.196 19.099 -2.312 567 HD2 PHE 69 HD1 PHE 69 14.562 23.035 -0.734 568 HE1 PHE 69 HE2 PHE 69 15.184 19.854 -4.435 569 HE2 PHE 69 HE1 PHE 69 15.550 23.797 -2.855 570 HZ PHE 69 HZ PHE 69 15.863 22.206 -4.708 571 H ARG 70 H ARG 70 14.453 22.181 2.246 572 HA ARG 70 HA ARG 70 14.385 21.343 4.863 573 HB2 ARG 70 HB2 ARG 70 13.287 23.428 5.397 574 HB3 ARG 70 HB3 ARG 70 14.463 23.709 4.121 575 HG2 ARG 70 HG2 ARG 70 12.643 23.651 2.464 576 HG3 ARG 70 HG3 ARG 70 11.484 23.449 3.779 577 HD2 ARG 70 HD2 ARG 70 11.945 25.594 4.646 578 HD3 ARG 70 HD3 ARG 70 13.400 25.761 3.665 579 HE ARG 70 HE ARG 70 11.297 25.480 1.896 580 HH11 ARG 70 HH11 ARG 70 12.256 27.706 4.395 581 HH12 ARG 70 HH12 ARG 70 11.487 29.071 3.655 582 HH21 ARG 70 HH21 ARG 70 10.281 27.270 0.912 583 HH22 ARG 70 HH22 ARG 70 10.363 28.822 1.674 584 H ALA 71 H ALA 71 12.596 21.149 6.380 585 HA ALA 71 HA ALA 71 10.384 19.637 5.195 586 HB1 ALA 71 HB1 ALA 71 10.007 19.063 7.699 587 HB2 ALA 71 HB2 ALA 71 11.349 18.318 6.828 588 HB3 ALA 71 HB3 ALA 71 11.646 19.684 7.904 589 H LYS 72 H LYS 72 8.279 20.214 5.406 590 HA LYS 72 HA LYS 72 7.753 22.822 6.665 591 HB2 LYS 72 HB2 LYS 72 6.447 21.405 4.349 592 HB3 LYS 72 HB3 LYS 72 5.678 22.761 5.163 593 HG2 LYS 72 HG2 LYS 72 7.216 24.281 4.382 594 HG3 LYS 72 HG3 LYS 72 8.467 23.057 4.151 595 HD2 LYS 72 HD2 LYS 72 7.687 23.760 1.994 596 HD3 LYS 72 HD3 LYS 72 7.111 22.117 2.284 597 HE2 LYS 72 HE2 LYS 72 5.387 23.583 1.293 598 HE3 LYS 72 HE3 LYS 72 4.921 22.940 2.867 599 HZ1 LYS 72 HZ1 LYS 72 4.698 25.497 2.230 600 HZ2 LYS 72 HZ2 LYS 72 6.265 25.522 2.866 601 HZ3 LYS 72 HZ3 LYS 72 4.977 24.972 3.815 Start of MODEL 6 1 H1 MET 1 H MET 1 10.786 -5.789 -4.418 2 HA MET 1 HA MET 1 9.751 -4.089 -2.994 3 HB2 MET 1 HB2 MET 1 7.403 -4.437 -3.555 4 HB3 MET 1 HB3 MET 1 8.431 -4.848 -4.921 5 HG2 MET 1 HG2 MET 1 7.635 -7.021 -3.063 6 HG3 MET 1 HG3 MET 1 6.425 -6.380 -4.172 7 HE1 MET 1 HE1 MET 1 7.913 -6.010 -7.145 8 HE2 MET 1 HE2 MET 1 7.214 -7.588 -7.510 9 HE3 MET 1 HE3 MET 1 6.354 -6.465 -6.455 10 H ALA 2 H ALA 2 10.868 -5.975 -1.174 11 HA ALA 2 HA ALA 2 8.812 -5.864 0.902 12 HB1 ALA 2 HB1 ALA 2 10.177 -8.344 -0.054 13 HB2 ALA 2 HB2 ALA 2 9.691 -8.198 1.636 14 HB3 ALA 2 HB3 ALA 2 8.482 -8.083 0.357 15 H LYS 3 H LYS 3 9.620 -5.737 3.017 16 HA LYS 3 HA LYS 3 11.067 -5.081 4.644 17 HB2 LYS 3 HB2 LYS 3 13.157 -6.478 2.965 18 HB3 LYS 3 HB3 LYS 3 13.281 -6.081 4.674 19 HG2 LYS 3 HG2 LYS 3 11.265 -7.572 5.025 20 HG3 LYS 3 HG3 LYS 3 11.511 -8.123 3.366 21 HD2 LYS 3 HD2 LYS 3 13.778 -8.840 3.938 22 HD3 LYS 3 HD3 LYS 3 13.541 -8.278 5.595 23 HE2 LYS 3 HE2 LYS 3 11.829 -9.910 5.970 24 HE3 LYS 3 HE3 LYS 3 11.829 -10.373 4.269 25 HZ1 LYS 3 HZ1 LYS 3 14.199 -11.059 4.613 26 HZ2 LYS 3 HZ2 LYS 3 13.054 -12.004 5.423 27 HZ3 LYS 3 HZ3 LYS 3 13.956 -10.854 6.274 28 H ASP 4 H ASP 4 10.636 -3.418 2.227 29 HA ASP 4 HA ASP 4 12.907 -2.124 1.325 30 HB2 ASP 4 HB2 ASP 4 11.413 -0.147 0.964 31 HB3 ASP 4 HB3 ASP 4 10.768 -1.658 0.328 32 H ASP 5 H ASP 5 13.992 -0.226 1.952 33 HA ASP 5 HA ASP 5 13.617 0.569 4.762 34 HB2 ASP 5 HB2 ASP 5 16.127 -0.244 3.341 35 HB3 ASP 5 HB3 ASP 5 16.212 0.931 4.650 36 H VAL 6 H VAL 6 12.352 2.044 2.984 37 HA VAL 6 HA VAL 6 14.036 4.444 2.709 38 HB VAL 6 HB VAL 6 12.691 5.029 0.672 39 HG11 VAL 6 HG11 VAL 6 14.690 4.393 -0.120 40 HG12 VAL 6 HG12 VAL 6 14.750 2.960 0.908 41 HG13 VAL 6 HG13 VAL 6 13.853 2.921 -0.610 42 HG21 VAL 6 HG21 VAL 6 12.001 2.359 -0.081 43 HG22 VAL 6 HG22 VAL 6 11.222 2.751 1.451 44 HG23 VAL 6 HG23 VAL 6 10.964 3.780 0.042 45 H ILE 7 H ILE 7 13.275 6.058 3.890 46 HA ILE 7 HA ILE 7 10.418 6.578 3.998 47 HB ILE 7 HB ILE 7 10.385 6.778 6.453 48 HG12 ILE 7 HG12 ILE 7 12.481 5.185 7.315 49 HG13 ILE 7 HG13 ILE 7 13.229 6.215 6.100 50 HG21 ILE 7 HG21 ILE 7 9.623 4.723 5.291 51 HG22 ILE 7 HG22 ILE 7 11.219 4.023 5.561 52 HG23 ILE 7 HG23 ILE 7 10.191 4.431 6.935 53 HD11 ILE 7 HD11 ILE 7 12.225 6.867 8.769 54 HD12 ILE 7 HD12 ILE 7 13.489 7.632 7.806 55 HD13 ILE 7 HD13 ILE 7 11.796 8.028 7.512 56 H GLN 8 H GLN 8 10.002 8.703 3.988 57 HA GLN 8 HA GLN 8 12.267 10.535 4.175 58 HB2 GLN 8 HB2 GLN 8 9.431 11.089 3.288 59 HB3 GLN 8 HB3 GLN 8 10.809 12.168 3.118 60 HG2 GLN 8 HG2 GLN 8 11.780 10.866 1.451 61 HG3 GLN 8 HG3 GLN 8 10.811 9.452 1.863 62 HE21 GLN 8 HE21 GLN 8 8.910 9.143 0.867 63 HE22 GLN 8 HE22 GLN 8 8.209 10.233 -0.275 64 H MET 9 H MET 9 12.560 11.938 5.796 65 HA MET 9 HA MET 9 10.334 12.530 7.602 66 HB2 MET 9 HB2 MET 9 12.929 11.233 8.339 67 HB3 MET 9 HB3 MET 9 12.145 12.307 9.489 68 HG2 MET 9 HG2 MET 9 10.698 10.008 8.221 69 HG3 MET 9 HG3 MET 9 11.666 9.819 9.681 70 HE1 MET 9 HE1 MET 9 7.650 9.972 9.560 71 HE2 MET 9 HE2 MET 9 9.044 8.913 9.350 72 HE3 MET 9 HE3 MET 9 8.435 9.259 10.970 73 H GLN 10 H GLN 10 10.939 14.317 9.158 74 HA GLN 10 HA GLN 10 12.525 16.316 7.702 75 HB2 GLN 10 HB2 GLN 10 10.603 16.913 9.938 76 HB3 GLN 10 HB3 GLN 10 11.197 17.997 8.686 77 HG2 GLN 10 HG2 GLN 10 9.416 15.635 8.147 78 HG3 GLN 10 HG3 GLN 10 8.826 17.274 8.421 79 HE21 GLN 10 HE21 GLN 10 10.283 15.097 6.206 80 HE22 GLN 10 HE22 GLN 10 10.333 16.162 4.847 81 H GLY 11 H GLY 11 14.583 16.048 8.439 82 HA2 GLY 11 HA2 GLY 11 15.032 15.906 11.332 83 HA3 GLY 11 HA3 GLY 11 16.228 15.588 10.084 84 H GLU 12 H GLU 12 17.246 17.061 11.915 85 HA GLU 12 HA GLU 12 17.215 19.784 10.815 86 HB2 GLU 12 HB2 GLU 12 15.904 19.851 12.867 87 HB3 GLU 12 HB3 GLU 12 17.203 19.062 13.750 88 HG2 GLU 12 HG2 GLU 12 18.532 20.947 13.750 89 HG3 GLU 12 HG3 GLU 12 17.711 21.652 12.359 90 H VAL 13 H VAL 13 19.181 20.732 10.597 91 HA VAL 13 HA VAL 13 21.491 19.123 10.609 92 HB VAL 13 HB VAL 13 21.223 22.127 10.464 93 HG11 VAL 13 HG11 VAL 13 23.444 21.600 11.225 94 HG12 VAL 13 HG12 VAL 13 23.623 20.369 9.974 95 HG13 VAL 13 HG13 VAL 13 23.519 22.072 9.528 96 HG21 VAL 13 HG21 VAL 13 21.659 21.742 8.050 97 HG22 VAL 13 HG22 VAL 13 21.564 20.006 8.346 98 HG23 VAL 13 HG23 VAL 13 20.149 21.025 8.612 99 H ILE 14 H ILE 14 22.899 18.639 12.161 100 HA ILE 14 HA ILE 14 22.866 20.255 14.627 101 HB ILE 14 HB ILE 14 21.900 17.976 14.918 102 HG12 ILE 14 HG12 ILE 14 23.338 17.379 16.893 103 HG13 ILE 14 HG13 ILE 14 24.480 18.610 16.364 104 HG21 ILE 14 HG21 ILE 14 24.704 17.046 14.312 105 HG22 ILE 14 HG22 ILE 14 23.362 16.035 14.844 106 HG23 ILE 14 HG23 ILE 14 23.301 16.823 13.268 107 HD11 ILE 14 HD11 ILE 14 22.625 19.094 18.177 108 HD12 ILE 14 HD12 ILE 14 23.144 20.322 17.023 109 HD13 ILE 14 HD13 ILE 14 21.655 19.420 16.741 110 H GLU 15 H GLU 15 24.779 18.571 12.244 111 HA GLU 15 HA GLU 15 27.136 20.029 13.130 112 HB2 GLU 15 HB2 GLU 15 26.757 17.219 13.631 113 HB3 GLU 15 HB3 GLU 15 28.105 17.453 12.528 114 HG2 GLU 15 HG2 GLU 15 29.279 17.679 14.421 115 HG3 GLU 15 HG3 GLU 15 28.671 19.333 14.367 116 H ASN 16 H ASN 16 28.861 20.029 11.537 117 HA ASN 16 HA ASN 16 27.881 19.429 8.822 118 HB2 ASN 16 HB2 ASN 16 29.375 21.376 8.120 119 HB3 ASN 16 HB3 ASN 16 27.901 21.791 8.990 120 HD21 ASN 16 HD21 ASN 16 28.051 22.949 10.800 121 HD22 ASN 16 HD22 ASN 16 29.528 23.371 11.589 122 H LEU 17 H LEU 17 29.331 18.587 7.339 123 HA LEU 17 HA LEU 17 32.043 17.994 8.278 124 HB2 LEU 17 HB2 LEU 17 29.900 16.069 7.651 125 HB3 LEU 17 HB3 LEU 17 31.481 15.708 6.959 126 HG LEU 17 HG LEU 17 32.246 16.124 9.471 127 HD11 LEU 17 HD11 LEU 17 29.422 16.167 9.666 128 HD12 LEU 17 HD12 LEU 17 30.614 16.234 10.963 129 HD13 LEU 17 HD13 LEU 17 29.993 14.676 10.416 130 HD21 LEU 17 HD21 LEU 17 31.757 13.604 9.803 131 HD22 LEU 17 HD22 LEU 17 32.825 14.106 8.493 132 HD23 LEU 17 HD23 LEU 17 31.150 13.674 8.149 133 HA PRO 18 HA PRO 18 33.355 18.964 4.206 134 HB2 PRO 18 HB2 PRO 18 35.348 17.170 3.782 135 HB3 PRO 18 HB3 PRO 18 35.505 18.535 4.894 136 HG2 PRO 18 HG2 PRO 18 34.882 15.668 5.490 137 HG3 PRO 18 HG3 PRO 18 35.973 16.777 6.342 138 HD2 PRO 18 HD2 PRO 18 33.482 16.210 7.238 139 HD3 PRO 18 HD3 PRO 18 34.251 17.790 7.491 140 H ASN 19 H ASN 19 34.205 17.614 2.107 141 HA ASN 19 HA ASN 19 33.580 16.358 0.316 142 HB2 ASN 19 HB2 ASN 19 33.041 14.646 2.639 143 HB3 ASN 19 HB3 ASN 19 32.086 14.236 1.217 144 HD21 ASN 19 HD21 ASN 19 35.004 13.832 2.770 145 HD22 ASN 19 HD22 ASN 19 35.912 13.162 1.462 146 H ALA 20 H ALA 20 31.745 18.384 1.646 147 HA ALA 20 HA ALA 20 29.720 19.325 1.205 148 HB1 ALA 20 HB1 ALA 20 28.861 17.508 -0.901 149 HB2 ALA 20 HB2 ALA 20 29.129 19.251 -0.946 150 HB3 ALA 20 HB3 ALA 20 30.486 18.145 -1.157 151 H THR 21 H THR 21 29.981 17.062 3.054 152 HA THR 21 HA THR 21 27.269 15.927 2.882 153 HB THR 21 HB THR 21 27.989 14.098 4.244 154 HG1 THR 21 HG1 THR 21 29.518 14.475 5.647 155 HG21 THR 21 HG21 THR 21 29.288 12.995 2.713 156 HG22 THR 21 HG22 THR 21 30.385 14.359 2.497 157 HG23 THR 21 HG23 THR 21 28.795 14.376 1.735 158 H PHE 22 H PHE 22 25.848 16.168 4.548 159 HA PHE 22 HA PHE 22 26.757 17.740 6.867 160 HB2 PHE 22 HB2 PHE 22 24.074 17.999 5.496 161 HB3 PHE 22 HB3 PHE 22 24.651 18.951 6.860 162 HD1 PHE 22 HD2 PHE 22 27.384 19.601 6.036 163 HD2 PHE 22 HD1 PHE 22 23.781 19.511 3.772 164 HE1 PHE 22 HE2 PHE 22 28.324 21.259 4.481 165 HE2 PHE 22 HE1 PHE 22 24.716 21.168 2.212 166 HZ PHE 22 HZ PHE 22 26.990 22.045 2.566 167 H ARG 23 H ARG 23 25.650 17.372 8.843 168 HA ARG 23 HA ARG 23 24.278 14.767 8.941 169 HB2 ARG 23 HB2 ARG 23 26.277 16.063 10.733 170 HB3 ARG 23 HB3 ARG 23 25.062 15.026 11.467 171 HG2 ARG 23 HG2 ARG 23 25.824 13.360 9.578 172 HG3 ARG 23 HG3 ARG 23 27.295 14.333 9.637 173 HD2 ARG 23 HD2 ARG 23 26.049 13.207 12.124 174 HD3 ARG 23 HD3 ARG 23 27.160 12.258 11.138 175 HE ARG 23 HE ARG 23 28.213 14.827 11.832 176 HH11 ARG 23 HH11 ARG 23 27.748 11.562 12.948 177 HH12 ARG 23 HH12 ARG 23 29.083 11.610 14.051 178 HH21 ARG 23 HH21 ARG 23 29.973 14.903 13.280 179 HH22 ARG 23 HH22 ARG 23 30.348 13.511 14.239 180 H VAL 24 H VAL 24 22.266 14.687 9.725 181 HA VAL 24 HA VAL 24 21.273 16.944 11.323 182 HB VAL 24 HB VAL 24 19.197 17.028 10.105 183 HG11 VAL 24 HG11 VAL 24 20.787 17.138 7.707 184 HG12 VAL 24 HG12 VAL 24 20.085 18.455 8.649 185 HG13 VAL 24 HG13 VAL 24 21.672 17.814 9.074 186 HG21 VAL 24 HG21 VAL 24 18.993 14.687 9.502 187 HG22 VAL 24 HG22 VAL 24 18.843 15.696 8.063 188 HG23 VAL 24 HG23 VAL 24 20.348 14.834 8.382 189 H LYS 25 H LYS 25 19.879 16.418 12.942 190 HA LYS 25 HA LYS 25 19.615 13.590 13.553 191 HB2 LYS 25 HB2 LYS 25 18.703 14.427 15.726 192 HB3 LYS 25 HB3 LYS 25 20.330 14.987 15.366 193 HG2 LYS 25 HG2 LYS 25 19.501 17.148 14.719 194 HG3 LYS 25 HG3 LYS 25 17.832 16.600 14.894 195 HD2 LYS 25 HD2 LYS 25 18.518 17.914 16.828 196 HD3 LYS 25 HD3 LYS 25 18.208 16.239 17.290 197 HE2 LYS 25 HE2 LYS 25 20.981 16.981 16.530 198 HE3 LYS 25 HE3 LYS 25 20.376 17.550 18.085 199 HZ1 LYS 25 HZ1 LYS 25 21.194 14.927 17.312 200 HZ2 LYS 25 HZ2 LYS 25 19.643 14.920 17.986 201 HZ3 LYS 25 HZ3 LYS 25 20.941 15.562 18.860 202 H LEU 26 H LEU 26 17.816 12.427 13.305 203 HA LEU 26 HA LEU 26 15.497 13.649 12.105 204 HB2 LEU 26 HB2 LEU 26 15.676 10.802 13.028 205 HB3 LEU 26 HB3 LEU 26 14.719 11.476 11.709 206 HG LEU 26 HG LEU 26 17.681 10.937 11.760 207 HD11 LEU 26 HD11 LEU 26 15.602 9.315 11.082 208 HD12 LEU 26 HD12 LEU 26 17.243 9.175 10.452 209 HD13 LEU 26 HD13 LEU 26 16.015 10.040 9.528 210 HD21 LEU 26 HD21 LEU 26 17.145 11.787 9.233 211 HD22 LEU 26 HD22 LEU 26 17.878 12.779 10.494 212 HD23 LEU 26 HD23 LEU 26 16.143 12.878 10.190 213 H GLU 27 H GLU 27 13.672 11.653 13.336 214 HA GLU 27 HA GLU 27 12.913 13.269 15.626 215 HB2 GLU 27 HB2 GLU 27 10.803 12.191 15.519 216 HB3 GLU 27 HB3 GLU 27 11.284 12.489 13.854 217 HG2 GLU 27 HG2 GLU 27 10.535 10.345 13.691 218 HG3 GLU 27 HG3 GLU 27 12.242 10.058 14.021 219 H ASN 28 H ASN 28 14.318 10.177 14.949 220 HA ASN 28 HA ASN 28 13.763 8.986 17.485 221 HB2 ASN 28 HB2 ASN 28 14.485 7.911 15.176 222 HB3 ASN 28 HB3 ASN 28 16.103 8.131 15.835 223 HD21 ASN 28 HD21 ASN 28 12.983 7.174 17.228 224 HD22 ASN 28 HD22 ASN 28 13.558 5.708 17.939 225 H GLY 29 H GLY 29 15.982 11.332 16.410 226 HA2 GLY 29 HA2 GLY 29 17.214 12.607 18.035 227 HA3 GLY 29 HA3 GLY 29 17.404 11.139 18.982 228 H HIS 30 H HIS 30 18.066 9.607 16.498 229 HA HIS 30 HA HIS 30 20.889 9.929 16.637 230 HB2 HIS 30 HB2 HIS 30 20.967 8.165 14.930 231 HB3 HIS 30 HB3 HIS 30 19.860 7.742 16.232 232 HD1 HIS 30 HD1 HIS 30 19.448 6.264 13.688 233 HD2 HIS 30 HD2 HIS 30 17.663 9.945 14.412 234 HE1 HIS 30 HE1 HIS 30 17.456 6.358 12.155 235 H VAL 31 H VAL 31 22.331 10.466 14.916 236 HA VAL 31 HA VAL 31 21.231 12.535 13.152 237 HB VAL 31 HB VAL 31 23.491 13.367 12.916 238 HG11 VAL 31 HG11 VAL 31 23.956 13.978 15.265 239 HG12 VAL 31 HG12 VAL 31 22.254 14.161 14.835 240 HG13 VAL 31 HG13 VAL 31 22.781 12.772 15.786 241 HG21 VAL 31 HG21 VAL 31 25.341 12.324 14.226 242 HG22 VAL 31 HG22 VAL 31 24.274 10.958 14.550 243 HG23 VAL 31 HG23 VAL 31 24.751 11.330 12.894 244 H VAL 32 H VAL 32 21.317 12.401 10.976 245 HA VAL 32 HA VAL 32 22.472 9.943 9.835 246 HB VAL 32 HB VAL 32 20.887 10.122 8.024 247 HG11 VAL 32 HG11 VAL 32 19.464 10.532 10.651 248 HG12 VAL 32 HG12 VAL 32 18.820 9.725 9.220 249 HG13 VAL 32 HG13 VAL 32 20.169 9.011 10.105 250 HG21 VAL 32 HG21 VAL 32 20.538 12.831 9.090 251 HG22 VAL 32 HG22 VAL 32 20.338 12.223 7.447 252 HG23 VAL 32 HG23 VAL 32 19.039 12.027 8.623 253 H LEU 33 H LEU 33 23.847 10.048 8.112 254 HA LEU 33 HA LEU 33 24.823 12.728 7.410 255 HB2 LEU 33 HB2 LEU 33 26.863 11.588 6.666 256 HB3 LEU 33 HB3 LEU 33 26.500 11.284 8.364 257 HG LEU 33 HG LEU 33 25.381 9.102 7.339 258 HD11 LEU 33 HD11 LEU 33 26.968 10.211 5.165 259 HD12 LEU 33 HD12 LEU 33 25.750 8.936 5.146 260 HD13 LEU 33 HD13 LEU 33 27.417 8.556 5.579 261 HD21 LEU 33 HD21 LEU 33 28.267 8.749 7.418 262 HD22 LEU 33 HD22 LEU 33 27.014 8.082 8.465 263 HD23 LEU 33 HD23 LEU 33 27.654 9.697 8.774 264 H GLY 34 H GLY 34 24.724 13.481 5.371 265 HA2 GLY 34 HA2 GLY 34 24.396 11.706 3.116 266 HA3 GLY 34 HA3 GLY 34 22.959 12.644 3.496 267 H HIS 35 H HIS 35 23.621 13.226 1.140 268 HA HIS 35 HA HIS 35 25.254 15.674 1.284 269 HB2 HIS 35 HB2 HIS 35 25.905 15.248 -1.086 270 HB3 HIS 35 HB3 HIS 35 26.516 14.037 0.037 271 HD1 HIS 35 HD1 HIS 35 25.267 11.691 0.004 272 HD2 HIS 35 HD2 HIS 35 24.308 14.281 -3.099 273 HE1 HIS 35 HE1 HIS 35 24.139 10.267 -1.735 274 H ILE 36 H ILE 36 24.552 17.442 0.071 275 HA ILE 36 HA ILE 36 21.720 17.587 -0.317 276 HB ILE 36 HB ILE 36 22.839 19.542 0.512 277 HG12 ILE 36 HG12 ILE 36 22.009 21.227 -1.024 278 HG13 ILE 36 HG13 ILE 36 22.026 20.074 -2.354 279 HG21 ILE 36 HG21 ILE 36 24.762 18.891 -1.531 280 HG22 ILE 36 HG22 ILE 36 24.281 20.583 -1.638 281 HG23 ILE 36 HG23 ILE 36 24.929 19.945 -0.127 282 HD11 ILE 36 HD11 ILE 36 19.890 20.688 -0.704 283 HD12 ILE 36 HD12 ILE 36 20.002 19.341 -1.837 284 HD13 ILE 36 HD13 ILE 36 20.441 19.109 -0.145 285 H SER 37 H SER 37 20.560 17.512 -2.157 286 HA SER 37 HA SER 37 21.988 17.449 -4.722 287 HB2 SER 37 HB2 SER 37 20.233 15.611 -5.349 288 HB3 SER 37 HB3 SER 37 21.684 15.156 -4.455 289 HG SER 37 HG SER 37 19.075 15.027 -3.703 290 H GLY 38 H GLY 38 20.464 17.668 -6.597 291 HA2 GLY 38 HA2 GLY 38 18.327 18.386 -7.432 292 HA3 GLY 38 HA3 GLY 38 18.029 19.161 -5.883 293 H LYS 39 H LYS 39 17.430 20.940 -7.419 294 HA LYS 39 HA LYS 39 19.586 22.313 -8.747 295 HB2 LYS 39 HB2 LYS 39 17.114 22.262 -9.449 296 HB3 LYS 39 HB3 LYS 39 16.858 23.455 -8.183 297 HG2 LYS 39 HG2 LYS 39 18.730 24.780 -9.351 298 HG3 LYS 39 HG3 LYS 39 18.421 23.709 -10.720 299 HD2 LYS 39 HD2 LYS 39 16.301 25.356 -9.345 300 HD3 LYS 39 HD3 LYS 39 17.166 25.868 -10.796 301 HE2 LYS 39 HE2 LYS 39 15.560 23.326 -10.584 302 HE3 LYS 39 HE3 LYS 39 14.934 24.840 -11.233 303 HZ1 LYS 39 HZ1 LYS 39 17.135 23.182 -12.327 304 HZ2 LYS 39 HZ2 LYS 39 16.806 24.752 -12.864 305 HZ3 LYS 39 HZ3 LYS 39 15.647 23.534 -13.053 306 H MET 40 H MET 40 18.097 22.381 -5.635 307 HA MET 40 HA MET 40 18.521 24.955 -4.759 308 HB2 MET 40 HB2 MET 40 18.607 22.297 -3.385 309 HB3 MET 40 HB3 MET 40 19.045 23.747 -2.492 310 HG2 MET 40 HG2 MET 40 16.814 23.557 -2.008 311 HG3 MET 40 HG3 MET 40 16.788 24.662 -3.380 312 HE1 MET 40 HE1 MET 40 15.677 23.080 -6.254 313 HE2 MET 40 HE2 MET 40 14.330 23.692 -5.293 314 HE3 MET 40 HE3 MET 40 15.889 24.517 -5.253 315 H ARG 41 H ARG 41 20.828 22.246 -4.500 316 HA ARG 41 HA ARG 41 22.956 23.579 -3.378 317 HB2 ARG 41 HB2 ARG 41 24.376 21.859 -4.264 318 HB3 ARG 41 HB3 ARG 41 22.833 21.128 -3.845 319 HG2 ARG 41 HG2 ARG 41 22.322 21.652 -6.393 320 HG3 ARG 41 HG3 ARG 41 24.080 21.546 -6.497 321 HD2 ARG 41 HD2 ARG 41 22.692 19.416 -4.981 322 HD3 ARG 41 HD3 ARG 41 22.473 19.421 -6.730 323 HE ARG 41 HE ARG 41 25.217 19.644 -5.892 324 HH11 ARG 41 HH11 ARG 41 22.614 17.464 -6.659 325 HH12 ARG 41 HH12 ARG 41 23.663 16.142 -7.051 326 HH21 ARG 41 HH21 ARG 41 26.608 17.912 -6.405 327 HH22 ARG 41 HH22 ARG 41 25.935 16.397 -6.905 328 H MET 42 H MET 42 21.724 23.806 -6.612 329 HA MET 42 HA MET 42 24.083 25.199 -7.587 330 HB2 MET 42 HB2 MET 42 21.477 24.822 -9.053 331 HB3 MET 42 HB3 MET 42 23.067 25.139 -9.735 332 HG2 MET 42 HG2 MET 42 22.291 22.618 -8.288 333 HG3 MET 42 HG3 MET 42 22.308 22.814 -10.039 334 HE1 MET 42 HE1 MET 42 23.655 21.466 -10.992 335 HE2 MET 42 HE2 MET 42 24.949 22.562 -11.477 336 HE3 MET 42 HE3 MET 42 25.336 21.052 -10.652 337 H HIS 43 H HIS 43 20.847 25.883 -6.474 338 HA HIS 43 HA HIS 43 20.932 28.643 -7.344 339 HB2 HIS 43 HB2 HIS 43 18.929 26.835 -6.150 340 HB3 HIS 43 HB3 HIS 43 18.803 28.521 -5.657 341 HD1 HIS 43 HD1 HIS 43 19.514 29.883 -8.327 342 HD2 HIS 43 HD2 HIS 43 16.901 26.674 -7.960 343 HE1 HIS 43 HE1 HIS 43 18.027 29.993 -10.351 344 H TYR 44 H TYR 44 22.508 27.084 -5.003 345 HA TYR 44 HA TYR 44 23.491 27.653 -3.032 346 HB2 TYR 44 HB2 TYR 44 22.882 30.514 -3.775 347 HB3 TYR 44 HB3 TYR 44 24.207 29.915 -2.782 348 HD1 TYR 44 HD2 TYR 44 25.852 28.262 -4.003 349 HD2 TYR 44 HD1 TYR 44 23.289 31.012 -5.998 350 HE1 TYR 44 HE2 TYR 44 27.301 28.163 -5.988 351 HE2 TYR 44 HE1 TYR 44 24.730 30.919 -7.989 352 HH TYR 44 HH TYR 44 27.523 28.747 -8.136 353 H ILE 45 H ILE 45 21.733 26.699 -1.855 354 HA ILE 45 HA ILE 45 19.669 28.474 -0.834 355 HB ILE 45 HB ILE 45 18.849 26.445 0.358 356 HG12 ILE 45 HG12 ILE 45 20.681 24.758 -1.282 357 HG13 ILE 45 HG13 ILE 45 21.322 25.470 0.194 358 HG21 ILE 45 HG21 ILE 45 17.791 25.576 -1.507 359 HG22 ILE 45 HG22 ILE 45 18.296 27.168 -2.069 360 HG23 ILE 45 HG23 ILE 45 19.223 25.739 -2.523 361 HD11 ILE 45 HD11 ILE 45 20.473 23.198 0.530 362 HD12 ILE 45 HD12 ILE 45 19.600 24.387 1.497 363 HD13 ILE 45 HD13 ILE 45 18.869 23.736 0.030 364 H ARG 46 H ARG 46 19.391 29.017 1.329 365 HA ARG 46 HA ARG 46 21.738 29.482 2.817 366 HB2 ARG 46 HB2 ARG 46 18.813 29.799 3.312 367 HB3 ARG 46 HB3 ARG 46 19.902 29.877 4.691 368 HG2 ARG 46 HG2 ARG 46 20.240 31.571 2.231 369 HG3 ARG 46 HG3 ARG 46 19.310 32.077 3.643 370 HD2 ARG 46 HD2 ARG 46 21.197 32.154 5.008 371 HD3 ARG 46 HD3 ARG 46 22.138 31.131 3.924 372 HE ARG 46 HE ARG 46 22.728 32.995 2.731 373 HH11 ARG 46 HH11 ARG 46 20.043 33.766 4.808 374 HH12 ARG 46 HH12 ARG 46 20.113 35.467 4.486 375 HH21 ARG 46 HH21 ARG 46 22.831 35.232 2.298 376 HH22 ARG 46 HH22 ARG 46 21.699 36.299 3.057 377 H ILE 47 H ILE 47 22.821 28.241 4.199 378 HA ILE 47 HA ILE 47 21.442 25.964 5.447 379 HB ILE 47 HB ILE 47 24.196 25.852 4.209 380 HG12 ILE 47 HG12 ILE 47 21.686 24.356 3.433 381 HG13 ILE 47 HG13 ILE 47 22.266 25.798 2.607 382 HG21 ILE 47 HG21 ILE 47 22.609 23.770 5.703 383 HG22 ILE 47 HG22 ILE 47 24.104 23.458 4.821 384 HG23 ILE 47 HG23 ILE 47 24.114 24.528 6.222 385 HD11 ILE 47 HD11 ILE 47 23.021 24.036 1.296 386 HD12 ILE 47 HD12 ILE 47 24.432 24.487 2.254 387 HD13 ILE 47 HD13 ILE 47 23.483 23.068 2.696 388 H LEU 48 H LEU 48 21.762 25.815 7.574 389 HA LEU 48 HA LEU 48 24.207 26.779 8.793 390 HB2 LEU 48 HB2 LEU 48 21.553 28.099 9.145 391 HB3 LEU 48 HB3 LEU 48 22.680 28.044 10.499 392 HG LEU 48 HG LEU 48 23.288 29.267 7.808 393 HD11 LEU 48 HD11 LEU 48 21.491 30.368 9.292 394 HD12 LEU 48 HD12 LEU 48 22.811 31.364 8.679 395 HD13 LEU 48 HD13 LEU 48 22.841 30.790 10.346 396 HD21 LEU 48 HD21 LEU 48 25.265 28.464 8.974 397 HD22 LEU 48 HD22 LEU 48 24.775 29.327 10.433 398 HD23 LEU 48 HD23 LEU 48 25.215 30.227 8.981 399 HA PRO 49 HA PRO 49 23.463 23.549 11.667 400 HB2 PRO 49 HB2 PRO 49 24.493 24.573 13.961 401 HB3 PRO 49 HB3 PRO 49 25.500 24.049 12.606 402 HG2 PRO 49 HG2 PRO 49 24.623 26.811 13.357 403 HG3 PRO 49 HG3 PRO 49 26.216 26.252 12.815 404 HD2 PRO 49 HD2 PRO 49 24.466 27.490 11.161 405 HD3 PRO 49 HD3 PRO 49 25.597 26.245 10.595 406 H GLY 50 H GLY 50 21.402 23.105 12.199 407 HA2 GLY 50 HA2 GLY 50 19.853 23.087 14.080 408 HA3 GLY 50 HA3 GLY 50 20.137 24.813 14.249 409 H ASP 51 H ASP 51 19.929 23.913 11.014 410 HA ASP 51 HA ASP 51 17.300 25.145 10.809 411 HB2 ASP 51 HB2 ASP 51 19.371 25.655 9.319 412 HB3 ASP 51 HB3 ASP 51 18.917 24.181 8.468 413 H LYS 52 H LYS 52 15.501 24.179 9.893 414 HA LYS 52 HA LYS 52 15.362 21.317 10.191 415 HB2 LYS 52 HB2 LYS 52 13.421 23.524 9.724 416 HB3 LYS 52 HB3 LYS 52 12.944 21.906 9.226 417 HG2 LYS 52 HG2 LYS 52 13.797 21.328 11.677 418 HG3 LYS 52 HG3 LYS 52 13.356 23.018 11.937 419 HD2 LYS 52 HD2 LYS 52 11.125 22.638 11.527 420 HD3 LYS 52 HD3 LYS 52 11.441 21.228 10.513 421 HE2 LYS 52 HE2 LYS 52 11.722 19.824 12.331 422 HE3 LYS 52 HE3 LYS 52 12.107 21.151 13.426 423 HZ1 LYS 52 HZ1 LYS 52 9.509 20.126 12.591 424 HZ2 LYS 52 HZ2 LYS 52 9.630 21.800 12.804 425 HZ3 LYS 52 HZ3 LYS 52 9.996 20.756 14.084 426 H VAL 53 H VAL 53 15.734 19.883 8.643 427 HA VAL 53 HA VAL 53 15.142 20.581 5.859 428 HB VAL 53 HB VAL 53 17.231 19.687 5.044 429 HG11 VAL 53 HG11 VAL 53 16.948 22.101 6.195 430 HG12 VAL 53 HG12 VAL 53 18.297 21.468 7.141 431 HG13 VAL 53 HG13 VAL 53 18.423 21.576 5.384 432 HG21 VAL 53 HG21 VAL 53 17.631 18.955 7.907 433 HG22 VAL 53 HG22 VAL 53 17.922 18.003 6.451 434 HG23 VAL 53 HG23 VAL 53 19.039 19.292 6.900 435 H THR 54 H THR 54 14.630 18.834 4.530 436 HA THR 54 HA THR 54 13.719 16.476 5.960 437 HB THR 54 HB THR 54 13.367 17.282 3.066 438 HG1 THR 54 HG1 THR 54 11.665 18.313 3.780 439 HG21 THR 54 HG21 THR 54 11.699 15.494 2.961 440 HG22 THR 54 HG22 THR 54 12.090 15.024 4.615 441 HG23 THR 54 HG23 THR 54 13.294 14.847 3.339 442 H VAL 55 H VAL 55 14.364 14.374 5.553 443 HA VAL 55 HA VAL 55 16.591 13.956 3.696 444 HB VAL 55 HB VAL 55 17.661 12.477 5.493 445 HG11 VAL 55 HG11 VAL 55 17.837 15.318 6.341 446 HG12 VAL 55 HG12 VAL 55 19.120 14.156 6.000 447 HG13 VAL 55 HG13 VAL 55 18.249 14.924 4.673 448 HG21 VAL 55 HG21 VAL 55 15.828 12.431 7.068 449 HG22 VAL 55 HG22 VAL 55 17.230 13.194 7.818 450 HG23 VAL 55 HG23 VAL 55 15.891 14.185 7.240 451 H GLU 56 H GLU 56 16.894 11.764 3.057 452 HA GLU 56 HA GLU 56 14.670 9.962 3.736 453 HB2 GLU 56 HB2 GLU 56 14.643 11.195 1.402 454 HB3 GLU 56 HB3 GLU 56 15.805 9.949 0.972 455 HG2 GLU 56 HG2 GLU 56 14.235 8.218 1.430 456 HG3 GLU 56 HG3 GLU 56 13.094 9.364 2.130 457 H LEU 57 H LEU 57 15.371 8.099 4.522 458 HA LEU 57 HA LEU 57 18.148 7.388 4.414 459 HB2 LEU 57 HB2 LEU 57 16.044 6.855 6.116 460 HB3 LEU 57 HB3 LEU 57 16.330 5.305 5.327 461 HG LEU 57 HG LEU 57 18.659 5.353 6.080 462 HD11 LEU 57 HD11 LEU 57 18.694 7.291 8.066 463 HD12 LEU 57 HD12 LEU 57 17.999 8.105 6.665 464 HD13 LEU 57 HD13 LEU 57 19.575 7.325 6.538 465 HD21 LEU 57 HD21 LEU 57 18.140 5.281 8.586 466 HD22 LEU 57 HD22 LEU 57 17.256 4.177 7.532 467 HD23 LEU 57 HD23 LEU 57 16.478 5.648 8.120 468 H THR 58 H THR 58 19.092 6.327 2.815 469 HA THR 58 HA THR 58 17.743 5.241 0.612 470 HB THR 58 HB THR 58 19.936 4.183 0.035 471 HG1 THR 58 HG1 THR 58 20.449 4.942 2.671 472 HG21 THR 58 HG21 THR 58 21.062 6.703 0.545 473 HG22 THR 58 HG22 THR 58 19.331 6.978 0.349 474 HG23 THR 58 HG23 THR 58 20.246 6.172 -0.924 475 HA PRO 59 HA PRO 59 16.567 1.190 1.833 476 HB2 PRO 59 HB2 PRO 59 16.867 -0.163 -0.501 477 HB3 PRO 59 HB3 PRO 59 15.561 0.995 -0.223 478 HG2 PRO 59 HG2 PRO 59 18.152 1.375 -1.673 479 HG3 PRO 59 HG3 PRO 59 16.526 1.922 -2.124 480 HD2 PRO 59 HD2 PRO 59 18.354 3.566 -0.988 481 HD3 PRO 59 HD3 PRO 59 16.610 3.740 -0.709 482 H TYR 60 H TYR 60 19.697 1.709 0.390 483 HA TYR 60 HA TYR 60 20.797 -0.845 0.608 484 HB2 TYR 60 HB2 TYR 60 21.728 1.458 -0.356 485 HB3 TYR 60 HB3 TYR 60 22.524 1.506 1.213 486 HD1 TYR 60 HD1 TYR 60 21.954 -0.895 -1.598 487 HD2 TYR 60 HD2 TYR 60 24.627 0.572 1.369 488 HE1 TYR 60 HE1 TYR 60 23.713 -2.386 -2.454 489 HE2 TYR 60 HE2 TYR 60 26.394 -0.914 0.521 490 HH TYR 60 HH TYR 60 26.969 -2.084 -1.569 491 H ASP 61 H ASP 61 20.628 1.781 2.977 492 HA ASP 61 HA ASP 61 20.634 -0.032 5.170 493 HB2 ASP 61 HB2 ASP 61 23.192 1.195 4.332 494 HB3 ASP 61 HB3 ASP 61 22.824 1.295 6.052 495 H LEU 62 H LEU 62 21.091 1.360 7.297 496 HA LEU 62 HA LEU 62 19.406 3.746 7.006 497 HB2 LEU 62 HB2 LEU 62 20.096 2.472 9.623 498 HB3 LEU 62 HB3 LEU 62 18.685 3.436 9.193 499 HG LEU 62 HG LEU 62 19.220 0.594 8.329 500 HD11 LEU 62 HD11 LEU 62 18.540 0.259 10.462 501 HD12 LEU 62 HD12 LEU 62 16.951 0.473 9.726 502 HD13 LEU 62 HD13 LEU 62 17.722 1.818 10.567 503 HD21 LEU 62 HD21 LEU 62 17.077 0.633 7.293 504 HD22 LEU 62 HD22 LEU 62 17.980 2.021 6.684 505 HD23 LEU 62 HD23 LEU 62 16.737 2.248 7.916 506 H SER 63 H SER 63 22.596 2.941 7.272 507 HA SER 63 HA SER 63 23.326 5.215 8.956 508 HB2 SER 63 HB2 SER 63 25.198 3.243 7.639 509 HB3 SER 63 HB3 SER 63 25.540 4.313 8.998 510 HG SER 63 HG SER 63 24.264 1.869 8.946 511 H ARG 64 H ARG 64 22.104 5.708 6.405 512 HA ARG 64 HA ARG 64 23.810 7.708 5.418 513 HB2 ARG 64 HB2 ARG 64 24.275 6.766 3.164 514 HB3 ARG 64 HB3 ARG 64 25.121 5.927 4.458 515 HG2 ARG 64 HG2 ARG 64 23.004 4.356 4.352 516 HG3 ARG 64 HG3 ARG 64 22.918 4.988 2.706 517 HD2 ARG 64 HD2 ARG 64 25.294 3.626 3.970 518 HD3 ARG 64 HD3 ARG 64 24.200 2.916 2.784 519 HE ARG 64 HE ARG 64 26.395 4.654 2.260 520 HH11 ARG 64 HH11 ARG 64 23.218 3.755 1.156 521 HH12 ARG 64 HH12 ARG 64 23.510 4.232 -0.484 522 HH21 ARG 64 HH21 ARG 64 26.792 5.286 0.105 523 HH22 ARG 64 HH22 ARG 64 25.544 5.102 -1.081 524 H ALA 65 H ALA 65 22.347 9.187 4.912 525 HA ALA 65 HA ALA 65 19.986 8.358 3.355 526 HB1 ALA 65 HB1 ALA 65 18.558 9.298 4.793 527 HB2 ALA 65 HB2 ALA 65 19.895 9.253 5.944 528 HB3 ALA 65 HB3 ALA 65 19.578 10.720 5.017 529 H ARG 66 H ARG 66 18.928 10.292 2.262 530 HA ARG 66 HA ARG 66 21.046 11.891 1.013 531 HB2 ARG 66 HB2 ARG 66 19.597 12.139 -0.875 532 HB3 ARG 66 HB3 ARG 66 19.583 10.441 -0.417 533 HG2 ARG 66 HG2 ARG 66 17.465 11.056 0.923 534 HG3 ARG 66 HG3 ARG 66 17.440 12.498 -0.094 535 HD2 ARG 66 HD2 ARG 66 16.056 10.822 -1.109 536 HD3 ARG 66 HD3 ARG 66 17.507 11.024 -2.090 537 HE ARG 66 HE ARG 66 18.069 8.963 -0.361 538 HH11 ARG 66 HH11 ARG 66 15.671 9.621 -2.798 539 HH12 ARG 66 HH12 ARG 66 15.458 7.956 -3.224 540 HH21 ARG 66 HH21 ARG 66 17.797 6.766 -0.913 541 HH22 ARG 66 HH22 ARG 66 16.667 6.332 -2.150 542 H ILE 67 H ILE 67 21.122 14.048 1.203 543 HA ILE 67 HA ILE 67 19.384 15.349 3.073 544 HB ILE 67 HB ILE 67 21.542 16.497 1.300 545 HG12 ILE 67 HG12 ILE 67 21.577 15.767 4.237 546 HG13 ILE 67 HG13 ILE 67 22.336 14.835 2.951 547 HG21 ILE 67 HG21 ILE 67 19.943 18.207 1.946 548 HG22 ILE 67 HG22 ILE 67 20.086 17.726 3.636 549 HG23 ILE 67 HG23 ILE 67 21.467 18.437 2.802 550 HD11 ILE 67 HD11 ILE 67 23.839 16.674 2.478 551 HD12 ILE 67 HD12 ILE 67 23.053 17.654 3.716 552 HD13 ILE 67 HD13 ILE 67 23.944 16.203 4.174 553 H VAL 68 H VAL 68 17.744 16.752 2.709 554 HA VAL 68 HA VAL 68 17.094 17.394 -0.092 555 HB VAL 68 HB VAL 68 14.952 16.948 1.964 556 HG11 VAL 68 HG11 VAL 68 15.112 17.197 -1.004 557 HG12 VAL 68 HG12 VAL 68 13.801 16.261 -0.285 558 HG13 VAL 68 HG13 VAL 68 14.003 17.964 0.132 559 HG21 VAL 68 HG21 VAL 68 15.661 14.812 2.095 560 HG22 VAL 68 HG22 VAL 68 14.859 14.661 0.531 561 HG23 VAL 68 HG23 VAL 68 16.602 14.920 0.607 562 H PHE 69 H PHE 69 15.642 19.279 -0.320 563 HA PHE 69 HA PHE 69 16.648 21.561 0.832 564 HB2 PHE 69 HB2 PHE 69 14.378 22.591 0.171 565 HB3 PHE 69 HB3 PHE 69 15.358 21.871 -1.102 566 HD1 PHE 69 HD2 PHE 69 12.781 20.754 1.360 567 HD2 PHE 69 HD1 PHE 69 14.224 20.619 -2.642 568 HE1 PHE 69 HE2 PHE 69 10.892 19.308 0.732 569 HE2 PHE 69 HE1 PHE 69 12.336 19.174 -3.277 570 HZ PHE 69 HZ PHE 69 10.668 18.516 -1.589 571 H ARG 70 H ARG 70 15.475 23.156 2.227 572 HA ARG 70 HA ARG 70 15.151 22.233 4.797 573 HB2 ARG 70 HB2 ARG 70 13.893 24.680 3.544 574 HB3 ARG 70 HB3 ARG 70 14.024 24.389 5.273 575 HG2 ARG 70 HG2 ARG 70 16.328 24.679 5.276 576 HG3 ARG 70 HG3 ARG 70 16.459 24.411 3.537 577 HD2 ARG 70 HD2 ARG 70 16.773 26.748 3.972 578 HD3 ARG 70 HD3 ARG 70 15.213 26.531 3.177 579 HE ARG 70 HE ARG 70 15.067 26.579 6.051 580 HH11 ARG 70 HH11 ARG 70 15.069 28.490 3.141 581 HH12 ARG 70 HH12 ARG 70 14.229 29.824 3.861 582 HH21 ARG 70 HH21 ARG 70 13.961 28.328 7.010 583 HH22 ARG 70 HH22 ARG 70 13.600 29.731 6.062 584 H ALA 71 H ALA 71 13.383 21.789 6.132 585 HA ALA 71 HA ALA 71 11.210 20.445 4.842 586 HB1 ALA 71 HB1 ALA 71 11.749 19.351 6.769 587 HB2 ALA 71 HB2 ALA 71 12.107 20.838 7.647 588 HB3 ALA 71 HB3 ALA 71 10.432 20.363 7.365 589 H LYS 72 H LYS 72 8.993 20.930 4.986 590 HA LYS 72 HA LYS 72 8.430 23.789 5.398 591 HB2 LYS 72 HB2 LYS 72 8.075 22.820 3.103 592 HB3 LYS 72 HB3 LYS 72 6.809 21.810 3.790 593 HG2 LYS 72 HG2 LYS 72 5.445 23.668 4.269 594 HG3 LYS 72 HG3 LYS 72 6.768 24.805 4.001 595 HD2 LYS 72 HD2 LYS 72 5.727 23.015 1.821 596 HD3 LYS 72 HD3 LYS 72 5.020 24.598 2.156 597 HE2 LYS 72 HE2 LYS 72 7.948 24.166 1.597 598 HE3 LYS 72 HE3 LYS 72 6.767 24.551 0.346 599 HZ1 LYS 72 HZ1 LYS 72 6.934 26.277 2.713 600 HZ2 LYS 72 HZ2 LYS 72 6.490 26.666 1.128 601 HZ3 LYS 72 HZ3 LYS 72 8.120 26.427 1.515 Start of MODEL 7 1 H1 MET 1 H MET 1 8.623 -8.913 1.538 2 HA MET 1 HA MET 1 8.745 -10.199 -1.111 3 HB2 MET 1 HB2 MET 1 6.670 -8.972 -1.653 4 HB3 MET 1 HB3 MET 1 6.459 -10.082 -0.306 5 HG2 MET 1 HG2 MET 1 6.916 -8.031 1.177 6 HG3 MET 1 HG3 MET 1 6.585 -7.096 -0.280 7 HE1 MET 1 HE1 MET 1 4.381 -8.966 2.773 8 HE2 MET 1 HE2 MET 1 3.859 -10.166 1.590 9 HE3 MET 1 HE3 MET 1 5.579 -9.899 1.875 10 H ALA 2 H ALA 2 8.773 -8.699 -2.959 11 HA ALA 2 HA ALA 2 10.782 -6.700 -2.601 12 HB1 ALA 2 HB1 ALA 2 10.824 -7.946 -4.624 13 HB2 ALA 2 HB2 ALA 2 9.150 -7.526 -4.992 14 HB3 ALA 2 HB3 ALA 2 10.403 -6.286 -5.048 15 H LYS 3 H LYS 3 9.738 -5.264 -1.112 16 HA LYS 3 HA LYS 3 7.915 -3.391 -2.462 17 HB2 LYS 3 HB2 LYS 3 6.814 -3.024 -0.232 18 HB3 LYS 3 HB3 LYS 3 6.514 -4.600 -0.953 19 HG2 LYS 3 HG2 LYS 3 7.705 -5.712 0.636 20 HG3 LYS 3 HG3 LYS 3 8.791 -4.352 0.933 21 HD2 LYS 3 HD2 LYS 3 7.559 -4.254 2.848 22 HD3 LYS 3 HD3 LYS 3 6.544 -3.246 1.815 23 HE2 LYS 3 HE2 LYS 3 5.013 -4.998 1.441 24 HE3 LYS 3 HE3 LYS 3 6.126 -6.211 2.071 25 HZ1 LYS 3 HZ1 LYS 3 5.806 -5.441 4.259 26 HZ2 LYS 3 HZ2 LYS 3 4.259 -5.548 3.585 27 HZ3 LYS 3 HZ3 LYS 3 5.007 -4.040 3.747 28 H ASP 4 H ASP 4 8.348 -1.256 -2.178 29 HA ASP 4 HA ASP 4 10.887 -0.402 -1.498 30 HB2 ASP 4 HB2 ASP 4 8.849 0.803 -2.693 31 HB3 ASP 4 HB3 ASP 4 8.607 1.479 -1.085 32 H ASP 5 H ASP 5 11.866 -0.594 0.402 33 HA ASP 5 HA ASP 5 10.299 -0.314 2.863 34 HB2 ASP 5 HB2 ASP 5 12.903 -1.627 2.185 35 HB3 ASP 5 HB3 ASP 5 12.598 -1.126 3.846 36 H VAL 6 H VAL 6 11.190 1.938 1.137 37 HA VAL 6 HA VAL 6 13.190 3.286 2.767 38 HB VAL 6 HB VAL 6 11.706 4.456 0.419 39 HG11 VAL 6 HG11 VAL 6 12.857 6.243 1.132 40 HG12 VAL 6 HG12 VAL 6 13.941 5.270 2.128 41 HG13 VAL 6 HG13 VAL 6 14.246 5.442 0.399 42 HG21 VAL 6 HG21 VAL 6 14.003 2.545 0.482 43 HG22 VAL 6 HG22 VAL 6 12.602 2.578 -0.589 44 HG23 VAL 6 HG23 VAL 6 13.898 3.755 -0.796 45 H ILE 7 H ILE 7 12.832 5.280 3.813 46 HA ILE 7 HA ILE 7 10.107 6.252 4.076 47 HB ILE 7 HB ILE 7 10.135 6.169 6.534 48 HG12 ILE 7 HG12 ILE 7 11.923 4.225 7.240 49 HG13 ILE 7 HG13 ILE 7 12.836 5.113 6.026 50 HG21 ILE 7 HG21 ILE 7 9.166 4.342 5.025 51 HG22 ILE 7 HG22 ILE 7 10.557 3.379 5.519 52 HG23 ILE 7 HG23 ILE 7 9.410 3.955 6.728 53 HD11 ILE 7 HD11 ILE 7 13.221 6.787 7.425 54 HD12 ILE 7 HD12 ILE 7 11.524 6.885 7.896 55 HD13 ILE 7 HD13 ILE 7 12.598 5.741 8.701 56 H GLN 8 H GLN 8 10.083 8.403 4.232 57 HA GLN 8 HA GLN 8 12.624 9.787 4.622 58 HB2 GLN 8 HB2 GLN 8 11.487 11.745 3.712 59 HB3 GLN 8 HB3 GLN 8 11.288 10.361 2.645 60 HG2 GLN 8 HG2 GLN 8 9.058 10.050 3.991 61 HG3 GLN 8 HG3 GLN 8 9.281 11.767 4.326 62 HE21 GLN 8 HE21 GLN 8 7.229 10.401 2.755 63 HE22 GLN 8 HE22 GLN 8 7.297 11.098 1.176 64 H MET 9 H MET 9 13.127 10.785 6.456 65 HA MET 9 HA MET 9 10.983 11.253 8.417 66 HB2 MET 9 HB2 MET 9 13.119 9.715 8.817 67 HB3 MET 9 HB3 MET 9 13.849 11.261 9.229 68 HG2 MET 9 HG2 MET 9 13.100 10.429 11.261 69 HG3 MET 9 HG3 MET 9 11.856 11.584 10.789 70 HE1 MET 9 HE1 MET 9 12.243 7.991 12.253 71 HE2 MET 9 HE2 MET 9 11.697 9.504 12.977 72 HE3 MET 9 HE3 MET 9 10.551 8.190 12.708 73 H GLN 10 H GLN 10 11.185 13.153 9.790 74 HA GLN 10 HA GLN 10 12.372 15.406 8.318 75 HB2 GLN 10 HB2 GLN 10 9.859 15.038 9.797 76 HB3 GLN 10 HB3 GLN 10 10.690 16.546 10.152 77 HG2 GLN 10 HG2 GLN 10 9.572 17.318 8.381 78 HG3 GLN 10 HG3 GLN 10 10.832 16.509 7.450 79 HE21 GLN 10 HE21 GLN 10 10.312 14.047 7.211 80 HE22 GLN 10 HE22 GLN 10 8.716 13.705 6.648 81 H GLY 11 H GLY 11 14.283 15.981 9.125 82 HA2 GLY 11 HA2 GLY 11 14.524 16.194 12.060 83 HA3 GLY 11 HA3 GLY 11 15.815 15.504 11.087 84 H GLU 12 H GLU 12 16.417 17.576 12.714 85 HA GLU 12 HA GLU 12 16.545 19.916 10.933 86 HB2 GLU 12 HB2 GLU 12 15.473 20.488 12.995 87 HB3 GLU 12 HB3 GLU 12 16.725 19.690 13.936 88 HG2 GLU 12 HG2 GLU 12 18.258 21.385 13.584 89 HG3 GLU 12 HG3 GLU 12 17.416 21.986 12.157 90 H VAL 13 H VAL 13 18.482 20.791 10.371 91 HA VAL 13 HA VAL 13 20.780 19.153 10.443 92 HB VAL 13 HB VAL 13 20.540 22.089 9.772 93 HG11 VAL 13 HG11 VAL 13 22.791 21.967 10.009 94 HG12 VAL 13 HG12 VAL 13 22.831 20.218 9.785 95 HG13 VAL 13 HG13 VAL 13 22.682 21.284 8.388 96 HG21 VAL 13 HG21 VAL 13 20.714 19.721 7.917 97 HG22 VAL 13 HG22 VAL 13 19.200 20.495 8.385 98 HG23 VAL 13 HG23 VAL 13 20.413 21.405 7.485 99 H ILE 14 H ILE 14 22.545 19.133 11.733 100 HA ILE 14 HA ILE 14 22.588 21.039 13.982 101 HB ILE 14 HB ILE 14 23.376 18.126 13.970 102 HG12 ILE 14 HG12 ILE 14 20.956 18.610 14.193 103 HG13 ILE 14 HG13 ILE 14 21.630 17.885 15.649 104 HG21 ILE 14 HG21 ILE 14 25.014 19.313 15.258 105 HG22 ILE 14 HG22 ILE 14 23.760 20.225 16.097 106 HG23 ILE 14 HG23 ILE 14 23.921 18.490 16.371 107 HD11 ILE 14 HD11 ILE 14 20.131 20.228 15.444 108 HD12 ILE 14 HD12 ILE 14 20.958 19.599 16.870 109 HD13 ILE 14 HD13 ILE 14 21.778 20.744 15.808 110 H GLU 15 H GLU 15 24.428 19.295 11.575 111 HA GLU 15 HA GLU 15 26.628 21.169 11.931 112 HB2 GLU 15 HB2 GLU 15 26.755 18.540 12.957 113 HB3 GLU 15 HB3 GLU 15 27.760 18.561 11.515 114 HG2 GLU 15 HG2 GLU 15 29.366 19.352 12.826 115 HG3 GLU 15 HG3 GLU 15 28.483 20.878 12.797 116 H ASN 16 H ASN 16 28.009 21.330 10.103 117 HA ASN 16 HA ASN 16 26.964 20.037 7.672 118 HB2 ASN 16 HB2 ASN 16 27.473 22.125 6.440 119 HB3 ASN 16 HB3 ASN 16 26.250 22.364 7.685 120 HD21 ASN 16 HD21 ASN 16 26.724 23.601 9.476 121 HD22 ASN 16 HD22 ASN 16 28.125 24.608 9.568 122 H LEU 17 H LEU 17 28.441 18.755 6.802 123 HA LEU 17 HA LEU 17 31.276 19.269 7.320 124 HB2 LEU 17 HB2 LEU 17 29.657 16.879 6.638 125 HB3 LEU 17 HB3 LEU 17 31.324 16.919 6.066 126 HG LEU 17 HG LEU 17 32.147 17.070 8.325 127 HD11 LEU 17 HD11 LEU 17 29.243 17.339 9.041 128 HD12 LEU 17 HD12 LEU 17 30.580 18.419 9.437 129 HD13 LEU 17 HD13 LEU 17 30.463 16.839 10.213 130 HD21 LEU 17 HD21 LEU 17 31.695 14.841 7.472 131 HD22 LEU 17 HD22 LEU 17 30.032 14.936 8.051 132 HD23 LEU 17 HD23 LEU 17 31.368 14.915 9.203 133 HA PRO 18 HA PRO 18 32.251 20.514 3.228 134 HB2 PRO 18 HB2 PRO 18 34.617 19.261 2.780 135 HB3 PRO 18 HB3 PRO 18 34.449 20.630 3.886 136 HG2 PRO 18 HG2 PRO 18 34.556 17.701 4.498 137 HG3 PRO 18 HG3 PRO 18 35.353 19.048 5.332 138 HD2 PRO 18 HD2 PRO 18 33.089 17.893 6.265 139 HD3 PRO 18 HD3 PRO 18 33.450 19.615 6.503 140 H ASN 19 H ASN 19 33.171 19.536 1.061 141 HA ASN 19 HA ASN 19 32.818 18.180 -0.730 142 HB2 ASN 19 HB2 ASN 19 32.310 15.963 1.258 143 HB3 ASN 19 HB3 ASN 19 32.851 15.804 -0.410 144 HD21 ASN 19 HD21 ASN 19 33.763 16.432 2.842 145 HD22 ASN 19 HD22 ASN 19 35.470 16.494 2.582 146 H ALA 20 H ALA 20 30.605 19.602 0.559 147 HA ALA 20 HA ALA 20 28.361 19.859 0.275 148 HB1 ALA 20 HB1 ALA 20 29.123 18.951 -2.060 149 HB2 ALA 20 HB2 ALA 20 28.224 17.517 -1.563 150 HB3 ALA 20 HB3 ALA 20 27.409 19.078 -1.662 151 H THR 21 H THR 21 29.248 18.312 2.443 152 HA THR 21 HA THR 21 27.182 16.224 2.649 153 HB THR 21 HB THR 21 29.496 16.505 4.550 154 HG1 THR 21 HG1 THR 21 30.599 15.000 3.200 155 HG21 THR 21 HG21 THR 21 27.769 15.032 5.310 156 HG22 THR 21 HG22 THR 21 29.108 14.032 4.745 157 HG23 THR 21 HG23 THR 21 27.676 14.241 3.737 158 H PHE 22 H PHE 22 26.099 15.995 4.727 159 HA PHE 22 HA PHE 22 26.168 18.234 6.555 160 HB2 PHE 22 HB2 PHE 22 23.834 17.730 4.722 161 HB3 PHE 22 HB3 PHE 22 23.617 18.517 6.282 162 HD1 PHE 22 HD2 PHE 22 24.691 20.697 6.724 163 HD2 PHE 22 HD1 PHE 22 24.779 18.877 2.877 164 HE1 PHE 22 HE2 PHE 22 25.307 22.857 5.719 165 HE2 PHE 22 HE1 PHE 22 25.396 21.034 1.867 166 HZ PHE 22 HZ PHE 22 25.659 23.028 3.288 167 H ARG 23 H ARG 23 24.945 17.861 8.490 168 HA ARG 23 HA ARG 23 24.180 15.040 8.867 169 HB2 ARG 23 HB2 ARG 23 25.649 16.873 10.766 170 HB3 ARG 23 HB3 ARG 23 24.972 15.320 11.236 171 HG2 ARG 23 HG2 ARG 23 26.785 15.339 8.900 172 HG3 ARG 23 HG3 ARG 23 27.505 15.626 10.486 173 HD2 ARG 23 HD2 ARG 23 26.303 13.553 11.273 174 HD3 ARG 23 HD3 ARG 23 25.909 13.239 9.583 175 HE ARG 23 HE ARG 23 28.079 12.582 9.229 176 HH11 ARG 23 HH11 ARG 23 27.850 14.220 12.292 177 HH12 ARG 23 HH12 ARG 23 29.458 13.803 12.783 178 HH21 ARG 23 HH21 ARG 23 30.198 12.027 9.864 179 HH22 ARG 23 HH22 ARG 23 30.793 12.556 11.400 180 H VAL 24 H VAL 24 22.033 14.994 9.030 181 HA VAL 24 HA VAL 24 20.664 17.153 10.478 182 HB VAL 24 HB VAL 24 19.522 15.058 8.624 183 HG11 VAL 24 HG11 VAL 24 17.643 15.503 9.777 184 HG12 VAL 24 HG12 VAL 24 18.292 16.996 10.459 185 HG13 VAL 24 HG13 VAL 24 17.630 16.986 8.823 186 HG21 VAL 24 HG21 VAL 24 19.677 18.013 8.120 187 HG22 VAL 24 HG22 VAL 24 20.984 16.923 7.658 188 HG23 VAL 24 HG23 VAL 24 19.374 16.712 6.969 189 H LYS 25 H LYS 25 19.420 16.767 12.252 190 HA LYS 25 HA LYS 25 19.660 14.097 13.440 191 HB2 LYS 25 HB2 LYS 25 19.723 16.805 14.476 192 HB3 LYS 25 HB3 LYS 25 18.548 15.820 15.338 193 HG2 LYS 25 HG2 LYS 25 21.149 14.535 14.900 194 HG3 LYS 25 HG3 LYS 25 21.181 15.959 15.942 195 HD2 LYS 25 HD2 LYS 25 19.256 13.671 16.315 196 HD3 LYS 25 HD3 LYS 25 20.823 13.765 17.122 197 HE2 LYS 25 HE2 LYS 25 18.579 15.769 17.347 198 HE3 LYS 25 HE3 LYS 25 19.039 14.585 18.569 199 HZ1 LYS 25 HZ1 LYS 25 20.151 16.408 19.319 200 HZ2 LYS 25 HZ2 LYS 25 20.391 17.058 17.776 201 HZ3 LYS 25 HZ3 LYS 25 21.346 15.767 18.308 202 H LEU 26 H LEU 26 17.971 12.782 13.389 203 HA LEU 26 HA LEU 26 15.418 13.614 12.453 204 HB2 LEU 26 HB2 LEU 26 15.927 11.038 13.898 205 HB3 LEU 26 HB3 LEU 26 14.779 11.370 12.602 206 HG LEU 26 HG LEU 26 17.776 11.158 12.320 207 HD11 LEU 26 HD11 LEU 26 17.368 9.116 11.165 208 HD12 LEU 26 HD12 LEU 26 15.623 9.359 11.228 209 HD13 LEU 26 HD13 LEU 26 16.521 9.031 12.710 210 HD21 LEU 26 HD21 LEU 26 16.351 11.061 9.852 211 HD22 LEU 26 HD22 LEU 26 17.597 12.198 10.370 212 HD23 LEU 26 HD23 LEU 26 15.899 12.530 10.717 213 H GLU 27 H GLU 27 13.909 11.842 14.286 214 HA GLU 27 HA GLU 27 13.416 13.839 16.356 215 HB2 GLU 27 HB2 GLU 27 11.841 11.504 15.300 216 HB3 GLU 27 HB3 GLU 27 11.394 12.303 16.801 217 HG2 GLU 27 HG2 GLU 27 11.719 13.786 14.212 218 HG3 GLU 27 HG3 GLU 27 10.194 13.057 14.713 219 H ASN 28 H ASN 28 14.072 10.366 16.049 220 HA ASN 28 HA ASN 28 14.064 9.789 18.807 221 HB2 ASN 28 HB2 ASN 28 15.532 8.384 16.563 222 HB3 ASN 28 HB3 ASN 28 15.258 7.725 18.173 223 HD21 ASN 28 HD21 ASN 28 12.851 7.848 18.827 224 HD22 ASN 28 HD22 ASN 28 11.739 7.274 17.636 225 H GLY 29 H GLY 29 16.294 11.477 16.868 226 HA2 GLY 29 HA2 GLY 29 18.011 12.767 17.982 227 HA3 GLY 29 HA3 GLY 29 18.239 11.417 19.083 228 H HIS 30 H HIS 30 17.840 10.021 16.167 229 HA HIS 30 HA HIS 30 20.587 9.331 15.920 230 HB2 HIS 30 HB2 HIS 30 18.279 8.865 14.022 231 HB3 HIS 30 HB3 HIS 30 19.866 8.113 13.887 232 HD1 HIS 30 HD1 HIS 30 17.287 6.435 14.224 233 HD2 HIS 30 HD2 HIS 30 19.771 7.594 17.346 234 HE1 HIS 30 HE1 HIS 30 16.868 4.777 16.068 235 H VAL 31 H VAL 31 22.140 10.048 14.548 236 HA VAL 31 HA VAL 31 21.522 12.489 13.044 237 HB VAL 31 HB VAL 31 23.999 12.789 12.953 238 HG11 VAL 31 HG11 VAL 31 24.108 12.949 15.634 239 HG12 VAL 31 HG12 VAL 31 23.234 14.104 14.625 240 HG13 VAL 31 HG13 VAL 31 22.367 12.785 15.412 241 HG21 VAL 31 HG21 VAL 31 25.360 11.110 13.461 242 HG22 VAL 31 HG22 VAL 31 24.731 11.087 15.108 243 HG23 VAL 31 HG23 VAL 31 23.971 10.100 13.860 244 H VAL 32 H VAL 32 21.316 12.395 10.914 245 HA VAL 32 HA VAL 32 22.385 10.063 9.485 246 HB VAL 32 HB VAL 32 20.840 10.631 7.683 247 HG11 VAL 32 HG11 VAL 32 18.729 10.189 8.862 248 HG12 VAL 32 HG12 VAL 32 20.042 9.168 9.450 249 HG13 VAL 32 HG13 VAL 32 19.517 10.563 10.394 250 HG21 VAL 32 HG21 VAL 32 20.231 12.762 7.454 251 HG22 VAL 32 HG22 VAL 32 19.098 12.496 8.779 252 HG23 VAL 32 HG23 VAL 32 20.704 13.146 9.110 253 H LEU 33 H LEU 33 23.973 10.255 8.031 254 HA LEU 33 HA LEU 33 24.879 12.972 7.346 255 HB2 LEU 33 HB2 LEU 33 27.088 12.161 7.197 256 HB3 LEU 33 HB3 LEU 33 26.414 11.505 8.688 257 HG LEU 33 HG LEU 33 25.912 9.438 7.087 258 HD11 LEU 33 HD11 LEU 33 27.875 11.086 5.648 259 HD12 LEU 33 HD12 LEU 33 26.767 9.852 5.050 260 HD13 LEU 33 HD13 LEU 33 28.288 9.378 5.807 261 HD21 LEU 33 HD21 LEU 33 27.978 8.432 7.908 262 HD22 LEU 33 HD22 LEU 33 27.187 9.377 9.169 263 HD23 LEU 33 HD23 LEU 33 28.596 10.029 8.331 264 H GLY 34 H GLY 34 25.109 13.555 5.249 265 HA2 GLY 34 HA2 GLY 34 25.464 11.806 3.080 266 HA3 GLY 34 HA3 GLY 34 23.746 12.138 3.244 267 H HIS 35 H HIS 35 23.956 13.087 1.102 268 HA HIS 35 HA HIS 35 24.955 15.854 1.247 269 HB2 HIS 35 HB2 HIS 35 25.546 15.729 -1.122 270 HB3 HIS 35 HB3 HIS 35 26.399 14.489 -0.207 271 HD1 HIS 35 HD1 HIS 35 25.197 12.025 -0.343 272 HD2 HIS 35 HD2 HIS 35 24.245 14.783 -3.301 273 HE1 HIS 35 HE1 HIS 35 24.225 10.677 -2.231 274 H ILE 36 H ILE 36 23.730 17.442 0.212 275 HA ILE 36 HA ILE 36 20.925 16.740 -0.126 276 HB ILE 36 HB ILE 36 21.533 18.691 1.264 277 HG12 ILE 36 HG12 ILE 36 19.420 18.441 -0.355 278 HG13 ILE 36 HG13 ILE 36 19.666 19.862 0.653 279 HG21 ILE 36 HG21 ILE 36 23.474 19.512 0.162 280 HG22 ILE 36 HG22 ILE 36 22.590 19.763 -1.342 281 HG23 ILE 36 HG23 ILE 36 22.247 20.774 0.061 282 HD11 ILE 36 HD11 ILE 36 19.038 20.171 -1.822 283 HD12 ILE 36 HD12 ILE 36 20.320 21.172 -1.137 284 HD13 ILE 36 HD13 ILE 36 20.728 19.778 -2.137 285 H SER 37 H SER 37 19.738 17.077 -1.982 286 HA SER 37 HA SER 37 21.308 17.626 -4.415 287 HB2 SER 37 HB2 SER 37 19.875 16.103 -5.624 288 HB3 SER 37 HB3 SER 37 20.481 15.272 -4.192 289 HG SER 37 HG SER 37 18.443 15.930 -3.184 290 H GLY 38 H GLY 38 20.325 18.825 -6.083 291 HA2 GLY 38 HA2 GLY 38 18.024 19.802 -6.703 292 HA3 GLY 38 HA3 GLY 38 18.148 20.560 -5.123 293 H LYS 39 H LYS 39 17.820 22.443 -6.699 294 HA LYS 39 HA LYS 39 20.250 23.271 -8.065 295 HB2 LYS 39 HB2 LYS 39 17.464 24.391 -7.882 296 HB3 LYS 39 HB3 LYS 39 18.782 25.335 -8.563 297 HG2 LYS 39 HG2 LYS 39 19.174 23.509 -10.198 298 HG3 LYS 39 HG3 LYS 39 17.741 22.695 -9.565 299 HD2 LYS 39 HD2 LYS 39 16.587 24.993 -10.052 300 HD3 LYS 39 HD3 LYS 39 17.950 25.218 -11.151 301 HE2 LYS 39 HE2 LYS 39 17.346 23.370 -12.457 302 HE3 LYS 39 HE3 LYS 39 16.288 22.720 -11.206 303 HZ1 LYS 39 HZ1 LYS 39 14.590 23.863 -12.018 304 HZ2 LYS 39 HZ2 LYS 39 15.554 24.300 -13.337 305 HZ3 LYS 39 HZ3 LYS 39 15.453 25.317 -11.989 306 H MET 40 H MET 40 18.609 23.809 -5.078 307 HA MET 40 HA MET 40 19.492 26.335 -4.354 308 HB2 MET 40 HB2 MET 40 19.044 25.727 -2.104 309 HB3 MET 40 HB3 MET 40 17.892 24.838 -3.090 310 HG2 MET 40 HG2 MET 40 19.335 22.849 -2.932 311 HG3 MET 40 HG3 MET 40 20.420 23.750 -1.876 312 HE1 MET 40 HE1 MET 40 20.626 23.133 0.057 313 HE2 MET 40 HE2 MET 40 19.519 23.900 1.195 314 HE3 MET 40 HE3 MET 40 19.548 22.142 1.041 315 H ARG 41 H ARG 41 21.277 23.420 -4.732 316 HA ARG 41 HA ARG 41 23.515 24.281 -3.113 317 HB2 ARG 41 HB2 ARG 41 24.525 22.206 -3.656 318 HB3 ARG 41 HB3 ARG 41 22.814 21.868 -3.432 319 HG2 ARG 41 HG2 ARG 41 22.685 22.182 -6.009 320 HG3 ARG 41 HG3 ARG 41 24.425 21.892 -5.941 321 HD2 ARG 41 HD2 ARG 41 22.875 19.995 -4.359 322 HD3 ARG 41 HD3 ARG 41 22.468 19.964 -6.074 323 HE ARG 41 HE ARG 41 25.295 19.900 -5.519 324 HH11 ARG 41 HH11 ARG 41 22.400 18.022 -5.980 325 HH12 ARG 41 HH12 ARG 41 23.250 16.583 -6.436 326 HH21 ARG 41 HH21 ARG 41 26.426 18.011 -6.118 327 HH22 ARG 41 HH22 ARG 41 25.539 16.577 -6.513 328 H MET 42 H MET 42 22.501 24.464 -6.419 329 HA MET 42 HA MET 42 25.118 25.045 -7.470 330 HB2 MET 42 HB2 MET 42 22.338 25.041 -8.597 331 HB3 MET 42 HB3 MET 42 23.656 25.777 -9.499 332 HG2 MET 42 HG2 MET 42 24.875 23.644 -9.416 333 HG3 MET 42 HG3 MET 42 23.508 22.918 -8.575 334 HE1 MET 42 HE1 MET 42 23.092 21.016 -10.195 335 HE2 MET 42 HE2 MET 42 21.564 21.785 -9.766 336 HE3 MET 42 HE3 MET 42 21.867 21.295 -11.434 337 H HIS 43 H HIS 43 22.572 26.816 -5.996 338 HA HIS 43 HA HIS 43 23.378 29.371 -7.097 339 HB2 HIS 43 HB2 HIS 43 21.231 28.424 -5.252 340 HB3 HIS 43 HB3 HIS 43 21.701 30.120 -5.185 341 HD1 HIS 43 HD1 HIS 43 21.436 28.034 -8.331 342 HD2 HIS 43 HD2 HIS 43 19.546 31.224 -6.457 343 HE1 HIS 43 HE1 HIS 43 19.773 28.906 -10.003 344 H TYR 44 H TYR 44 24.523 27.362 -4.710 345 HA TYR 44 HA TYR 44 26.051 27.609 -3.044 346 HB2 TYR 44 HB2 TYR 44 26.424 30.454 -3.975 347 HB3 TYR 44 HB3 TYR 44 27.586 29.426 -3.144 348 HD1 TYR 44 HD2 TYR 44 28.076 27.134 -4.477 349 HD2 TYR 44 HD1 TYR 44 26.756 30.780 -6.229 350 HE1 TYR 44 HE2 TYR 44 29.000 26.422 -6.642 351 HE2 TYR 44 HE1 TYR 44 27.676 30.077 -8.399 352 HH TYR 44 HH TYR 44 28.565 26.943 -9.090 353 H ILE 45 H ILE 45 23.754 27.632 -1.957 354 HA ILE 45 HA ILE 45 22.940 30.058 -0.698 355 HB ILE 45 HB ILE 45 21.478 28.612 0.679 356 HG12 ILE 45 HG12 ILE 45 22.689 26.329 -0.891 357 HG13 ILE 45 HG13 ILE 45 23.071 26.687 0.789 358 HG21 ILE 45 HG21 ILE 45 20.486 29.317 -1.308 359 HG22 ILE 45 HG22 ILE 45 21.528 28.298 -2.300 360 HG23 ILE 45 HG23 ILE 45 20.252 27.569 -1.324 361 HD11 ILE 45 HD11 ILE 45 20.418 25.834 -0.334 362 HD12 ILE 45 HD12 ILE 45 21.478 24.922 0.742 363 HD13 ILE 45 HD13 ILE 45 20.663 26.373 1.327 364 H ARG 46 H ARG 46 22.549 29.725 1.872 365 HA ARG 46 HA ARG 46 25.189 29.104 3.024 366 HB2 ARG 46 HB2 ARG 46 23.472 31.512 3.293 367 HB3 ARG 46 HB3 ARG 46 24.296 30.957 4.744 368 HG2 ARG 46 HG2 ARG 46 26.356 30.902 3.050 369 HG3 ARG 46 HG3 ARG 46 25.391 32.162 2.280 370 HD2 ARG 46 HD2 ARG 46 26.646 33.415 3.735 371 HD3 ARG 46 HD3 ARG 46 25.221 33.093 4.722 372 HE ARG 46 HE ARG 46 27.226 31.105 5.088 373 HH11 ARG 46 HH11 ARG 46 26.322 34.349 5.968 374 HH12 ARG 46 HH12 ARG 46 27.185 34.322 7.470 375 HH21 ARG 46 HH21 ARG 46 28.366 31.056 7.063 376 HH22 ARG 46 HH22 ARG 46 28.348 32.448 8.091 377 H ILE 47 H ILE 47 24.128 26.978 3.361 378 HA ILE 47 HA ILE 47 21.926 26.686 5.113 379 HB ILE 47 HB ILE 47 24.116 24.676 4.586 380 HG12 ILE 47 HG12 ILE 47 21.491 25.031 3.126 381 HG13 ILE 47 HG13 ILE 47 23.050 25.567 2.509 382 HG21 ILE 47 HG21 ILE 47 21.793 23.292 4.919 383 HG22 ILE 47 HG22 ILE 47 22.998 23.563 6.176 384 HG23 ILE 47 HG23 ILE 47 21.591 24.619 6.063 385 HD11 ILE 47 HD11 ILE 47 23.670 23.494 1.912 386 HD12 ILE 47 HD12 ILE 47 22.901 22.743 3.310 387 HD13 ILE 47 HD13 ILE 47 21.930 23.204 1.912 388 H LEU 48 H LEU 48 21.849 26.111 7.292 389 HA LEU 48 HA LEU 48 24.298 26.080 8.849 390 HB2 LEU 48 HB2 LEU 48 22.376 28.330 8.829 391 HB3 LEU 48 HB3 LEU 48 22.968 27.805 10.404 392 HG LEU 48 HG LEU 48 25.309 28.043 9.133 393 HD11 LEU 48 HD11 LEU 48 24.599 30.485 8.001 394 HD12 LEU 48 HD12 LEU 48 23.400 29.337 7.404 395 HD13 LEU 48 HD13 LEU 48 25.118 29.028 7.154 396 HD21 LEU 48 HD21 LEU 48 24.141 29.255 11.196 397 HD22 LEU 48 HD22 LEU 48 24.147 30.606 10.062 398 HD23 LEU 48 HD23 LEU 48 25.662 29.818 10.505 399 HA PRO 49 HA PRO 49 22.061 23.349 11.453 400 HB2 PRO 49 HB2 PRO 49 23.033 23.954 13.914 401 HB3 PRO 49 HB3 PRO 49 23.981 23.103 12.690 402 HG2 PRO 49 HG2 PRO 49 24.024 26.000 13.442 403 HG3 PRO 49 HG3 PRO 49 25.382 24.912 13.102 404 HD2 PRO 49 HD2 PRO 49 24.440 26.681 11.281 405 HD3 PRO 49 HD3 PRO 49 25.135 25.114 10.819 406 H GLY 50 H GLY 50 20.110 23.260 12.424 407 HA2 GLY 50 HA2 GLY 50 18.592 24.078 14.146 408 HA3 GLY 50 HA3 GLY 50 19.117 25.706 13.745 409 H ASP 51 H ASP 51 18.754 23.820 10.984 410 HA ASP 51 HA ASP 51 16.133 25.052 10.462 411 HB2 ASP 51 HB2 ASP 51 18.168 25.632 9.010 412 HB3 ASP 51 HB3 ASP 51 18.016 24.003 8.357 413 H LYS 52 H LYS 52 14.414 23.825 9.934 414 HA LYS 52 HA LYS 52 14.623 20.974 10.295 415 HB2 LYS 52 HB2 LYS 52 12.715 22.438 11.121 416 HB3 LYS 52 HB3 LYS 52 12.174 22.520 9.449 417 HG2 LYS 52 HG2 LYS 52 10.933 20.747 10.029 418 HG3 LYS 52 HG3 LYS 52 12.427 19.851 9.747 419 HD2 LYS 52 HD2 LYS 52 12.171 21.010 12.434 420 HD3 LYS 52 HD3 LYS 52 10.982 19.764 12.048 421 HE2 LYS 52 HE2 LYS 52 12.830 18.268 11.371 422 HE3 LYS 52 HE3 LYS 52 13.982 19.507 11.865 423 HZ1 LYS 52 HZ1 LYS 52 11.980 18.314 13.698 424 HZ2 LYS 52 HZ2 LYS 52 13.283 19.310 14.109 425 HZ3 LYS 52 HZ3 LYS 52 13.564 17.740 13.546 426 H VAL 53 H VAL 53 14.961 19.536 8.743 427 HA VAL 53 HA VAL 53 14.013 20.096 6.027 428 HB VAL 53 HB VAL 53 16.082 19.394 5.006 429 HG11 VAL 53 HG11 VAL 53 17.173 21.318 6.961 430 HG12 VAL 53 HG12 VAL 53 17.121 21.393 5.198 431 HG13 VAL 53 HG13 VAL 53 15.686 21.795 6.142 432 HG21 VAL 53 HG21 VAL 53 16.700 18.523 7.726 433 HG22 VAL 53 HG22 VAL 53 17.306 17.928 6.180 434 HG23 VAL 53 HG23 VAL 53 18.034 19.352 6.923 435 H THR 54 H THR 54 14.091 18.128 4.635 436 HA THR 54 HA THR 54 13.295 15.799 6.221 437 HB THR 54 HB THR 54 12.954 16.091 3.242 438 HG1 THR 54 HG1 THR 54 11.450 17.523 3.604 439 HG21 THR 54 HG21 THR 54 11.480 14.504 5.348 440 HG22 THR 54 HG22 THR 54 12.606 13.860 4.154 441 HG23 THR 54 HG23 THR 54 11.070 14.552 3.634 442 H VAL 55 H VAL 55 14.137 13.741 5.866 443 HA VAL 55 HA VAL 55 16.451 13.519 4.079 444 HB VAL 55 HB VAL 55 17.707 12.286 5.836 445 HG11 VAL 55 HG11 VAL 55 18.489 14.249 7.010 446 HG12 VAL 55 HG12 VAL 55 18.142 14.664 5.330 447 HG13 VAL 55 HG13 VAL 55 17.009 15.118 6.604 448 HG21 VAL 55 HG21 VAL 55 15.615 13.393 7.706 449 HG22 VAL 55 HG22 VAL 55 15.758 11.700 7.233 450 HG23 VAL 55 HG23 VAL 55 17.048 12.468 8.158 451 H GLU 56 H GLU 56 16.971 11.372 3.453 452 HA GLU 56 HA GLU 56 14.922 9.360 4.094 453 HB2 GLU 56 HB2 GLU 56 15.745 10.418 1.455 454 HB3 GLU 56 HB3 GLU 56 15.546 8.675 1.558 455 HG2 GLU 56 HG2 GLU 56 13.278 8.865 2.154 456 HG3 GLU 56 HG3 GLU 56 13.430 10.590 2.483 457 H LEU 57 H LEU 57 15.693 7.414 4.638 458 HA LEU 57 HA LEU 57 18.572 6.934 4.262 459 HB2 LEU 57 HB2 LEU 57 17.755 7.106 6.599 460 HB3 LEU 57 HB3 LEU 57 16.721 5.710 6.302 461 HG LEU 57 HG LEU 57 19.059 4.610 5.660 462 HD11 LEU 57 HD11 LEU 57 20.137 6.888 6.194 463 HD12 LEU 57 HD12 LEU 57 20.894 5.425 6.823 464 HD13 LEU 57 HD13 LEU 57 19.904 6.430 7.882 465 HD21 LEU 57 HD21 LEU 57 17.264 4.432 7.741 466 HD22 LEU 57 HD22 LEU 57 18.801 4.717 8.557 467 HD23 LEU 57 HD23 LEU 57 18.628 3.352 7.452 468 H THR 58 H THR 58 19.294 4.948 3.517 469 HA THR 58 HA THR 58 17.232 3.294 2.221 470 HB THR 58 HB THR 58 19.427 2.462 0.963 471 HG1 THR 58 HG1 THR 58 20.070 5.190 1.344 472 HG21 THR 58 HG21 THR 58 18.801 3.801 -0.859 473 HG22 THR 58 HG22 THR 58 18.272 5.123 0.180 474 HG23 THR 58 HG23 THR 58 17.322 3.640 0.087 475 HA PRO 59 HA PRO 59 18.278 -0.251 4.587 476 HB2 PRO 59 HB2 PRO 59 18.120 -2.239 2.746 477 HB3 PRO 59 HB3 PRO 59 16.699 -1.402 3.379 478 HG2 PRO 59 HG2 PRO 59 18.162 -0.968 0.804 479 HG3 PRO 59 HG3 PRO 59 16.415 -1.018 1.103 480 HD2 PRO 59 HD2 PRO 59 17.780 1.304 0.828 481 HD3 PRO 59 HD3 PRO 59 16.359 1.151 1.881 482 H TYR 60 H TYR 60 20.225 0.657 1.909 483 HA TYR 60 HA TYR 60 22.168 -1.372 1.955 484 HB2 TYR 60 HB2 TYR 60 22.048 1.429 0.951 485 HB3 TYR 60 HB3 TYR 60 23.636 0.689 1.112 486 HD1 TYR 60 HD1 TYR 60 20.425 0.563 -0.657 487 HD2 TYR 60 HD2 TYR 60 24.312 -1.135 -0.325 488 HE1 TYR 60 HE1 TYR 60 20.108 -0.569 -2.818 489 HE2 TYR 60 HE2 TYR 60 24.007 -2.271 -2.485 490 HH TYR 60 HH TYR 60 21.516 -3.005 -3.841 491 H ASP 61 H ASP 61 21.924 1.684 3.722 492 HA ASP 61 HA ASP 61 23.669 0.630 5.783 493 HB2 ASP 61 HB2 ASP 61 24.407 2.987 4.063 494 HB3 ASP 61 HB3 ASP 61 25.014 2.833 5.710 495 H LEU 62 H LEU 62 23.168 1.400 7.767 496 HA LEU 62 HA LEU 62 21.005 3.377 7.898 497 HB2 LEU 62 HB2 LEU 62 20.481 2.488 10.054 498 HB3 LEU 62 HB3 LEU 62 20.646 1.151 8.917 499 HG LEU 62 HG LEU 62 23.006 1.885 10.576 500 HD11 LEU 62 HD11 LEU 62 22.137 0.337 12.351 501 HD12 LEU 62 HD12 LEU 62 20.548 0.483 11.601 502 HD13 LEU 62 HD13 LEU 62 21.342 1.909 12.268 503 HD21 LEU 62 HD21 LEU 62 22.384 -0.112 8.763 504 HD22 LEU 62 HD22 LEU 62 22.244 -0.903 10.334 505 HD23 LEU 62 HD23 LEU 62 23.748 -0.097 9.882 506 H SER 63 H SER 63 24.017 3.822 7.670 507 HA SER 63 HA SER 63 24.281 5.576 10.025 508 HB2 SER 63 HB2 SER 63 25.926 3.539 9.599 509 HB3 SER 63 HB3 SER 63 26.697 4.690 8.508 510 HG SER 63 HG SER 63 26.415 4.784 11.296 511 H ARG 64 H ARG 64 23.108 6.044 7.308 512 HA ARG 64 HA ARG 64 24.019 8.661 6.911 513 HB2 ARG 64 HB2 ARG 64 25.082 8.361 4.659 514 HB3 ARG 64 HB3 ARG 64 26.038 7.756 6.005 515 HG2 ARG 64 HG2 ARG 64 25.031 5.475 5.477 516 HG3 ARG 64 HG3 ARG 64 24.503 6.198 3.956 517 HD2 ARG 64 HD2 ARG 64 27.310 5.823 4.967 518 HD3 ARG 64 HD3 ARG 64 26.577 5.152 3.511 519 HE ARG 64 HE ARG 64 27.735 7.762 3.824 520 HH11 ARG 64 HH11 ARG 64 25.455 5.843 2.024 521 HH12 ARG 64 HH12 ARG 64 25.513 6.855 0.620 522 HH21 ARG 64 HH21 ARG 64 27.821 9.102 1.981 523 HH22 ARG 64 HH22 ARG 64 26.860 8.708 0.596 524 H ALA 65 H ALA 65 22.546 9.780 5.753 525 HA ALA 65 HA ALA 65 20.721 8.295 3.996 526 HB1 ALA 65 HB1 ALA 65 18.940 8.638 5.275 527 HB2 ALA 65 HB2 ALA 65 20.019 9.240 6.535 528 HB3 ALA 65 HB3 ALA 65 19.292 10.363 5.387 529 H ARG 66 H ARG 66 19.668 9.575 2.394 530 HA ARG 66 HA ARG 66 21.316 11.672 1.372 531 HB2 ARG 66 HB2 ARG 66 19.569 11.807 -0.417 532 HB3 ARG 66 HB3 ARG 66 20.256 10.204 -0.195 533 HG2 ARG 66 HG2 ARG 66 18.308 9.462 0.983 534 HG3 ARG 66 HG3 ARG 66 17.639 11.096 0.992 535 HD2 ARG 66 HD2 ARG 66 16.646 9.588 -0.730 536 HD3 ARG 66 HD3 ARG 66 17.354 11.067 -1.380 537 HE ARG 66 HE ARG 66 19.144 8.813 -1.381 538 HH11 ARG 66 HH11 ARG 66 16.660 10.511 -3.133 539 HH12 ARG 66 HH12 ARG 66 17.149 9.899 -4.678 540 HH21 ARG 66 HH21 ARG 66 19.798 8.002 -3.410 541 HH22 ARG 66 HH22 ARG 66 18.934 8.471 -4.834 542 H ILE 67 H ILE 67 21.140 13.804 1.637 543 HA ILE 67 HA ILE 67 19.161 14.862 3.426 544 HB ILE 67 HB ILE 67 21.296 16.264 1.816 545 HG12 ILE 67 HG12 ILE 67 22.166 14.706 3.511 546 HG13 ILE 67 HG13 ILE 67 22.503 16.378 3.944 547 HG21 ILE 67 HG21 ILE 67 20.886 18.108 3.508 548 HG22 ILE 67 HG22 ILE 67 19.653 17.890 2.267 549 HG23 ILE 67 HG23 ILE 67 19.380 17.276 3.897 550 HD11 ILE 67 HD11 ILE 67 21.187 14.390 5.461 551 HD12 ILE 67 HD12 ILE 67 21.530 16.064 5.899 552 HD13 ILE 67 HD13 ILE 67 20.015 15.656 5.094 553 H VAL 68 H VAL 68 17.312 15.874 2.953 554 HA VAL 68 HA VAL 68 16.756 16.468 0.119 555 HB VAL 68 HB VAL 68 14.606 16.010 2.164 556 HG11 VAL 68 HG11 VAL 68 13.470 16.701 0.349 557 HG12 VAL 68 HG12 VAL 68 14.796 16.323 -0.753 558 HG13 VAL 68 HG13 VAL 68 13.713 15.044 -0.204 559 HG21 VAL 68 HG21 VAL 68 15.419 13.929 2.431 560 HG22 VAL 68 HG22 VAL 68 14.700 13.643 0.846 561 HG23 VAL 68 HG23 VAL 68 16.417 14.020 0.979 562 H PHE 69 H PHE 69 15.201 18.242 -0.253 563 HA PHE 69 HA PHE 69 16.037 20.646 0.786 564 HB2 PHE 69 HB2 PHE 69 13.256 20.059 -0.250 565 HB3 PHE 69 HB3 PHE 69 14.038 21.635 -0.188 566 HD1 PHE 69 HD1 PHE 69 15.970 22.109 -1.667 567 HD2 PHE 69 HD2 PHE 69 13.666 18.549 -2.021 568 HE1 PHE 69 HE1 PHE 69 16.881 21.749 -3.924 569 HE2 PHE 69 HE2 PHE 69 14.573 18.182 -4.279 570 HZ PHE 69 HZ PHE 69 16.183 19.783 -5.233 571 H ARG 70 H ARG 70 14.735 22.243 2.054 572 HA ARG 70 HA ARG 70 14.389 21.461 4.663 573 HB2 ARG 70 HB2 ARG 70 13.474 23.582 5.086 574 HB3 ARG 70 HB3 ARG 70 14.508 23.825 3.685 575 HG2 ARG 70 HG2 ARG 70 11.543 23.363 3.501 576 HG3 ARG 70 HG3 ARG 70 12.286 24.962 3.581 577 HD2 ARG 70 HD2 ARG 70 12.309 24.821 1.340 578 HD3 ARG 70 HD3 ARG 70 13.728 23.806 1.592 579 HE ARG 70 HE ARG 70 12.500 21.970 0.953 580 HH11 ARG 70 HH11 ARG 70 10.379 24.682 1.469 581 HH12 ARG 70 HH12 ARG 70 8.995 23.898 0.782 582 HH21 ARG 70 HH21 ARG 70 10.686 20.927 0.045 583 HH22 ARG 70 HH22 ARG 70 9.171 21.761 -0.027 584 H ALA 71 H ALA 71 12.429 21.368 5.992 585 HA ALA 71 HA ALA 71 10.499 19.580 4.821 586 HB1 ALA 71 HB1 ALA 71 11.525 19.610 7.240 587 HB2 ALA 71 HB2 ALA 71 10.163 20.682 7.566 588 HB3 ALA 71 HB3 ALA 71 9.876 19.051 6.960 589 H LYS 72 H LYS 72 8.611 20.122 3.956 590 HA LYS 72 HA LYS 72 7.769 22.742 3.556 591 HB2 LYS 72 HB2 LYS 72 6.250 20.138 3.458 592 HB3 LYS 72 HB3 LYS 72 5.534 21.674 2.990 593 HG2 LYS 72 HG2 LYS 72 7.191 21.944 1.241 594 HG3 LYS 72 HG3 LYS 72 7.981 20.446 1.735 595 HD2 LYS 72 HD2 LYS 72 5.081 20.418 1.020 596 HD3 LYS 72 HD3 LYS 72 6.294 20.451 -0.262 597 HE2 LYS 72 HE2 LYS 72 7.329 18.497 1.220 598 HE3 LYS 72 HE3 LYS 72 5.640 18.316 1.693 599 HZ1 LYS 72 HZ1 LYS 72 5.273 17.247 -0.192 600 HZ2 LYS 72 HZ2 LYS 72 6.887 17.445 -0.659 601 HZ3 LYS 72 HZ3 LYS 72 5.735 18.609 -1.084 Start of MODEL 8 1 H1 MET 1 H MET 1 4.416 -1.957 -11.415 2 HA MET 1 HA MET 1 6.777 -3.327 -12.042 3 HB2 MET 1 HB2 MET 1 7.180 -1.462 -13.647 4 HB3 MET 1 HB3 MET 1 5.568 -2.155 -13.760 5 HG2 MET 1 HG2 MET 1 4.715 -0.284 -12.387 6 HG3 MET 1 HG3 MET 1 6.327 0.427 -12.416 7 HE1 MET 1 HE1 MET 1 4.695 2.676 -13.479 8 HE2 MET 1 HE2 MET 1 3.627 2.330 -14.839 9 HE3 MET 1 HE3 MET 1 3.401 1.490 -13.304 10 H ALA 2 H ALA 2 6.185 -0.609 -9.974 11 HA ALA 2 HA ALA 2 9.088 -0.343 -9.531 12 HB1 ALA 2 HB1 ALA 2 7.501 1.932 -8.652 13 HB2 ALA 2 HB2 ALA 2 8.959 1.882 -9.643 14 HB3 ALA 2 HB3 ALA 2 7.379 1.636 -10.387 15 H LYS 3 H LYS 3 9.840 -0.465 -7.475 16 HA LYS 3 HA LYS 3 7.968 -0.415 -5.241 17 HB2 LYS 3 HB2 LYS 3 9.853 -2.745 -5.585 18 HB3 LYS 3 HB3 LYS 3 8.587 -2.553 -4.380 19 HG2 LYS 3 HG2 LYS 3 6.881 -2.787 -6.058 20 HG3 LYS 3 HG3 LYS 3 8.096 -2.817 -7.338 21 HD2 LYS 3 HD2 LYS 3 9.038 -4.843 -5.954 22 HD3 LYS 3 HD3 LYS 3 7.386 -4.912 -5.337 23 HE2 LYS 3 HE2 LYS 3 6.521 -5.121 -7.589 24 HE3 LYS 3 HE3 LYS 3 8.141 -4.935 -8.258 25 HZ1 LYS 3 HZ1 LYS 3 8.550 -7.081 -7.957 26 HZ2 LYS 3 HZ2 LYS 3 6.912 -7.291 -7.591 27 HZ3 LYS 3 HZ3 LYS 3 8.031 -7.045 -6.347 28 H ASP 4 H ASP 4 8.912 0.090 -3.267 29 HA ASP 4 HA ASP 4 11.766 0.239 -2.964 30 HB2 ASP 4 HB2 ASP 4 10.133 2.706 -3.459 31 HB3 ASP 4 HB3 ASP 4 11.541 2.784 -2.404 32 H ASP 5 H ASP 5 12.406 0.882 -0.810 33 HA ASP 5 HA ASP 5 10.234 0.978 1.157 34 HB2 ASP 5 HB2 ASP 5 11.519 -0.651 2.581 35 HB3 ASP 5 HB3 ASP 5 10.816 -1.347 1.123 36 H VAL 6 H VAL 6 10.904 3.239 1.169 37 HA VAL 6 HA VAL 6 13.122 3.651 3.040 38 HB VAL 6 HB VAL 6 13.755 5.734 1.783 39 HG11 VAL 6 HG11 VAL 6 15.403 4.606 0.739 40 HG12 VAL 6 HG12 VAL 6 14.688 3.211 1.549 41 HG13 VAL 6 HG13 VAL 6 14.281 3.561 -0.132 42 HG21 VAL 6 HG21 VAL 6 12.416 4.514 -0.602 43 HG22 VAL 6 HG22 VAL 6 11.540 5.628 0.448 44 HG23 VAL 6 HG23 VAL 6 13.006 6.161 -0.375 45 H ILE 7 H ILE 7 12.923 5.485 4.367 46 HA ILE 7 HA ILE 7 10.359 6.916 4.212 47 HB ILE 7 HB ILE 7 10.146 6.814 6.661 48 HG12 ILE 7 HG12 ILE 7 11.666 4.662 7.457 49 HG13 ILE 7 HG13 ILE 7 12.770 5.529 6.396 50 HG21 ILE 7 HG21 ILE 7 9.110 5.128 5.062 51 HG22 ILE 7 HG22 ILE 7 10.366 4.014 5.600 52 HG23 ILE 7 HG23 ILE 7 9.207 4.662 6.760 53 HD11 ILE 7 HD11 ILE 7 11.923 6.148 9.079 54 HD12 ILE 7 HD12 ILE 7 13.258 6.808 8.134 55 HD13 ILE 7 HD13 ILE 7 11.644 7.502 7.984 56 H GLN 8 H GLN 8 10.508 9.059 4.473 57 HA GLN 8 HA GLN 8 13.138 10.190 5.017 58 HB2 GLN 8 HB2 GLN 8 12.224 12.273 4.167 59 HB3 GLN 8 HB3 GLN 8 11.873 10.964 3.046 60 HG2 GLN 8 HG2 GLN 8 9.604 10.814 4.189 61 HG3 GLN 8 HG3 GLN 8 10.002 12.369 4.918 62 HE21 GLN 8 HE21 GLN 8 7.809 12.097 3.309 63 HE22 GLN 8 HE22 GLN 8 8.061 12.952 1.829 64 H MET 9 H MET 9 13.681 11.164 6.863 65 HA MET 9 HA MET 9 11.555 11.631 8.845 66 HB2 MET 9 HB2 MET 9 14.498 11.309 9.425 67 HB3 MET 9 HB3 MET 9 13.163 11.253 10.568 68 HG2 MET 9 HG2 MET 9 12.427 9.235 9.006 69 HG3 MET 9 HG3 MET 9 14.163 9.182 8.710 70 HE1 MET 9 HE1 MET 9 11.543 7.494 10.782 71 HE2 MET 9 HE2 MET 9 11.899 7.951 12.448 72 HE3 MET 9 HE3 MET 9 11.343 9.169 11.298 73 H GLN 10 H GLN 10 12.018 13.424 10.404 74 HA GLN 10 HA GLN 10 13.109 15.728 8.937 75 HB2 GLN 10 HB2 GLN 10 11.143 15.718 11.234 76 HB3 GLN 10 HB3 GLN 10 11.657 17.123 10.308 77 HG2 GLN 10 HG2 GLN 10 10.412 14.836 8.870 78 HG3 GLN 10 HG3 GLN 10 9.385 15.919 9.808 79 HE21 GLN 10 HE21 GLN 10 11.963 15.983 7.378 80 HE22 GLN 10 HE22 GLN 10 11.337 17.330 6.497 81 H GLY 11 H GLY 11 15.115 16.205 9.552 82 HA2 GLY 11 HA2 GLY 11 15.695 16.219 12.448 83 HA3 GLY 11 HA3 GLY 11 16.846 15.569 11.289 84 H GLU 12 H GLU 12 17.590 17.564 13.026 85 HA GLU 12 HA GLU 12 17.659 19.974 11.338 86 HB2 GLU 12 HB2 GLU 12 16.700 20.391 13.527 87 HB3 GLU 12 HB3 GLU 12 18.094 19.662 14.312 88 HG2 GLU 12 HG2 GLU 12 19.518 21.447 13.468 89 HG3 GLU 12 HG3 GLU 12 18.134 22.174 12.654 90 H VAL 13 H VAL 13 19.582 20.859 10.724 91 HA VAL 13 HA VAL 13 21.848 19.181 10.583 92 HB VAL 13 HB VAL 13 21.626 22.151 10.078 93 HG11 VAL 13 HG11 VAL 13 23.834 20.190 9.505 94 HG12 VAL 13 HG12 VAL 13 23.689 21.742 8.677 95 HG13 VAL 13 HG13 VAL 13 23.922 21.691 10.425 96 HG21 VAL 13 HG21 VAL 13 20.212 20.547 8.702 97 HG22 VAL 13 HG22 VAL 13 21.276 21.632 7.807 98 HG23 VAL 13 HG23 VAL 13 21.731 19.944 8.040 99 H ILE 14 H ILE 14 23.653 19.034 11.796 100 HA ILE 14 HA ILE 14 23.873 20.838 14.117 101 HB ILE 14 HB ILE 14 23.257 18.504 14.724 102 HG12 ILE 14 HG12 ILE 14 26.006 19.395 15.621 103 HG13 ILE 14 HG13 ILE 14 24.477 19.950 16.295 104 HG21 ILE 14 HG21 ILE 14 26.017 17.769 13.774 105 HG22 ILE 14 HG22 ILE 14 24.778 16.696 14.422 106 HG23 ILE 14 HG23 ILE 14 24.548 17.459 12.849 107 HD11 ILE 14 HD11 ILE 14 25.941 17.437 16.729 108 HD12 ILE 14 HD12 ILE 14 24.912 18.363 17.822 109 HD13 ILE 14 HD13 ILE 14 24.186 17.303 16.614 110 H GLU 15 H GLU 15 25.517 19.186 11.521 111 HA GLU 15 HA GLU 15 27.819 20.935 11.901 112 HB2 GLU 15 HB2 GLU 15 28.053 18.510 12.966 113 HB3 GLU 15 HB3 GLU 15 28.427 18.079 11.303 114 HG2 GLU 15 HG2 GLU 15 29.835 20.347 12.649 115 HG3 GLU 15 HG3 GLU 15 30.350 18.680 12.901 116 H ASN 16 H ASN 16 29.007 21.325 10.016 117 HA ASN 16 HA ASN 16 27.920 20.165 7.542 118 HB2 ASN 16 HB2 ASN 16 28.420 22.564 6.590 119 HB3 ASN 16 HB3 ASN 16 26.902 22.240 7.422 120 HD21 ASN 16 HD21 ASN 16 26.615 23.007 9.537 121 HD22 ASN 16 HD22 ASN 16 27.577 24.298 10.163 122 H LEU 17 H LEU 17 29.384 19.737 5.946 123 HA LEU 17 HA LEU 17 32.127 20.683 6.228 124 HB2 LEU 17 HB2 LEU 17 31.247 17.839 6.434 125 HB3 LEU 17 HB3 LEU 17 32.803 18.213 5.698 126 HG LEU 17 HG LEU 17 31.995 18.999 8.496 127 HD11 LEU 17 HD11 LEU 17 33.364 17.210 9.283 128 HD12 LEU 17 HD12 LEU 17 33.875 16.806 7.645 129 HD13 LEU 17 HD13 LEU 17 32.204 16.538 8.138 130 HD21 LEU 17 HD21 LEU 17 33.645 20.489 7.518 131 HD22 LEU 17 HD22 LEU 17 34.642 19.110 7.053 132 HD23 LEU 17 HD23 LEU 17 34.387 19.479 8.759 133 HA PRO 18 HA PRO 18 32.090 20.825 1.842 134 HB2 PRO 18 HB2 PRO 18 34.657 20.192 1.227 135 HB3 PRO 18 HB3 PRO 18 34.197 21.736 1.953 136 HG2 PRO 18 HG2 PRO 18 35.328 19.291 3.258 137 HG3 PRO 18 HG3 PRO 18 35.743 20.994 3.524 138 HD2 PRO 18 HD2 PRO 18 34.117 19.614 5.192 139 HD3 PRO 18 HD3 PRO 18 33.926 21.354 4.895 140 H ASN 19 H ASN 19 33.283 19.453 -0.091 141 HA ASN 19 HA ASN 19 33.230 17.548 -1.331 142 HB2 ASN 19 HB2 ASN 19 33.163 15.911 1.189 143 HB3 ASN 19 HB3 ASN 19 33.933 15.538 -0.351 144 HD21 ASN 19 HD21 ASN 19 35.505 17.525 -0.940 145 HD22 ASN 19 HD22 ASN 19 36.665 17.843 0.301 146 H ALA 20 H ALA 20 30.777 18.824 -0.484 147 HA ALA 20 HA ALA 20 28.519 18.500 -0.452 148 HB1 ALA 20 HB1 ALA 20 29.400 17.398 -2.667 149 HB2 ALA 20 HB2 ALA 20 28.851 15.913 -1.889 150 HB3 ALA 20 HB3 ALA 20 27.714 17.229 -2.180 151 H THR 21 H THR 21 29.221 17.937 1.940 152 HA THR 21 HA THR 21 27.743 15.506 2.626 153 HB THR 21 HB THR 21 30.287 16.137 4.100 154 HG1 THR 21 HG1 THR 21 31.405 14.838 2.715 155 HG21 THR 21 HG21 THR 21 28.737 13.570 3.732 156 HG22 THR 21 HG22 THR 21 28.615 14.634 5.134 157 HG23 THR 21 HG23 THR 21 30.135 13.813 4.779 158 H PHE 22 H PHE 22 26.678 15.581 4.602 159 HA PHE 22 HA PHE 22 27.040 17.839 6.371 160 HB2 PHE 22 HB2 PHE 22 24.574 17.512 4.672 161 HB3 PHE 22 HB3 PHE 22 24.533 18.380 6.204 162 HD1 PHE 22 HD2 PHE 22 25.815 20.462 6.481 163 HD2 PHE 22 HD1 PHE 22 25.553 18.468 2.730 164 HE1 PHE 22 HE2 PHE 22 26.587 22.504 5.345 165 HE2 PHE 22 HE1 PHE 22 26.326 20.506 1.588 166 HZ PHE 22 HZ PHE 22 26.843 22.528 2.896 167 H ARG 23 H ARG 23 25.870 17.624 8.364 168 HA ARG 23 HA ARG 23 24.792 14.924 8.831 169 HB2 ARG 23 HB2 ARG 23 26.934 16.398 10.270 170 HB3 ARG 23 HB3 ARG 23 25.810 15.463 11.248 171 HG2 ARG 23 HG2 ARG 23 26.343 13.534 9.628 172 HG3 ARG 23 HG3 ARG 23 27.739 14.512 9.170 173 HD2 ARG 23 HD2 ARG 23 28.185 14.646 11.710 174 HD3 ARG 23 HD3 ARG 23 27.086 13.271 11.819 175 HE ARG 23 HE ARG 23 28.896 12.557 9.901 176 HH11 ARG 23 HH11 ARG 23 29.091 13.581 13.223 177 HH12 ARG 23 HH12 ARG 23 30.531 12.676 13.554 178 HH21 ARG 23 HH21 ARG 23 30.791 11.361 10.324 179 HH22 ARG 23 HH22 ARG 23 31.497 11.413 11.904 180 H VAL 24 H VAL 24 22.909 14.822 9.908 181 HA VAL 24 HA VAL 24 21.981 17.184 11.381 182 HB VAL 24 HB VAL 24 19.810 17.146 10.372 183 HG11 VAL 24 HG11 VAL 24 20.438 18.333 8.584 184 HG12 VAL 24 HG12 VAL 24 22.089 17.923 9.053 185 HG13 VAL 24 HG13 VAL 24 21.249 16.953 7.843 186 HG21 VAL 24 HG21 VAL 24 19.584 14.743 10.056 187 HG22 VAL 24 HG22 VAL 24 19.226 15.602 8.557 188 HG23 VAL 24 HG23 VAL 24 20.777 14.787 8.757 189 H LYS 25 H LYS 25 20.702 16.757 13.138 190 HA LYS 25 HA LYS 25 20.497 13.932 13.895 191 HB2 LYS 25 HB2 LYS 25 21.692 15.404 15.451 192 HB3 LYS 25 HB3 LYS 25 20.272 16.434 15.580 193 HG2 LYS 25 HG2 LYS 25 19.041 14.411 16.458 194 HG3 LYS 25 HG3 LYS 25 20.615 13.620 16.574 195 HD2 LYS 25 HD2 LYS 25 19.939 16.250 17.887 196 HD3 LYS 25 HD3 LYS 25 19.839 14.684 18.696 197 HE2 LYS 25 HE2 LYS 25 22.190 14.329 18.441 198 HE3 LYS 25 HE3 LYS 25 22.345 15.744 17.402 199 HZ1 LYS 25 HZ1 LYS 25 23.085 16.105 19.722 200 HZ2 LYS 25 HZ2 LYS 25 21.494 15.861 20.243 201 HZ3 LYS 25 HZ3 LYS 25 21.862 17.168 19.234 202 H LEU 26 H LEU 26 18.588 12.934 14.157 203 HA LEU 26 HA LEU 26 16.191 14.304 13.335 204 HB2 LEU 26 HB2 LEU 26 16.237 11.534 14.458 205 HB3 LEU 26 HB3 LEU 26 15.187 12.215 13.217 206 HG LEU 26 HG LEU 26 17.696 12.335 12.070 207 HD11 LEU 26 HD11 LEU 26 19.019 10.695 12.778 208 HD12 LEU 26 HD12 LEU 26 17.695 9.531 12.785 209 HD13 LEU 26 HD13 LEU 26 17.964 10.567 14.186 210 HD21 LEU 26 HD21 LEU 26 16.737 11.054 10.460 211 HD22 LEU 26 HD22 LEU 26 15.279 11.470 11.362 212 HD23 LEU 26 HD23 LEU 26 16.059 9.908 11.617 213 H GLU 27 H GLU 27 14.462 12.620 15.044 214 HA GLU 27 HA GLU 27 14.439 14.393 17.363 215 HB2 GLU 27 HB2 GLU 27 12.170 13.767 17.673 216 HB3 GLU 27 HB3 GLU 27 12.385 14.003 15.944 217 HG2 GLU 27 HG2 GLU 27 11.192 12.061 15.959 218 HG3 GLU 27 HG3 GLU 27 12.837 11.427 15.955 219 H ASN 28 H ASN 28 14.815 11.019 16.517 220 HA ASN 28 HA ASN 28 14.534 9.901 19.081 221 HB2 ASN 28 HB2 ASN 28 15.834 9.035 16.531 222 HB3 ASN 28 HB3 ASN 28 16.168 8.126 18.002 223 HD21 ASN 28 HD21 ASN 28 14.325 8.119 15.367 224 HD22 ASN 28 HD22 ASN 28 12.915 7.319 15.963 225 H GLY 29 H GLY 29 16.975 11.874 17.759 226 HA2 GLY 29 HA2 GLY 29 18.647 12.868 19.128 227 HA3 GLY 29 HA3 GLY 29 18.601 11.449 20.165 228 H HIS 30 H HIS 30 18.622 10.718 16.848 229 HA HIS 30 HA HIS 30 21.454 9.959 17.040 230 HB2 HIS 30 HB2 HIS 30 19.302 8.926 15.181 231 HB3 HIS 30 HB3 HIS 30 20.964 8.348 15.245 232 HD1 HIS 30 HD1 HIS 30 18.456 6.538 15.777 233 HD2 HIS 30 HD2 HIS 30 20.814 8.314 18.701 234 HE1 HIS 30 HE1 HIS 30 18.126 5.145 17.845 235 H VAL 31 H VAL 31 22.933 10.592 15.528 236 HA VAL 31 HA VAL 31 22.076 12.739 13.727 237 HB VAL 31 HB VAL 31 24.530 13.216 13.527 238 HG11 VAL 31 HG11 VAL 31 22.903 13.473 15.974 239 HG12 VAL 31 HG12 VAL 31 24.628 13.801 16.151 240 HG13 VAL 31 HG13 VAL 31 23.671 14.714 14.983 241 HG21 VAL 31 HG21 VAL 31 24.738 10.704 14.790 242 HG22 VAL 31 HG22 VAL 31 26.043 11.787 14.306 243 HG23 VAL 31 HG23 VAL 31 25.357 11.901 15.927 244 H VAL 32 H VAL 32 22.008 12.467 11.594 245 HA VAL 32 HA VAL 32 23.112 9.988 10.472 246 HB VAL 32 HB VAL 32 21.643 10.453 8.524 247 HG11 VAL 32 HG11 VAL 32 20.363 10.273 11.244 248 HG12 VAL 32 HG12 VAL 32 19.489 10.013 9.732 249 HG13 VAL 32 HG13 VAL 32 20.822 8.947 10.177 250 HG21 VAL 32 HG21 VAL 32 21.515 13.013 9.625 251 HG22 VAL 32 HG22 VAL 32 20.619 12.407 8.232 252 HG23 VAL 32 HG23 VAL 32 19.901 12.335 9.841 253 H LEU 33 H LEU 33 24.569 9.988 8.823 254 HA LEU 33 HA LEU 33 25.552 12.616 7.922 255 HB2 LEU 33 HB2 LEU 33 27.781 11.561 7.717 256 HB3 LEU 33 HB3 LEU 33 27.184 11.644 9.373 257 HG LEU 33 HG LEU 33 26.407 9.177 8.859 258 HD11 LEU 33 HD11 LEU 33 27.697 9.786 6.480 259 HD12 LEU 33 HD12 LEU 33 27.236 8.183 7.054 260 HD13 LEU 33 HD13 LEU 33 28.857 8.802 7.372 261 HD21 LEU 33 HD21 LEU 33 28.375 10.311 10.336 262 HD22 LEU 33 HD22 LEU 33 29.316 9.276 9.261 263 HD23 LEU 33 HD23 LEU 33 28.050 8.579 10.272 264 H GLY 34 H GLY 34 25.867 12.920 5.772 265 HA2 GLY 34 HA2 GLY 34 26.261 10.900 3.861 266 HA3 GLY 34 HA3 GLY 34 24.543 11.263 3.931 267 H HIS 35 H HIS 35 24.811 11.926 1.694 268 HA HIS 35 HA HIS 35 25.983 14.619 1.458 269 HB2 HIS 35 HB2 HIS 35 26.192 14.129 -0.980 270 HB3 HIS 35 HB3 HIS 35 27.175 13.078 0.034 271 HD1 HIS 35 HD1 HIS 35 24.257 13.053 -2.284 272 HD2 HIS 35 HD2 HIS 35 26.394 10.376 0.067 273 HE1 HIS 35 HE1 HIS 35 23.516 10.767 -3.026 274 H ILE 36 H ILE 36 24.815 16.218 0.397 275 HA ILE 36 HA ILE 36 21.947 15.867 0.472 276 HB ILE 36 HB ILE 36 22.987 17.938 1.322 277 HG12 ILE 36 HG12 ILE 36 20.641 17.701 0.066 278 HG13 ILE 36 HG13 ILE 36 21.213 19.241 0.698 279 HG21 ILE 36 HG21 ILE 36 23.771 18.302 -1.561 280 HG22 ILE 36 HG22 ILE 36 23.761 19.612 -0.383 281 HG23 ILE 36 HG23 ILE 36 24.829 18.228 -0.153 282 HD11 ILE 36 HD11 ILE 36 20.261 19.119 -1.697 283 HD12 ILE 36 HD12 ILE 36 21.725 20.056 -1.398 284 HD13 ILE 36 HD13 ILE 36 21.838 18.446 -2.109 285 H SER 37 H SER 37 20.528 16.092 -1.254 286 HA SER 37 HA SER 37 21.612 16.364 -3.943 287 HB2 SER 37 HB2 SER 37 21.683 13.920 -3.382 288 HB3 SER 37 HB3 SER 37 19.931 13.964 -3.187 289 HG SER 37 HG SER 37 21.041 13.413 -5.360 290 H GLY 38 H GLY 38 20.056 16.921 -5.516 291 HA2 GLY 38 HA2 GLY 38 17.515 17.010 -5.837 292 HA3 GLY 38 HA3 GLY 38 17.548 17.931 -4.341 293 H LYS 39 H LYS 39 16.453 19.545 -5.721 294 HA LYS 39 HA LYS 39 18.168 20.925 -7.629 295 HB2 LYS 39 HB2 LYS 39 16.240 22.144 -8.286 296 HB3 LYS 39 HB3 LYS 39 15.714 20.482 -8.054 297 HG2 LYS 39 HG2 LYS 39 14.803 21.061 -5.872 298 HG3 LYS 39 HG3 LYS 39 15.354 22.725 -6.076 299 HD2 LYS 39 HD2 LYS 39 13.947 22.538 -8.308 300 HD3 LYS 39 HD3 LYS 39 13.105 21.286 -7.391 301 HE2 LYS 39 HE2 LYS 39 13.595 24.039 -6.288 302 HE3 LYS 39 HE3 LYS 39 12.172 23.651 -7.252 303 HZ1 LYS 39 HZ1 LYS 39 12.048 23.481 -4.699 304 HZ2 LYS 39 HZ2 LYS 39 12.855 22.009 -4.905 305 HZ3 LYS 39 HZ3 LYS 39 11.348 22.256 -5.633 306 H MET 40 H MET 40 17.025 21.224 -4.374 307 HA MET 40 HA MET 40 17.265 23.947 -3.915 308 HB2 MET 40 HB2 MET 40 17.460 21.506 -2.242 309 HB3 MET 40 HB3 MET 40 18.123 22.983 -1.555 310 HG2 MET 40 HG2 MET 40 15.860 22.739 -0.832 311 HG3 MET 40 HG3 MET 40 15.956 24.096 -1.952 312 HE1 MET 40 HE1 MET 40 13.122 23.990 -2.537 313 HE2 MET 40 HE2 MET 40 12.409 22.384 -2.388 314 HE3 MET 40 HE3 MET 40 13.385 23.042 -1.074 315 H ARG 41 H ARG 41 19.713 21.613 -4.547 316 HA ARG 41 HA ARG 41 21.855 23.246 -3.467 317 HB2 ARG 41 HB2 ARG 41 23.314 21.461 -4.025 318 HB3 ARG 41 HB3 ARG 41 21.843 20.715 -3.414 319 HG2 ARG 41 HG2 ARG 41 21.167 20.589 -5.912 320 HG3 ARG 41 HG3 ARG 41 22.892 20.814 -6.207 321 HD2 ARG 41 HD2 ARG 41 23.277 18.883 -4.616 322 HD3 ARG 41 HD3 ARG 41 21.540 18.591 -4.697 323 HE ARG 41 HE ARG 41 22.243 18.622 -7.292 324 HH11 ARG 41 HH11 ARG 41 23.543 16.954 -4.526 325 HH12 ARG 41 HH12 ARG 41 24.089 15.589 -5.443 326 HH21 ARG 41 HH21 ARG 41 22.958 16.830 -8.510 327 HH22 ARG 41 HH22 ARG 41 23.757 15.520 -7.708 328 H MET 42 H MET 42 20.266 22.685 -6.489 329 HA MET 42 HA MET 42 22.378 23.771 -8.116 330 HB2 MET 42 HB2 MET 42 19.540 22.932 -8.638 331 HB3 MET 42 HB3 MET 42 20.466 23.794 -9.860 332 HG2 MET 42 HG2 MET 42 22.191 22.017 -9.727 333 HG3 MET 42 HG3 MET 42 21.136 21.135 -8.625 334 HE1 MET 42 HE1 MET 42 22.556 20.685 -11.529 335 HE2 MET 42 HE2 MET 42 21.404 20.233 -12.786 336 HE3 MET 42 HE3 MET 42 21.796 21.932 -12.517 337 H HIS 43 H HIS 43 19.533 24.964 -6.494 338 HA HIS 43 HA HIS 43 19.599 27.516 -7.866 339 HB2 HIS 43 HB2 HIS 43 17.922 26.524 -5.552 340 HB3 HIS 43 HB3 HIS 43 17.738 28.102 -6.312 341 HD1 HIS 43 HD1 HIS 43 17.564 27.638 -9.183 342 HD2 HIS 43 HD2 HIS 43 15.990 24.899 -6.483 343 HE1 HIS 43 HE1 HIS 43 15.854 26.324 -10.477 344 H TYR 44 H TYR 44 21.236 26.107 -5.308 345 HA TYR 44 HA TYR 44 22.678 26.901 -3.739 346 HB2 TYR 44 HB2 TYR 44 22.402 29.606 -5.046 347 HB3 TYR 44 HB3 TYR 44 23.767 28.986 -4.124 348 HD1 TYR 44 HD2 TYR 44 24.423 26.464 -5.236 349 HD2 TYR 44 HD1 TYR 44 22.979 29.921 -7.253 350 HE1 TYR 44 HE2 TYR 44 25.479 25.684 -7.316 351 HE2 TYR 44 HE1 TYR 44 24.029 29.150 -9.339 352 HH TYR 44 HH TYR 44 24.804 26.349 -10.081 353 H ILE 45 H ILE 45 20.612 26.538 -2.440 354 HA ILE 45 HA ILE 45 19.287 28.922 -1.487 355 HB ILE 45 HB ILE 45 17.985 27.456 -0.078 356 HG12 ILE 45 HG12 ILE 45 18.651 24.867 -0.609 357 HG13 ILE 45 HG13 ILE 45 20.242 25.620 -0.571 358 HG21 ILE 45 HG21 ILE 45 17.161 27.553 -2.281 359 HG22 ILE 45 HG22 ILE 45 18.421 26.478 -2.885 360 HG23 ILE 45 HG23 ILE 45 17.143 25.843 -1.848 361 HD11 ILE 45 HD11 ILE 45 20.007 26.265 1.655 362 HD12 ILE 45 HD12 ILE 45 18.258 26.040 1.631 363 HD13 ILE 45 HD13 ILE 45 19.328 24.639 1.594 364 H ARG 46 H ARG 46 19.139 29.390 0.851 365 HA ARG 46 HA ARG 46 21.743 29.659 1.976 366 HB2 ARG 46 HB2 ARG 46 20.568 30.714 3.876 367 HB3 ARG 46 HB3 ARG 46 20.072 31.382 2.326 368 HG2 ARG 46 HG2 ARG 46 18.178 29.550 2.554 369 HG3 ARG 46 HG3 ARG 46 18.541 29.750 4.270 370 HD2 ARG 46 HD2 ARG 46 17.841 31.980 2.362 371 HD3 ARG 46 HD3 ARG 46 16.726 31.231 3.504 372 HE ARG 46 HE ARG 46 18.679 33.223 4.079 373 HH11 ARG 46 HH11 ARG 46 17.026 30.463 5.408 374 HH12 ARG 46 HH12 ARG 46 17.202 30.984 7.051 375 HH21 ARG 46 HH21 ARG 46 18.917 33.921 6.238 376 HH22 ARG 46 HH22 ARG 46 18.276 32.952 7.521 377 H ILE 47 H ILE 47 22.815 28.209 3.130 378 HA ILE 47 HA ILE 47 21.279 26.207 4.655 379 HB ILE 47 HB ILE 47 23.956 25.816 3.311 380 HG12 ILE 47 HG12 ILE 47 21.237 24.645 2.684 381 HG13 ILE 47 HG13 ILE 47 22.078 25.858 1.726 382 HG21 ILE 47 HG21 ILE 47 23.734 23.479 4.024 383 HG22 ILE 47 HG22 ILE 47 23.807 24.582 5.397 384 HG23 ILE 47 HG23 ILE 47 22.261 23.895 4.901 385 HD11 ILE 47 HD11 ILE 47 22.633 22.951 2.017 386 HD12 ILE 47 HD12 ILE 47 22.552 23.947 0.563 387 HD13 ILE 47 HD13 ILE 47 23.955 24.050 1.626 388 H LEU 48 H LEU 48 21.940 25.730 6.718 389 HA LEU 48 HA LEU 48 24.419 26.590 7.816 390 HB2 LEU 48 HB2 LEU 48 23.134 28.093 9.540 391 HB3 LEU 48 HB3 LEU 48 23.722 28.750 8.014 392 HG LEU 48 HG LEU 48 21.440 28.483 7.076 393 HD11 LEU 48 HD11 LEU 48 20.528 26.739 8.393 394 HD12 LEU 48 HD12 LEU 48 19.595 28.189 8.761 395 HD13 LEU 48 HD13 LEU 48 20.823 27.621 9.891 396 HD21 LEU 48 HD21 LEU 48 22.356 30.567 8.265 397 HD22 LEU 48 HD22 LEU 48 21.290 30.107 9.593 398 HD23 LEU 48 HD23 LEU 48 20.616 30.458 8.001 399 HA PRO 49 HA PRO 49 23.409 23.583 10.847 400 HB2 PRO 49 HB2 PRO 49 24.659 24.546 13.056 401 HB3 PRO 49 HB3 PRO 49 25.531 23.854 11.683 402 HG2 PRO 49 HG2 PRO 49 25.039 26.728 12.361 403 HG3 PRO 49 HG3 PRO 49 26.524 25.955 11.777 404 HD2 PRO 49 HD2 PRO 49 24.870 27.347 10.147 405 HD3 PRO 49 HD3 PRO 49 25.811 25.951 9.586 406 H GLY 50 H GLY 50 21.566 23.197 11.899 407 HA2 GLY 50 HA2 GLY 50 20.170 23.594 13.835 408 HA3 GLY 50 HA3 GLY 50 20.468 25.314 13.633 409 H ASP 51 H ASP 51 19.965 23.798 10.673 410 HA ASP 51 HA ASP 51 17.247 24.888 10.559 411 HB2 ASP 51 HB2 ASP 51 18.816 25.718 8.873 412 HB3 ASP 51 HB3 ASP 51 19.126 24.070 8.333 413 H LYS 52 H LYS 52 15.490 23.677 9.966 414 HA LYS 52 HA LYS 52 15.710 20.833 10.372 415 HB2 LYS 52 HB2 LYS 52 13.417 22.721 9.907 416 HB3 LYS 52 HB3 LYS 52 13.176 20.979 9.868 417 HG2 LYS 52 HG2 LYS 52 14.432 21.117 12.191 418 HG3 LYS 52 HG3 LYS 52 13.796 22.763 12.156 419 HD2 LYS 52 HD2 LYS 52 11.988 21.788 13.097 420 HD3 LYS 52 HD3 LYS 52 11.595 21.391 11.423 421 HE2 LYS 52 HE2 LYS 52 12.470 19.196 11.651 422 HE3 LYS 52 HE3 LYS 52 13.209 19.580 13.205 423 HZ1 LYS 52 HZ1 LYS 52 10.981 19.860 14.132 424 HZ2 LYS 52 HZ2 LYS 52 11.202 18.301 13.514 425 HZ3 LYS 52 HZ3 LYS 52 10.295 19.434 12.645 426 H VAL 53 H VAL 53 15.992 19.357 8.842 427 HA VAL 53 HA VAL 53 15.022 19.890 6.128 428 HB VAL 53 HB VAL 53 17.062 19.152 5.090 429 HG11 VAL 53 HG11 VAL 53 18.247 21.032 7.027 430 HG12 VAL 53 HG12 VAL 53 18.142 21.126 5.268 431 HG13 VAL 53 HG13 VAL 53 16.749 21.558 6.260 432 HG21 VAL 53 HG21 VAL 53 17.843 18.486 7.889 433 HG22 VAL 53 HG22 VAL 53 18.039 17.545 6.410 434 HG23 VAL 53 HG23 VAL 53 19.099 18.918 6.729 435 H THR 54 H THR 54 14.914 17.937 4.789 436 HA THR 54 HA THR 54 14.053 15.667 6.390 437 HB THR 54 HB THR 54 13.885 15.300 3.507 438 HG1 THR 54 HG1 THR 54 13.352 17.305 3.066 439 HG21 THR 54 HG21 THR 54 11.976 14.263 4.081 440 HG22 THR 54 HG22 THR 54 11.422 15.625 5.055 441 HG23 THR 54 HG23 THR 54 12.544 14.450 5.739 442 H VAL 55 H VAL 55 14.854 13.577 6.195 443 HA VAL 55 HA VAL 55 17.209 13.146 4.520 444 HB VAL 55 HB VAL 55 18.375 12.040 6.469 445 HG11 VAL 55 HG11 VAL 55 19.531 13.959 6.970 446 HG12 VAL 55 HG12 VAL 55 18.690 14.459 5.502 447 HG13 VAL 55 HG13 VAL 55 18.070 14.940 7.082 448 HG21 VAL 55 HG21 VAL 55 17.415 11.930 8.470 449 HG22 VAL 55 HG22 VAL 55 17.161 13.675 8.495 450 HG23 VAL 55 HG23 VAL 55 15.954 12.618 7.762 451 H GLU 56 H GLU 56 17.337 11.124 3.715 452 HA GLU 56 HA GLU 56 15.256 9.231 4.547 453 HB2 GLU 56 HB2 GLU 56 16.107 10.085 2.028 454 HB3 GLU 56 HB3 GLU 56 16.756 8.459 2.187 455 HG2 GLU 56 HG2 GLU 56 14.640 7.507 2.417 456 HG3 GLU 56 HG3 GLU 56 13.885 9.055 2.791 457 H LEU 57 H LEU 57 15.744 7.388 5.552 458 HA LEU 57 HA LEU 57 18.586 6.652 5.772 459 HB2 LEU 57 HB2 LEU 57 16.329 6.656 7.665 460 HB3 LEU 57 HB3 LEU 57 17.394 5.254 7.754 461 HG LEU 57 HG LEU 57 18.334 8.111 7.985 462 HD11 LEU 57 HD11 LEU 57 18.628 6.797 10.430 463 HD12 LEU 57 HD12 LEU 57 16.987 6.434 9.896 464 HD13 LEU 57 HD13 LEU 57 17.514 8.110 10.047 465 HD21 LEU 57 HD21 LEU 57 19.801 5.698 8.952 466 HD22 LEU 57 HD22 LEU 57 20.424 7.275 8.466 467 HD23 LEU 57 HD23 LEU 57 19.866 6.132 7.244 468 H THR 58 H THR 58 19.256 4.655 5.200 469 HA THR 58 HA THR 58 17.249 2.880 3.998 470 HB THR 58 HB THR 58 19.530 1.771 3.163 471 HG1 THR 58 HG1 THR 58 21.076 3.065 3.922 472 HG21 THR 58 HG21 THR 58 19.202 4.012 1.459 473 HG22 THR 58 HG22 THR 58 17.611 3.588 2.090 474 HG23 THR 58 HG23 THR 58 18.576 2.378 1.245 475 HA PRO 59 HA PRO 59 17.794 -0.301 6.971 476 HB2 PRO 59 HB2 PRO 59 17.713 -2.540 5.438 477 HB3 PRO 59 HB3 PRO 59 16.287 -1.548 5.766 478 HG2 PRO 59 HG2 PRO 59 18.051 -1.586 3.348 479 HG3 PRO 59 HG3 PRO 59 16.282 -1.507 3.441 480 HD2 PRO 59 HD2 PRO 59 17.817 0.678 2.991 481 HD3 PRO 59 HD3 PRO 59 16.281 0.756 3.879 482 H TYR 60 H TYR 60 20.039 -0.046 4.343 483 HA TYR 60 HA TYR 60 21.835 -2.087 4.930 484 HB2 TYR 60 HB2 TYR 60 22.141 0.616 3.662 485 HB3 TYR 60 HB3 TYR 60 23.554 -0.392 3.950 486 HD1 TYR 60 HD1 TYR 60 20.226 -0.396 2.286 487 HD2 TYR 60 HD2 TYR 60 24.136 -2.067 2.427 488 HE1 TYR 60 HE1 TYR 60 19.776 -1.610 0.195 489 HE2 TYR 60 HE2 TYR 60 23.697 -3.285 0.335 490 HH TYR 60 HH TYR 60 21.269 -2.573 -1.732 491 H ASP 61 H ASP 61 21.619 1.190 6.249 492 HA ASP 61 HA ASP 61 22.905 0.363 8.679 493 HB2 ASP 61 HB2 ASP 61 24.403 1.861 6.606 494 HB3 ASP 61 HB3 ASP 61 24.565 2.447 8.259 495 H LEU 62 H LEU 62 22.765 1.943 10.348 496 HA LEU 62 HA LEU 62 20.680 3.935 9.827 497 HB2 LEU 62 HB2 LEU 62 20.658 2.096 11.700 498 HB3 LEU 62 HB3 LEU 62 21.660 3.262 12.562 499 HG LEU 62 HG LEU 62 19.061 4.176 11.424 500 HD11 LEU 62 HD11 LEU 62 18.031 3.516 13.646 501 HD12 LEU 62 HD12 LEU 62 19.397 2.417 13.836 502 HD13 LEU 62 HD13 LEU 62 18.290 2.220 12.477 503 HD21 LEU 62 HD21 LEU 62 19.650 5.989 12.557 504 HD22 LEU 62 HD22 LEU 62 21.086 5.170 13.174 505 HD23 LEU 62 HD23 LEU 62 19.562 5.063 14.056 506 H SER 63 H SER 63 24.014 3.675 10.349 507 HA SER 63 HA SER 63 24.263 6.378 11.430 508 HB2 SER 63 HB2 SER 63 26.527 4.501 10.750 509 HB3 SER 63 HB3 SER 63 26.545 5.872 11.860 510 HG SER 63 HG SER 63 26.385 3.766 12.876 511 H ARG 64 H ARG 64 23.195 6.160 8.825 512 HA ARG 64 HA ARG 64 24.757 8.038 7.445 513 HB2 ARG 64 HB2 ARG 64 25.417 6.642 5.487 514 HB3 ARG 64 HB3 ARG 64 26.286 6.246 6.964 515 HG2 ARG 64 HG2 ARG 64 24.630 4.376 7.299 516 HG3 ARG 64 HG3 ARG 64 24.063 4.704 5.660 517 HD2 ARG 64 HD2 ARG 64 26.781 3.772 6.543 518 HD3 ARG 64 HD3 ARG 64 25.641 2.953 5.476 519 HE ARG 64 HE ARG 64 27.577 4.899 4.730 520 HH11 ARG 64 HH11 ARG 64 24.385 3.724 3.990 521 HH12 ARG 64 HH12 ARG 64 24.435 4.243 2.338 522 HH21 ARG 64 HH21 ARG 64 27.656 5.587 2.557 523 HH22 ARG 64 HH22 ARG 64 26.297 5.302 1.523 524 H ALA 65 H ALA 65 23.181 9.198 6.575 525 HA ALA 65 HA ALA 65 21.100 7.822 5.027 526 HB1 ALA 65 HB1 ALA 65 19.990 10.141 6.301 527 HB2 ALA 65 HB2 ALA 65 19.448 8.463 6.363 528 HB3 ALA 65 HB3 ALA 65 20.654 9.043 7.512 529 H ARG 66 H ARG 66 20.107 9.115 3.388 530 HA ARG 66 HA ARG 66 21.945 10.980 2.195 531 HB2 ARG 66 HB2 ARG 66 20.433 10.978 0.304 532 HB3 ARG 66 HB3 ARG 66 20.685 9.326 0.852 533 HG2 ARG 66 HG2 ARG 66 18.528 9.503 2.105 534 HG3 ARG 66 HG3 ARG 66 18.270 11.057 1.310 535 HD2 ARG 66 HD2 ARG 66 18.591 8.377 -0.034 536 HD3 ARG 66 HD3 ARG 66 17.099 9.304 0.116 537 HE ARG 66 HE ARG 66 18.907 10.950 -1.168 538 HH11 ARG 66 HH11 ARG 66 17.406 7.862 -1.747 539 HH12 ARG 66 HH12 ARG 66 17.445 8.021 -3.472 540 HH21 ARG 66 HH21 ARG 66 18.964 11.170 -3.438 541 HH22 ARG 66 HH22 ARG 66 18.332 9.902 -4.433 542 H ILE 67 H ILE 67 21.886 13.133 2.291 543 HA ILE 67 HA ILE 67 19.946 14.437 3.954 544 HB ILE 67 HB ILE 67 22.304 15.424 2.373 545 HG12 ILE 67 HG12 ILE 67 22.978 16.137 4.735 546 HG13 ILE 67 HG13 ILE 67 21.625 15.163 5.301 547 HG21 ILE 67 HG21 ILE 67 21.845 17.655 3.453 548 HG22 ILE 67 HG22 ILE 67 20.754 17.200 2.146 549 HG23 ILE 67 HG23 ILE 67 20.231 17.051 3.823 550 HD11 ILE 67 HD11 ILE 67 23.338 13.716 3.463 551 HD12 ILE 67 HD12 ILE 67 24.197 14.295 4.891 552 HD13 ILE 67 HD13 ILE 67 22.769 13.276 5.074 553 H VAL 68 H VAL 68 18.276 15.738 3.382 554 HA VAL 68 HA VAL 68 17.776 16.107 0.500 555 HB VAL 68 HB VAL 68 15.538 15.795 2.476 556 HG11 VAL 68 HG11 VAL 68 14.568 14.830 0.221 557 HG12 VAL 68 HG12 VAL 68 14.625 16.567 0.525 558 HG13 VAL 68 HG13 VAL 68 15.857 15.806 -0.482 559 HG21 VAL 68 HG21 VAL 68 17.323 13.704 1.433 560 HG22 VAL 68 HG22 VAL 68 16.279 13.701 2.855 561 HG23 VAL 68 HG23 VAL 68 15.598 13.377 1.261 562 H PHE 69 H PHE 69 16.293 17.914 0.010 563 HA PHE 69 HA PHE 69 17.171 20.328 0.986 564 HB2 PHE 69 HB2 PHE 69 14.911 21.213 0.104 565 HB3 PHE 69 HB3 PHE 69 15.990 20.416 -1.036 566 HD1 PHE 69 HD2 PHE 69 13.314 19.420 1.372 567 HD2 PHE 69 HD1 PHE 69 14.984 19.001 -2.521 568 HE1 PHE 69 HE2 PHE 69 11.514 17.853 0.772 569 HE2 PHE 69 HE1 PHE 69 13.186 17.434 -3.127 570 HZ PHE 69 HZ PHE 69 11.449 16.857 -1.479 571 H ARG 70 H ARG 70 15.911 22.008 2.168 572 HA ARG 70 HA ARG 70 15.427 21.290 4.786 573 HB2 ARG 70 HB2 ARG 70 14.324 23.486 5.031 574 HB3 ARG 70 HB3 ARG 70 15.834 23.593 4.137 575 HG2 ARG 70 HG2 ARG 70 14.579 24.869 2.769 576 HG3 ARG 70 HG3 ARG 70 14.143 23.300 2.087 577 HD2 ARG 70 HD2 ARG 70 12.161 24.662 2.468 578 HD3 ARG 70 HD3 ARG 70 12.153 23.238 3.507 579 HE ARG 70 HE ARG 70 12.302 24.609 5.342 580 HH11 ARG 70 HH11 ARG 70 12.980 26.443 2.462 581 HH12 ARG 70 HH12 ARG 70 12.961 27.973 3.274 582 HH21 ARG 70 HH21 ARG 70 12.274 26.618 6.423 583 HH22 ARG 70 HH22 ARG 70 12.560 28.071 5.527 584 H ALA 71 H ALA 71 13.504 21.140 6.045 585 HA ALA 71 HA ALA 71 11.453 19.592 4.783 586 HB1 ALA 71 HB1 ALA 71 11.693 20.644 7.598 587 HB2 ALA 71 HB2 ALA 71 10.449 19.523 7.043 588 HB3 ALA 71 HB3 ALA 71 12.144 19.039 7.024 589 H LYS 72 H LYS 72 9.521 20.220 4.043 590 HA LYS 72 HA LYS 72 8.864 23.057 4.142 591 HB2 LYS 72 HB2 LYS 72 8.814 21.612 2.021 592 HB3 LYS 72 HB3 LYS 72 7.330 20.924 2.669 593 HG2 LYS 72 HG2 LYS 72 6.387 23.227 2.768 594 HG3 LYS 72 HG3 LYS 72 7.835 23.799 1.936 595 HD2 LYS 72 HD2 LYS 72 6.282 21.543 0.755 596 HD3 LYS 72 HD3 LYS 72 5.661 23.187 0.593 597 HE2 LYS 72 HE2 LYS 72 6.940 22.980 -1.313 598 HE3 LYS 72 HE3 LYS 72 8.081 23.729 -0.198 599 HZ1 LYS 72 HZ1 LYS 72 8.348 21.311 -1.564 600 HZ2 LYS 72 HZ2 LYS 72 8.242 20.943 0.084 601 HZ3 LYS 72 HZ3 LYS 72 9.430 22.013 -0.469 Start of MODEL 9 1 H1 MET 1 H MET 1 9.556 -7.929 -9.745 2 HA MET 1 HA MET 1 12.062 -8.439 -8.807 3 HB2 MET 1 HB2 MET 1 12.894 -7.030 -10.738 4 HB3 MET 1 HB3 MET 1 11.744 -8.294 -11.153 5 HG2 MET 1 HG2 MET 1 9.946 -6.577 -11.128 6 HG3 MET 1 HG3 MET 1 11.189 -5.351 -10.891 7 HE1 MET 1 HE1 MET 1 12.485 -4.215 -13.089 8 HE2 MET 1 HE2 MET 1 13.394 -5.546 -12.373 9 HE3 MET 1 HE3 MET 1 13.227 -5.435 -14.126 10 H ALA 2 H ALA 2 10.227 -5.529 -8.406 11 HA ALA 2 HA ALA 2 12.524 -4.304 -7.020 12 HB1 ALA 2 HB1 ALA 2 10.524 -3.109 -8.876 13 HB2 ALA 2 HB2 ALA 2 11.178 -2.118 -7.572 14 HB3 ALA 2 HB3 ALA 2 12.263 -2.837 -8.762 15 H LYS 3 H LYS 3 12.023 -2.996 -5.172 16 HA LYS 3 HA LYS 3 9.388 -3.541 -3.978 17 HB2 LYS 3 HB2 LYS 3 11.966 -3.518 -2.412 18 HB3 LYS 3 HB3 LYS 3 10.373 -4.008 -1.852 19 HG2 LYS 3 HG2 LYS 3 11.961 -5.442 -3.971 20 HG3 LYS 3 HG3 LYS 3 11.891 -5.906 -2.269 21 HD2 LYS 3 HD2 LYS 3 9.326 -5.557 -3.733 22 HD3 LYS 3 HD3 LYS 3 10.293 -6.992 -4.082 23 HE2 LYS 3 HE2 LYS 3 10.148 -7.763 -1.877 24 HE3 LYS 3 HE3 LYS 3 9.649 -6.187 -1.264 25 HZ1 LYS 3 HZ1 LYS 3 8.042 -8.321 -2.184 26 HZ2 LYS 3 HZ2 LYS 3 7.745 -6.946 -3.123 27 HZ3 LYS 3 HZ3 LYS 3 7.567 -6.877 -1.443 28 H ASP 4 H ASP 4 9.120 -2.105 -1.931 29 HA ASP 4 HA ASP 4 10.258 0.561 -2.416 30 HB2 ASP 4 HB2 ASP 4 7.350 0.061 -1.760 31 HB3 ASP 4 HB3 ASP 4 8.106 1.613 -2.113 32 H ASP 5 H ASP 5 11.618 0.429 -0.655 33 HA ASP 5 HA ASP 5 10.275 0.407 1.965 34 HB2 ASP 5 HB2 ASP 5 13.080 -0.616 1.574 35 HB3 ASP 5 HB3 ASP 5 12.002 -0.865 2.945 36 H VAL 6 H VAL 6 10.272 2.768 1.406 37 HA VAL 6 HA VAL 6 12.785 3.988 2.337 38 HB VAL 6 HB VAL 6 12.174 5.982 0.888 39 HG11 VAL 6 HG11 VAL 6 12.804 3.525 -0.721 40 HG12 VAL 6 HG12 VAL 6 13.399 5.172 -0.945 41 HG13 VAL 6 HG13 VAL 6 13.950 4.213 0.429 42 HG21 VAL 6 HG21 VAL 6 9.841 5.236 0.462 43 HG22 VAL 6 HG22 VAL 6 10.736 5.634 -1.005 44 HG23 VAL 6 HG23 VAL 6 10.482 3.947 -0.556 45 H ILE 7 H ILE 7 12.577 5.864 3.598 46 HA ILE 7 HA ILE 7 9.920 6.806 4.296 47 HB ILE 7 HB ILE 7 10.279 6.514 6.718 48 HG12 ILE 7 HG12 ILE 7 12.123 4.444 6.889 49 HG13 ILE 7 HG13 ILE 7 12.877 5.581 5.777 50 HG21 ILE 7 HG21 ILE 7 9.575 4.267 6.819 51 HG22 ILE 7 HG22 ILE 7 9.031 4.865 5.252 52 HG23 ILE 7 HG23 ILE 7 10.463 3.841 5.356 53 HD11 ILE 7 HD11 ILE 7 11.849 7.087 7.922 54 HD12 ILE 7 HD12 ILE 7 12.691 5.699 8.611 55 HD13 ILE 7 HD13 ILE 7 13.535 6.784 7.505 56 H GLN 8 H GLN 8 9.950 8.938 4.591 57 HA GLN 8 HA GLN 8 12.526 10.289 4.757 58 HB2 GLN 8 HB2 GLN 8 11.238 12.332 4.275 59 HB3 GLN 8 HB3 GLN 8 10.956 11.078 3.075 60 HG2 GLN 8 HG2 GLN 8 8.850 10.501 4.213 61 HG3 GLN 8 HG3 GLN 8 9.126 11.824 5.344 62 HE21 GLN 8 HE21 GLN 8 6.835 11.911 4.052 63 HE22 GLN 8 HE22 GLN 8 6.844 13.101 2.800 64 H MET 9 H MET 9 13.313 11.140 6.567 65 HA MET 9 HA MET 9 11.517 11.368 8.887 66 HB2 MET 9 HB2 MET 9 14.335 10.520 8.567 67 HB3 MET 9 HB3 MET 9 13.976 11.486 9.992 68 HG2 MET 9 HG2 MET 9 12.752 9.855 10.964 69 HG3 MET 9 HG3 MET 9 12.150 9.238 9.428 70 HE1 MET 9 HE1 MET 9 14.422 6.802 11.895 71 HE2 MET 9 HE2 MET 9 13.083 7.936 12.076 72 HE3 MET 9 HE3 MET 9 12.918 6.539 11.011 73 H GLN 10 H GLN 10 11.871 13.149 10.361 74 HA GLN 10 HA GLN 10 12.771 15.559 8.942 75 HB2 GLN 10 HB2 GLN 10 10.973 15.386 11.363 76 HB3 GLN 10 HB3 GLN 10 11.313 16.820 10.403 77 HG2 GLN 10 HG2 GLN 10 10.020 14.387 9.220 78 HG3 GLN 10 HG3 GLN 10 9.089 15.648 10.026 79 HE21 GLN 10 HE21 GLN 10 10.739 14.709 7.188 80 HE22 GLN 10 HE22 GLN 10 10.447 16.141 6.268 81 H GLY 11 H GLY 11 14.778 16.135 9.462 82 HA2 GLY 11 HA2 GLY 11 15.529 16.064 12.317 83 HA3 GLY 11 HA3 GLY 11 16.645 15.539 11.065 84 H GLU 12 H GLU 12 17.750 17.333 12.521 85 HA GLU 12 HA GLU 12 17.556 19.819 10.967 86 HB2 GLU 12 HB2 GLU 12 16.451 20.329 13.027 87 HB3 GLU 12 HB3 GLU 12 17.719 19.557 13.968 88 HG2 GLU 12 HG2 GLU 12 19.295 21.293 13.246 89 HG3 GLU 12 HG3 GLU 12 17.997 22.078 12.349 90 H VAL 13 H VAL 13 19.471 20.779 10.452 91 HA VAL 13 HA VAL 13 21.808 19.232 10.427 92 HB VAL 13 HB VAL 13 21.537 22.220 10.072 93 HG11 VAL 13 HG11 VAL 13 23.814 21.860 10.434 94 HG12 VAL 13 HG12 VAL 13 23.801 20.316 9.579 95 HG13 VAL 13 HG13 VAL 13 23.656 21.826 8.678 96 HG21 VAL 13 HG21 VAL 13 21.506 21.720 7.680 97 HG22 VAL 13 HG22 VAL 13 21.570 19.994 8.034 98 HG23 VAL 13 HG23 VAL 13 20.159 20.939 8.510 99 H ILE 14 H ILE 14 23.470 19.013 11.800 100 HA ILE 14 HA ILE 14 23.502 20.733 14.194 101 HB ILE 14 HB ILE 14 22.915 18.353 14.642 102 HG12 ILE 14 HG12 ILE 14 24.702 18.033 16.423 103 HG13 ILE 14 HG13 ILE 14 25.485 19.467 15.770 104 HG21 ILE 14 HG21 ILE 14 25.736 17.815 13.721 105 HG22 ILE 14 HG22 ILE 14 24.642 16.642 14.453 106 HG23 ILE 14 HG23 ILE 14 24.265 17.335 12.875 107 HD11 ILE 14 HD11 ILE 14 22.662 19.866 16.346 108 HD12 ILE 14 HD12 ILE 14 23.617 19.429 17.763 109 HD13 ILE 14 HD13 ILE 14 24.065 20.835 16.797 110 H GLU 15 H GLU 15 25.368 19.250 11.645 111 HA GLU 15 HA GLU 15 27.534 21.105 12.133 112 HB2 GLU 15 HB2 GLU 15 27.805 18.764 13.416 113 HB3 GLU 15 HB3 GLU 15 28.449 18.295 11.849 114 HG2 GLU 15 HG2 GLU 15 30.269 18.977 13.210 115 HG3 GLU 15 HG3 GLU 15 30.015 20.223 11.989 116 H ASN 16 H ASN 16 29.085 21.162 10.374 117 HA ASN 16 HA ASN 16 28.030 19.991 7.884 118 HB2 ASN 16 HB2 ASN 16 27.636 22.459 8.084 119 HB3 ASN 16 HB3 ASN 16 29.382 22.684 8.138 120 HD21 ASN 16 HD21 ASN 16 27.566 23.742 6.207 121 HD22 ASN 16 HD22 ASN 16 28.023 23.101 4.670 122 H LEU 17 H LEU 17 29.397 18.575 7.043 123 HA LEU 17 HA LEU 17 32.276 18.911 7.554 124 HB2 LEU 17 HB2 LEU 17 30.532 16.520 7.160 125 HB3 LEU 17 HB3 LEU 17 32.242 16.423 6.746 126 HG LEU 17 HG LEU 17 31.174 17.148 9.473 127 HD11 LEU 17 HD11 LEU 17 31.845 14.918 10.149 128 HD12 LEU 17 HD12 LEU 17 32.341 14.544 8.499 129 HD13 LEU 17 HD13 LEU 17 30.640 14.832 8.864 130 HD21 LEU 17 HD21 LEU 17 33.958 16.510 8.502 131 HD22 LEU 17 HD22 LEU 17 33.493 16.775 10.182 132 HD23 LEU 17 HD23 LEU 17 33.367 18.091 9.014 133 HA PRO 18 HA PRO 18 33.170 19.493 3.298 134 HB2 PRO 18 HB2 PRO 18 35.476 18.091 2.997 135 HB3 PRO 18 HB3 PRO 18 35.388 19.619 3.882 136 HG2 PRO 18 HG2 PRO 18 35.405 16.817 4.936 137 HG3 PRO 18 HG3 PRO 18 36.273 18.242 5.535 138 HD2 PRO 18 HD2 PRO 18 33.995 17.336 6.684 139 HD3 PRO 18 HD3 PRO 18 34.426 19.058 6.645 140 H ASN 19 H ASN 19 34.257 17.982 1.391 141 HA ASN 19 HA ASN 19 33.874 16.328 -0.123 142 HB2 ASN 19 HB2 ASN 19 32.703 14.611 2.049 143 HB3 ASN 19 HB3 ASN 19 33.627 14.121 0.633 144 HD21 ASN 19 HD21 ASN 19 33.811 14.126 3.792 145 HD22 ASN 19 HD22 ASN 19 35.497 14.416 4.040 146 H ALA 20 H ALA 20 31.781 18.285 0.706 147 HA ALA 20 HA ALA 20 29.604 18.780 0.253 148 HB1 ALA 20 HB1 ALA 20 30.509 17.923 -1.993 149 HB2 ALA 20 HB2 ALA 20 29.566 16.470 -1.658 150 HB3 ALA 20 HB3 ALA 20 28.761 18.034 -1.788 151 H THR 21 H THR 21 29.545 17.648 2.545 152 HA THR 21 HA THR 21 27.193 15.942 2.488 153 HB THR 21 HB THR 21 28.570 14.630 4.436 154 HG1 THR 21 HG1 THR 21 30.578 15.430 4.012 155 HG21 THR 21 HG21 THR 21 28.115 12.839 3.155 156 HG22 THR 21 HG22 THR 21 29.018 13.476 1.780 157 HG23 THR 21 HG23 THR 21 27.358 14.000 2.065 158 H PHE 22 H PHE 22 25.878 16.218 4.235 159 HA PHE 22 HA PHE 22 26.879 17.945 6.401 160 HB2 PHE 22 HB2 PHE 22 24.089 18.022 5.236 161 HB3 PHE 22 HB3 PHE 22 24.744 19.086 6.476 162 HD1 PHE 22 HD2 PHE 22 27.378 19.746 5.359 163 HD2 PHE 22 HD1 PHE 22 23.583 19.418 3.460 164 HE1 PHE 22 HE2 PHE 22 28.117 21.319 3.618 165 HE2 PHE 22 HE1 PHE 22 24.317 20.991 1.716 166 HZ PHE 22 HZ PHE 22 26.586 21.945 1.794 167 H ARG 23 H ARG 23 25.838 17.686 8.458 168 HA ARG 23 HA ARG 23 24.625 15.021 8.793 169 HB2 ARG 23 HB2 ARG 23 26.495 16.569 10.580 170 HB3 ARG 23 HB3 ARG 23 25.557 15.200 11.161 171 HG2 ARG 23 HG2 ARG 23 26.621 13.830 9.346 172 HG3 ARG 23 HG3 ARG 23 27.691 15.201 9.046 173 HD2 ARG 23 HD2 ARG 23 28.829 14.918 11.004 174 HD3 ARG 23 HD3 ARG 23 27.436 14.231 11.839 175 HE ARG 23 HE ARG 23 28.292 12.450 9.839 176 HH11 ARG 23 HH11 ARG 23 29.292 13.718 12.923 177 HH12 ARG 23 HH12 ARG 23 30.197 12.306 13.357 178 HH21 ARG 23 HH21 ARG 23 29.479 10.585 10.399 179 HH22 ARG 23 HH22 ARG 23 30.303 10.525 11.921 180 H VAL 24 H VAL 24 22.716 14.864 9.823 181 HA VAL 24 HA VAL 24 21.698 17.205 11.276 182 HB VAL 24 HB VAL 24 19.522 17.032 10.240 183 HG11 VAL 24 HG11 VAL 24 20.896 17.067 7.716 184 HG12 VAL 24 HG12 VAL 24 20.194 18.405 8.627 185 HG13 VAL 24 HG13 VAL 24 21.852 17.894 8.945 186 HG21 VAL 24 HG21 VAL 24 19.491 14.627 9.840 187 HG22 VAL 24 HG22 VAL 24 19.099 15.512 8.366 188 HG23 VAL 24 HG23 VAL 24 20.704 14.811 8.572 189 H LYS 25 H LYS 25 20.475 16.752 13.049 190 HA LYS 25 HA LYS 25 20.380 13.952 13.869 191 HB2 LYS 25 HB2 LYS 25 19.904 14.825 16.104 192 HB3 LYS 25 HB3 LYS 25 21.344 15.575 15.430 193 HG2 LYS 25 HG2 LYS 25 19.562 17.387 14.654 194 HG3 LYS 25 HG3 LYS 25 18.704 16.754 16.061 195 HD2 LYS 25 HD2 LYS 25 21.588 17.585 16.206 196 HD3 LYS 25 HD3 LYS 25 20.274 18.745 16.421 197 HE2 LYS 25 HE2 LYS 25 19.534 17.733 18.376 198 HE3 LYS 25 HE3 LYS 25 20.325 16.202 17.999 199 HZ1 LYS 25 HZ1 LYS 25 21.529 17.288 19.733 200 HZ2 LYS 25 HZ2 LYS 25 21.643 18.723 18.845 201 HZ3 LYS 25 HZ3 LYS 25 22.476 17.344 18.332 202 H LEU 26 H LEU 26 18.577 12.786 13.821 203 HA LEU 26 HA LEU 26 16.101 13.990 12.972 204 HB2 LEU 26 HB2 LEU 26 16.440 11.145 13.858 205 HB3 LEU 26 HB3 LEU 26 15.286 11.807 12.703 206 HG LEU 26 HG LEU 26 18.228 11.314 12.296 207 HD11 LEU 26 HD11 LEU 26 16.069 10.364 10.489 208 HD12 LEU 26 HD12 LEU 26 16.290 9.545 12.035 209 HD13 LEU 26 HD13 LEU 26 17.623 9.629 10.884 210 HD21 LEU 26 HD21 LEU 26 17.889 12.242 10.032 211 HD22 LEU 26 HD22 LEU 26 17.721 13.454 11.302 212 HD23 LEU 26 HD23 LEU 26 16.285 12.789 10.523 213 H GLU 27 H GLU 27 14.479 11.991 14.451 214 HA GLU 27 HA GLU 27 13.974 13.621 16.780 215 HB2 GLU 27 HB2 GLU 27 12.591 11.066 15.954 216 HB3 GLU 27 HB3 GLU 27 11.994 12.278 17.078 217 HG2 GLU 27 HG2 GLU 27 10.819 12.910 15.261 218 HG3 GLU 27 HG3 GLU 27 12.287 13.833 14.943 219 H ASN 28 H ASN 28 15.154 10.373 16.084 220 HA ASN 28 HA ASN 28 15.182 9.401 18.722 221 HB2 ASN 28 HB2 ASN 28 16.526 8.652 16.169 222 HB3 ASN 28 HB3 ASN 28 17.171 7.979 17.663 223 HD21 ASN 28 HD21 ASN 28 16.318 6.146 18.314 224 HD22 ASN 28 HD22 ASN 28 14.765 5.532 17.873 225 H GLY 29 H GLY 29 17.101 11.759 17.190 226 HA2 GLY 29 HA2 GLY 29 18.523 13.180 18.485 227 HA3 GLY 29 HA3 GLY 29 18.873 11.815 19.535 228 H HIS 30 H HIS 30 19.200 10.112 17.046 229 HA HIS 30 HA HIS 30 22.021 10.405 16.832 230 HB2 HIS 30 HB2 HIS 30 21.919 8.544 15.282 231 HB3 HIS 30 HB3 HIS 30 20.844 8.227 16.641 232 HD1 HIS 30 HD1 HIS 30 20.650 7.038 13.657 233 HD2 HIS 30 HD2 HIS 30 18.301 10.033 15.324 234 HE1 HIS 30 HE1 HIS 30 18.516 7.038 12.327 235 H VAL 31 H VAL 31 23.276 11.035 15.068 236 HA VAL 31 HA VAL 31 21.929 12.899 13.247 237 HB VAL 31 HB VAL 31 24.121 13.871 12.837 238 HG11 VAL 31 HG11 VAL 31 23.252 13.517 15.681 239 HG12 VAL 31 HG12 VAL 31 24.662 14.501 15.283 240 HG13 VAL 31 HG13 VAL 31 23.078 14.921 14.629 241 HG21 VAL 31 HG21 VAL 31 25.532 11.941 12.951 242 HG22 VAL 31 HG22 VAL 31 26.076 13.085 14.178 243 HG23 VAL 31 HG23 VAL 31 25.122 11.678 14.646 244 H VAL 32 H VAL 32 21.895 12.615 11.090 245 HA VAL 32 HA VAL 32 23.220 10.208 10.030 246 HB VAL 32 HB VAL 32 21.534 10.124 8.307 247 HG11 VAL 32 HG11 VAL 32 21.107 9.507 10.896 248 HG12 VAL 32 HG12 VAL 32 19.762 10.612 10.611 249 HG13 VAL 32 HG13 VAL 32 19.952 9.175 9.606 250 HG21 VAL 32 HG21 VAL 32 20.659 12.057 7.620 251 HG22 VAL 32 HG22 VAL 32 19.572 11.946 9.004 252 HG23 VAL 32 HG23 VAL 32 21.069 12.869 9.131 253 H LEU 33 H LEU 33 24.492 10.327 8.233 254 HA LEU 33 HA LEU 33 25.170 13.034 7.315 255 HB2 LEU 33 HB2 LEU 33 27.002 11.754 8.283 256 HB3 LEU 33 HB3 LEU 33 26.720 10.454 7.126 257 HG LEU 33 HG LEU 33 27.173 12.465 5.414 258 HD11 LEU 33 HD11 LEU 33 27.559 14.181 7.013 259 HD12 LEU 33 HD12 LEU 33 29.122 13.753 6.318 260 HD13 LEU 33 HD13 LEU 33 28.681 13.168 7.922 261 HD21 LEU 33 HD21 LEU 33 28.907 10.455 6.730 262 HD22 LEU 33 HD22 LEU 33 29.699 11.690 5.751 263 HD23 LEU 33 HD23 LEU 33 28.474 10.644 5.031 264 H GLY 34 H GLY 34 24.944 13.630 5.228 265 HA2 GLY 34 HA2 GLY 34 24.664 11.691 3.113 266 HA3 GLY 34 HA3 GLY 34 23.161 12.511 3.512 267 H HIS 35 H HIS 35 23.547 13.062 1.132 268 HA HIS 35 HA HIS 35 25.029 15.605 1.010 269 HB2 HIS 35 HB2 HIS 35 25.574 15.141 -1.326 270 HB3 HIS 35 HB3 HIS 35 26.193 13.862 -0.285 271 HD1 HIS 35 HD1 HIS 35 24.101 14.441 -3.215 272 HD2 HIS 35 HD2 HIS 35 24.576 11.438 -0.384 273 HE1 HIS 35 HE1 HIS 35 23.008 12.404 -4.205 274 H ILE 36 H ILE 36 24.091 17.281 -0.162 275 HA ILE 36 HA ILE 36 21.209 17.105 -0.407 276 HB ILE 36 HB ILE 36 22.053 19.091 0.635 277 HG12 ILE 36 HG12 ILE 36 21.017 20.812 -0.737 278 HG13 ILE 36 HG13 ILE 36 21.171 19.803 -2.171 279 HG21 ILE 36 HG21 ILE 36 24.076 19.822 0.075 280 HG22 ILE 36 HG22 ILE 36 24.042 18.929 -1.444 281 HG23 ILE 36 HG23 ILE 36 23.347 20.547 -1.357 282 HD11 ILE 36 HD11 ILE 36 18.997 19.974 -0.440 283 HD12 ILE 36 HD12 ILE 36 19.238 18.815 -1.749 284 HD13 ILE 36 HD13 ILE 36 19.740 18.409 -0.108 285 H SER 37 H SER 37 20.046 17.135 -2.257 286 HA SER 37 HA SER 37 21.438 17.554 -4.801 287 HB2 SER 37 HB2 SER 37 19.996 15.532 -5.641 288 HB3 SER 37 HB3 SER 37 21.525 15.230 -4.815 289 HG SER 37 HG SER 37 18.941 14.697 -4.010 290 H GLY 38 H GLY 38 20.050 18.091 -6.567 291 HA2 GLY 38 HA2 GLY 38 17.531 18.260 -7.087 292 HA3 GLY 38 HA3 GLY 38 17.514 19.274 -5.652 293 H LYS 39 H LYS 39 16.548 20.548 -7.662 294 HA LYS 39 HA LYS 39 18.646 21.907 -9.160 295 HB2 LYS 39 HB2 LYS 39 16.884 22.879 -10.462 296 HB3 LYS 39 HB3 LYS 39 16.521 21.170 -10.260 297 HG2 LYS 39 HG2 LYS 39 14.924 21.709 -8.497 298 HG3 LYS 39 HG3 LYS 39 15.295 23.425 -8.682 299 HD2 LYS 39 HD2 LYS 39 13.454 23.317 -10.018 300 HD3 LYS 39 HD3 LYS 39 14.679 22.884 -11.212 301 HE2 LYS 39 HE2 LYS 39 12.802 21.360 -11.355 302 HE3 LYS 39 HE3 LYS 39 14.233 20.505 -10.779 303 HZ1 LYS 39 HZ1 LYS 39 11.715 20.821 -9.517 304 HZ2 LYS 39 HZ2 LYS 39 12.942 21.428 -8.523 305 HZ3 LYS 39 HZ3 LYS 39 13.013 19.830 -9.075 306 H MET 40 H MET 40 16.720 22.351 -6.359 307 HA MET 40 HA MET 40 16.965 25.234 -6.327 308 HB2 MET 40 HB2 MET 40 15.021 23.879 -5.356 309 HB3 MET 40 HB3 MET 40 16.103 23.494 -4.024 310 HG2 MET 40 HG2 MET 40 15.137 25.311 -3.116 311 HG3 MET 40 HG3 MET 40 16.385 26.145 -4.038 312 HE1 MET 40 HE1 MET 40 13.085 27.337 -3.120 313 HE2 MET 40 HE2 MET 40 11.971 26.598 -4.271 314 HE3 MET 40 HE3 MET 40 12.936 25.581 -3.200 315 H ARG 41 H ARG 41 18.800 22.534 -5.306 316 HA ARG 41 HA ARG 41 20.217 23.886 -3.196 317 HB2 ARG 41 HB2 ARG 41 21.600 21.888 -3.108 318 HB3 ARG 41 HB3 ARG 41 19.900 21.442 -3.177 319 HG2 ARG 41 HG2 ARG 41 20.135 20.373 -5.126 320 HG3 ARG 41 HG3 ARG 41 21.195 21.616 -5.793 321 HD2 ARG 41 HD2 ARG 41 23.016 20.692 -4.317 322 HD3 ARG 41 HD3 ARG 41 21.936 19.344 -3.962 323 HE ARG 41 HE ARG 41 22.018 19.416 -6.678 324 HH11 ARG 41 HH11 ARG 41 24.432 19.254 -4.174 325 HH12 ARG 41 HH12 ARG 41 25.560 18.360 -5.139 326 HH21 ARG 41 HH21 ARG 41 23.495 18.240 -7.958 327 HH22 ARG 41 HH22 ARG 41 25.026 17.785 -7.292 328 H MET 42 H MET 42 20.413 23.783 -6.592 329 HA MET 42 HA MET 42 23.237 24.317 -6.782 330 HB2 MET 42 HB2 MET 42 21.417 23.332 -8.537 331 HB3 MET 42 HB3 MET 42 21.494 25.008 -9.065 332 HG2 MET 42 HG2 MET 42 23.109 24.037 -10.366 333 HG3 MET 42 HG3 MET 42 24.061 24.632 -9.008 334 HE1 MET 42 HE1 MET 42 22.094 20.772 -9.388 335 HE2 MET 42 HE2 MET 42 22.255 21.955 -10.686 336 HE3 MET 42 HE3 MET 42 23.357 20.580 -10.604 337 H HIS 43 H HIS 43 20.724 26.125 -5.714 338 HA HIS 43 HA HIS 43 21.439 28.631 -6.977 339 HB2 HIS 43 HB2 HIS 43 19.395 27.795 -4.945 340 HB3 HIS 43 HB3 HIS 43 19.765 29.501 -5.178 341 HD1 HIS 43 HD1 HIS 43 19.810 29.943 -8.069 342 HD2 HIS 43 HD2 HIS 43 17.177 27.223 -6.357 343 HE1 HIS 43 HE1 HIS 43 17.948 29.669 -9.737 344 H TYR 44 H TYR 44 22.946 26.840 -4.761 345 HA TYR 44 HA TYR 44 24.404 27.210 -3.049 346 HB2 TYR 44 HB2 TYR 44 24.695 29.979 -4.214 347 HB3 TYR 44 HB3 TYR 44 25.898 29.051 -3.325 348 HD1 TYR 44 HD2 TYR 44 26.427 26.673 -4.465 349 HD2 TYR 44 HD1 TYR 44 24.951 30.106 -6.498 350 HE1 TYR 44 HE2 TYR 44 27.319 25.795 -6.582 351 HE2 TYR 44 HE1 TYR 44 25.838 29.238 -8.621 352 HH TYR 44 HH TYR 44 27.786 27.583 -9.263 353 H ILE 45 H ILE 45 22.029 27.349 -2.000 354 HA ILE 45 HA ILE 45 21.298 29.843 -0.846 355 HB ILE 45 HB ILE 45 19.614 28.712 0.292 356 HG12 ILE 45 HG12 ILE 45 20.941 27.174 1.590 357 HG13 ILE 45 HG13 ILE 45 19.696 26.254 0.752 358 HG21 ILE 45 HG21 ILE 45 19.949 28.232 -2.353 359 HG22 ILE 45 HG22 ILE 45 19.806 26.590 -1.729 360 HG23 ILE 45 HG23 ILE 45 18.522 27.762 -1.429 361 HD11 ILE 45 HD11 ILE 45 22.627 26.402 0.148 362 HD12 ILE 45 HD12 ILE 45 21.654 24.990 0.559 363 HD13 ILE 45 HD13 ILE 45 21.455 25.772 -1.009 364 H ARG 46 H ARG 46 20.981 29.815 1.695 365 HA ARG 46 HA ARG 46 23.675 29.576 2.791 366 HB2 ARG 46 HB2 ARG 46 22.845 30.971 4.621 367 HB3 ARG 46 HB3 ARG 46 22.504 31.711 3.062 368 HG2 ARG 46 HG2 ARG 46 20.203 30.455 3.363 369 HG3 ARG 46 HG3 ARG 46 20.645 30.564 5.069 370 HD2 ARG 46 HD2 ARG 46 21.171 33.074 4.353 371 HD3 ARG 46 HD3 ARG 46 19.950 32.704 3.137 372 HE ARG 46 HE ARG 46 18.806 31.880 5.451 373 HH11 ARG 46 HH11 ARG 46 20.276 34.863 4.421 374 HH12 ARG 46 HH12 ARG 46 19.285 35.854 5.439 375 HH21 ARG 46 HH21 ARG 46 17.495 33.174 6.795 376 HH22 ARG 46 HH22 ARG 46 17.703 34.893 6.789 377 H ILE 47 H ILE 47 24.255 27.963 4.079 378 HA ILE 47 HA ILE 47 22.139 26.420 5.434 379 HB ILE 47 HB ILE 47 24.794 25.350 4.475 380 HG12 ILE 47 HG12 ILE 47 22.025 24.993 3.308 381 HG13 ILE 47 HG13 ILE 47 23.333 25.922 2.586 382 HG21 ILE 47 HG21 ILE 47 23.820 23.162 5.000 383 HG22 ILE 47 HG22 ILE 47 23.925 24.192 6.427 384 HG23 ILE 47 HG23 ILE 47 22.375 23.960 5.619 385 HD11 ILE 47 HD11 ILE 47 23.183 23.815 1.480 386 HD12 ILE 47 HD12 ILE 47 24.657 23.828 2.448 387 HD13 ILE 47 HD13 ILE 47 23.237 22.948 3.015 388 H LEU 48 H LEU 48 22.244 26.351 7.579 389 HA LEU 48 HA LEU 48 24.832 26.668 8.911 390 HB2 LEU 48 HB2 LEU 48 23.457 28.120 10.609 391 HB3 LEU 48 HB3 LEU 48 24.206 28.841 9.186 392 HG LEU 48 HG LEU 48 22.001 28.717 8.038 393 HD11 LEU 48 HD11 LEU 48 20.045 28.516 9.722 394 HD12 LEU 48 HD12 LEU 48 21.202 27.611 10.698 395 HD13 LEU 48 HD13 LEU 48 20.784 27.049 9.079 396 HD21 LEU 48 HD21 LEU 48 20.943 30.526 9.456 397 HD22 LEU 48 HD22 LEU 48 22.604 30.816 8.936 398 HD23 LEU 48 HD23 LEU 48 22.275 30.289 10.587 399 HA PRO 49 HA PRO 49 23.433 23.532 11.642 400 HB2 PRO 49 HB2 PRO 49 24.517 24.301 14.009 401 HB3 PRO 49 HB3 PRO 49 25.481 23.655 12.676 402 HG2 PRO 49 HG2 PRO 49 25.045 26.502 13.492 403 HG3 PRO 49 HG3 PRO 49 26.545 25.699 12.992 404 HD2 PRO 49 HD2 PRO 49 25.101 27.261 11.317 405 HD3 PRO 49 HD3 PRO 49 26.032 25.860 10.750 406 H GLY 50 H GLY 50 21.343 23.356 12.173 407 HA2 GLY 50 HA2 GLY 50 19.863 23.664 14.159 408 HA3 GLY 50 HA3 GLY 50 20.208 25.380 14.004 409 H ASP 51 H ASP 51 19.952 23.901 10.993 410 HA ASP 51 HA ASP 51 17.313 25.098 10.608 411 HB2 ASP 51 HB2 ASP 51 19.354 25.527 9.083 412 HB3 ASP 51 HB3 ASP 51 19.025 23.924 8.430 413 H LYS 52 H LYS 52 15.515 23.961 10.137 414 HA LYS 52 HA LYS 52 15.562 21.118 10.557 415 HB2 LYS 52 HB2 LYS 52 13.408 23.149 10.064 416 HB3 LYS 52 HB3 LYS 52 13.043 21.431 9.972 417 HG2 LYS 52 HG2 LYS 52 12.518 21.859 12.152 418 HG3 LYS 52 HG3 LYS 52 14.207 21.373 12.319 419 HD2 LYS 52 HD2 LYS 52 14.221 23.297 13.559 420 HD3 LYS 52 HD3 LYS 52 14.628 23.954 11.971 421 HE2 LYS 52 HE2 LYS 52 11.756 23.741 12.713 422 HE3 LYS 52 HE3 LYS 52 12.719 25.006 13.475 423 HZ1 LYS 52 HZ1 LYS 52 13.281 24.998 10.733 424 HZ2 LYS 52 HZ2 LYS 52 12.527 26.207 11.644 425 HZ3 LYS 52 HZ3 LYS 52 11.599 24.995 10.914 426 H VAL 53 H VAL 53 15.885 19.643 9.039 427 HA VAL 53 HA VAL 53 14.916 20.144 6.318 428 HB VAL 53 HB VAL 53 16.955 19.364 5.295 429 HG11 VAL 53 HG11 VAL 53 18.035 21.343 5.417 430 HG12 VAL 53 HG12 VAL 53 16.639 21.803 6.392 431 HG13 VAL 53 HG13 VAL 53 18.137 21.301 7.176 432 HG21 VAL 53 HG21 VAL 53 17.724 17.766 6.897 433 HG22 VAL 53 HG22 VAL 53 18.990 18.977 6.697 434 HG23 VAL 53 HG23 VAL 53 17.948 19.017 8.119 435 H THR 54 H THR 54 14.542 18.248 5.078 436 HA THR 54 HA THR 54 13.922 15.931 6.733 437 HB THR 54 HB THR 54 13.247 16.415 3.825 438 HG1 THR 54 HG1 THR 54 11.367 17.270 4.537 439 HG21 THR 54 HG21 THR 54 13.210 14.052 4.474 440 HG22 THR 54 HG22 THR 54 11.581 14.653 4.164 441 HG23 THR 54 HG23 THR 54 12.141 14.437 5.822 442 H VAL 55 H VAL 55 14.670 13.853 6.337 443 HA VAL 55 HA VAL 55 16.751 13.520 4.299 444 HB VAL 55 HB VAL 55 18.103 12.213 6.002 445 HG11 VAL 55 HG11 VAL 55 19.357 14.085 6.601 446 HG12 VAL 55 HG12 VAL 55 18.510 14.602 5.142 447 HG13 VAL 55 HG13 VAL 55 17.933 15.117 6.727 448 HG21 VAL 55 HG21 VAL 55 17.416 12.014 8.108 449 HG22 VAL 55 HG22 VAL 55 17.197 13.758 8.258 450 HG23 VAL 55 HG23 VAL 55 15.892 12.756 7.623 451 H GLU 56 H GLU 56 16.757 11.560 3.333 452 HA GLU 56 HA GLU 56 14.715 9.651 4.216 453 HB2 GLU 56 HB2 GLU 56 15.338 10.675 1.707 454 HB3 GLU 56 HB3 GLU 56 16.003 9.048 1.678 455 HG2 GLU 56 HG2 GLU 56 13.282 9.275 2.761 456 HG3 GLU 56 HG3 GLU 56 13.456 9.666 1.051 457 H LEU 57 H LEU 57 15.310 7.875 5.253 458 HA LEU 57 HA LEU 57 18.008 6.796 4.774 459 HB2 LEU 57 HB2 LEU 57 17.815 7.922 6.968 460 HB3 LEU 57 HB3 LEU 57 16.518 6.808 7.395 461 HG LEU 57 HG LEU 57 18.106 4.936 7.271 462 HD11 LEU 57 HD11 LEU 57 20.514 5.415 7.122 463 HD12 LEU 57 HD12 LEU 57 20.141 7.097 6.748 464 HD13 LEU 57 HD13 LEU 57 19.654 5.818 5.636 465 HD21 LEU 57 HD21 LEU 57 17.997 6.986 9.218 466 HD22 LEU 57 HD22 LEU 57 19.675 6.457 9.094 467 HD23 LEU 57 HD23 LEU 57 18.403 5.284 9.440 468 H THR 58 H THR 58 18.237 4.496 5.123 469 HA THR 58 HA THR 58 15.704 3.043 4.717 470 HB THR 58 HB THR 58 17.443 1.307 3.677 471 HG1 THR 58 HG1 THR 58 19.280 2.194 3.109 472 HG21 THR 58 HG21 THR 58 17.070 2.878 1.483 473 HG22 THR 58 HG22 THR 58 15.821 3.491 2.568 474 HG23 THR 58 HG23 THR 58 15.860 1.779 2.144 475 HA PRO 59 HA PRO 59 16.547 0.491 8.187 476 HB2 PRO 59 HB2 PRO 59 15.679 -1.937 7.338 477 HB3 PRO 59 HB3 PRO 59 14.582 -0.608 7.731 478 HG2 PRO 59 HG2 PRO 59 15.564 -1.527 5.056 479 HG3 PRO 59 HG3 PRO 59 13.929 -1.040 5.541 480 HD2 PRO 59 HD2 PRO 59 15.604 0.612 4.200 481 HD3 PRO 59 HD3 PRO 59 14.414 1.207 5.375 482 H TYR 60 H TYR 60 17.734 -0.691 5.079 483 HA TYR 60 HA TYR 60 19.410 -2.728 5.964 484 HB2 TYR 60 HB2 TYR 60 19.614 -0.868 3.597 485 HB3 TYR 60 HB3 TYR 60 20.746 -2.189 3.862 486 HD1 TYR 60 HD2 TYR 60 19.919 -4.542 3.827 487 HD2 TYR 60 HD1 TYR 60 17.437 -1.266 2.728 488 HE1 TYR 60 HE2 TYR 60 18.375 -6.095 2.709 489 HE2 TYR 60 HE1 TYR 60 15.885 -2.811 1.607 490 HH TYR 60 HH TYR 60 16.191 -6.264 1.910 491 H ASP 61 H ASP 61 20.037 0.741 5.635 492 HA ASP 61 HA ASP 61 22.306 0.441 7.462 493 HB2 ASP 61 HB2 ASP 61 22.574 2.273 5.101 494 HB3 ASP 61 HB3 ASP 61 23.835 1.574 6.114 495 H LEU 62 H LEU 62 22.071 1.789 9.109 496 HA LEU 62 HA LEU 62 20.391 4.173 8.752 497 HB2 LEU 62 HB2 LEU 62 20.167 4.151 11.198 498 HB3 LEU 62 HB3 LEU 62 19.588 2.666 10.446 499 HG LEU 62 HG LEU 62 22.005 1.810 11.058 500 HD11 LEU 62 HD11 LEU 62 22.531 2.796 13.370 501 HD12 LEU 62 HD12 LEU 62 21.580 4.182 12.837 502 HD13 LEU 62 HD13 LEU 62 23.023 3.707 11.941 503 HD21 LEU 62 HD21 LEU 62 20.126 2.062 13.362 504 HD22 LEU 62 HD22 LEU 62 21.051 0.665 12.811 505 HD23 LEU 62 HD23 LEU 62 19.619 1.183 11.920 506 H SER 63 H SER 63 23.364 3.745 8.192 507 HA SER 63 HA SER 63 24.343 5.996 9.826 508 HB2 SER 63 HB2 SER 63 25.674 3.469 8.951 509 HB3 SER 63 HB3 SER 63 26.657 4.927 9.086 510 HG SER 63 HG SER 63 26.512 3.623 11.033 511 H ARG 64 H ARG 64 22.921 5.931 7.198 512 HA ARG 64 HA ARG 64 24.408 7.947 5.901 513 HB2 ARG 64 HB2 ARG 64 24.921 6.750 3.793 514 HB3 ARG 64 HB3 ARG 64 25.846 6.148 5.162 515 HG2 ARG 64 HG2 ARG 64 23.763 4.466 5.265 516 HG3 ARG 64 HG3 ARG 64 23.779 4.818 3.535 517 HD2 ARG 64 HD2 ARG 64 26.329 4.126 4.925 518 HD3 ARG 64 HD3 ARG 64 25.195 2.843 4.502 519 HE ARG 64 HE ARG 64 25.604 4.445 2.244 520 HH11 ARG 64 HH11 ARG 64 27.346 2.211 4.268 521 HH12 ARG 64 HH12 ARG 64 28.405 1.686 3.001 522 HH21 ARG 64 HH21 ARG 64 26.993 3.763 0.568 523 HH22 ARG 64 HH22 ARG 64 28.204 2.570 0.897 524 H ALA 65 H ALA 65 22.836 9.210 5.186 525 HA ALA 65 HA ALA 65 20.569 7.992 3.767 526 HB1 ALA 65 HB1 ALA 65 19.178 8.537 5.408 527 HB2 ALA 65 HB2 ALA 65 20.464 9.359 6.292 528 HB3 ALA 65 HB3 ALA 65 19.528 10.234 5.079 529 H ARG 66 H ARG 66 19.215 9.853 2.721 530 HA ARG 66 HA ARG 66 21.133 11.551 1.290 531 HB2 ARG 66 HB2 ARG 66 19.397 11.731 -0.442 532 HB3 ARG 66 HB3 ARG 66 19.814 10.055 -0.109 533 HG2 ARG 66 HG2 ARG 66 17.808 9.767 1.194 534 HG3 ARG 66 HG3 ARG 66 17.411 11.478 1.015 535 HD2 ARG 66 HD2 ARG 66 16.389 11.074 -0.914 536 HD3 ARG 66 HD3 ARG 66 17.853 10.338 -1.567 537 HE ARG 66 HE ARG 66 15.541 8.977 -0.519 538 HH11 ARG 66 HH11 ARG 66 18.935 8.742 -1.255 539 HH12 ARG 66 HH12 ARG 66 18.921 7.015 -1.387 540 HH21 ARG 66 HH21 ARG 66 15.509 6.703 -0.690 541 HH22 ARG 66 HH22 ARG 66 16.971 5.856 -1.066 542 H ILE 67 H ILE 67 21.051 13.718 1.385 543 HA ILE 67 HA ILE 67 19.371 14.959 3.347 544 HB ILE 67 HB ILE 67 21.269 16.212 1.359 545 HG12 ILE 67 HG12 ILE 67 21.646 15.566 4.291 546 HG13 ILE 67 HG13 ILE 67 22.337 14.648 2.957 547 HG21 ILE 67 HG21 ILE 67 19.596 17.799 2.141 548 HG22 ILE 67 HG22 ILE 67 19.966 17.381 3.813 549 HG23 ILE 67 HG23 ILE 67 21.182 18.178 2.815 550 HD11 ILE 67 HD11 ILE 67 23.951 16.170 3.987 551 HD12 ILE 67 HD12 ILE 67 23.657 16.562 2.292 552 HD13 ILE 67 HD13 ILE 67 22.920 17.536 3.564 553 H VAL 68 H VAL 68 17.602 16.219 3.074 554 HA VAL 68 HA VAL 68 16.672 16.675 0.314 555 HB VAL 68 HB VAL 68 14.762 16.211 2.585 556 HG11 VAL 68 HG11 VAL 68 13.359 15.425 0.604 557 HG12 VAL 68 HG12 VAL 68 13.696 17.154 0.718 558 HG13 VAL 68 HG13 VAL 68 14.604 16.150 -0.414 559 HG21 VAL 68 HG21 VAL 68 16.159 14.238 2.540 560 HG22 VAL 68 HG22 VAL 68 14.582 13.859 1.848 561 HG23 VAL 68 HG23 VAL 68 15.971 14.108 0.792 562 H PHE 69 H PHE 69 15.094 18.454 0.119 563 HA PHE 69 HA PHE 69 16.045 20.852 1.075 564 HB2 PHE 69 HB2 PHE 69 13.157 20.317 0.359 565 HB3 PHE 69 HB3 PHE 69 13.999 21.861 0.282 566 HD1 PHE 69 HD1 PHE 69 16.470 21.272 -1.055 567 HD2 PHE 69 HD2 PHE 69 12.583 19.696 -1.776 568 HE1 PHE 69 HE1 PHE 69 17.092 20.817 -3.392 569 HE2 PHE 69 HE2 PHE 69 13.199 19.237 -4.114 570 HZ PHE 69 HZ PHE 69 15.456 19.797 -4.924 571 H ARG 70 H ARG 70 14.843 22.452 2.460 572 HA ARG 70 HA ARG 70 14.800 21.703 5.093 573 HB2 ARG 70 HB2 ARG 70 14.833 24.003 4.727 574 HB3 ARG 70 HB3 ARG 70 13.471 23.945 3.616 575 HG2 ARG 70 HG2 ARG 70 11.914 23.892 5.308 576 HG3 ARG 70 HG3 ARG 70 13.057 23.232 6.480 577 HD2 ARG 70 HD2 ARG 70 12.642 25.504 7.075 578 HD3 ARG 70 HD3 ARG 70 14.270 25.416 6.404 579 HE ARG 70 HE ARG 70 12.253 26.102 4.473 580 HH11 ARG 70 HH11 ARG 70 14.439 27.322 6.892 581 HH12 ARG 70 HH12 ARG 70 14.510 28.914 6.212 582 HH21 ARG 70 HH21 ARG 70 12.338 28.194 3.568 583 HH22 ARG 70 HH22 ARG 70 13.314 29.409 4.322 584 H ALA 71 H ALA 71 13.244 21.097 6.588 585 HA ALA 71 HA ALA 71 11.441 19.182 6.041 586 HB1 ALA 71 HB1 ALA 71 11.786 21.079 8.226 587 HB2 ALA 71 HB2 ALA 71 10.129 20.497 8.062 588 HB3 ALA 71 HB3 ALA 71 11.450 19.348 8.268 589 H LYS 72 H LYS 72 9.395 18.964 5.289 590 HA LYS 72 HA LYS 72 8.278 21.157 3.806 591 HB2 LYS 72 HB2 LYS 72 8.264 18.571 3.299 592 HB3 LYS 72 HB3 LYS 72 6.795 18.601 4.267 593 HG2 LYS 72 HG2 LYS 72 7.019 20.614 2.112 594 HG3 LYS 72 HG3 LYS 72 6.798 18.932 1.626 595 HD2 LYS 72 HD2 LYS 72 4.715 18.784 2.603 596 HD3 LYS 72 HD3 LYS 72 5.050 20.075 3.759 597 HE2 LYS 72 HE2 LYS 72 5.147 21.583 1.646 598 HE3 LYS 72 HE3 LYS 72 4.266 20.264 0.876 599 HZ1 LYS 72 HZ1 LYS 72 3.384 22.146 2.916 600 HZ2 LYS 72 HZ2 LYS 72 2.821 20.558 3.067 601 HZ3 LYS 72 HZ3 LYS 72 2.515 21.432 1.652 Start of MODEL 10 1 H1 MET 1 H MET 1 10.846 0.460 -12.369 2 HA MET 1 HA MET 1 8.553 -1.379 -12.163 3 HB2 MET 1 HB2 MET 1 10.005 -1.239 -14.378 4 HB3 MET 1 HB3 MET 1 11.086 -2.276 -13.458 5 HG2 MET 1 HG2 MET 1 9.389 -3.938 -13.208 6 HG3 MET 1 HG3 MET 1 8.174 -2.871 -13.910 7 HE1 MET 1 HE1 MET 1 8.993 -2.739 -17.614 8 HE2 MET 1 HE2 MET 1 8.254 -1.950 -16.220 9 HE3 MET 1 HE3 MET 1 9.958 -1.680 -16.586 10 H ALA 2 H ALA 2 9.487 -0.578 -9.839 11 HA ALA 2 HA ALA 2 10.528 -2.951 -8.661 12 HB1 ALA 2 HB1 ALA 2 12.512 -1.416 -9.673 13 HB2 ALA 2 HB2 ALA 2 12.387 -0.760 -8.040 14 HB3 ALA 2 HB3 ALA 2 12.694 -2.481 -8.279 15 H LYS 3 H LYS 3 10.746 -2.751 -6.296 16 HA LYS 3 HA LYS 3 9.397 -0.411 -5.159 17 HB2 LYS 3 HB2 LYS 3 8.632 -3.220 -4.374 18 HB3 LYS 3 HB3 LYS 3 7.839 -1.718 -3.917 19 HG2 LYS 3 HG2 LYS 3 7.955 -2.797 -6.725 20 HG3 LYS 3 HG3 LYS 3 6.603 -3.025 -5.614 21 HD2 LYS 3 HD2 LYS 3 7.565 -0.253 -6.084 22 HD3 LYS 3 HD3 LYS 3 6.658 -1.042 -7.377 23 HE2 LYS 3 HE2 LYS 3 4.729 -1.160 -6.134 24 HE3 LYS 3 HE3 LYS 3 5.592 -1.154 -4.597 25 HZ1 LYS 3 HZ1 LYS 3 5.442 1.045 -4.472 26 HZ2 LYS 3 HZ2 LYS 3 4.345 0.980 -5.757 27 HZ3 LYS 3 HZ3 LYS 3 5.984 1.267 -6.058 28 H ASP 4 H ASP 4 9.641 -0.255 -2.809 29 HA ASP 4 HA ASP 4 11.657 -1.913 -1.558 30 HB2 ASP 4 HB2 ASP 4 12.151 1.056 -1.856 31 HB3 ASP 4 HB3 ASP 4 13.198 -0.115 -1.057 32 H ASP 5 H ASP 5 12.227 -0.655 0.682 33 HA ASP 5 HA ASP 5 9.667 0.257 1.813 34 HB2 ASP 5 HB2 ASP 5 10.328 -1.002 3.913 35 HB3 ASP 5 HB3 ASP 5 9.846 -1.998 2.543 36 H VAL 6 H VAL 6 11.066 2.262 1.168 37 HA VAL 6 HA VAL 6 13.062 2.942 3.174 38 HB VAL 6 HB VAL 6 13.389 5.001 1.901 39 HG11 VAL 6 HG11 VAL 6 14.559 4.033 0.187 40 HG12 VAL 6 HG12 VAL 6 14.270 2.619 1.202 41 HG13 VAL 6 HG13 VAL 6 13.260 2.911 -0.214 42 HG21 VAL 6 HG21 VAL 6 11.954 4.628 -0.449 43 HG22 VAL 6 HG22 VAL 6 10.791 4.302 0.836 44 HG23 VAL 6 HG23 VAL 6 11.649 5.843 0.793 45 H ILE 7 H ILE 7 12.903 4.727 4.571 46 HA ILE 7 HA ILE 7 10.207 5.850 4.919 47 HB ILE 7 HB ILE 7 10.428 5.694 7.351 48 HG12 ILE 7 HG12 ILE 7 12.391 3.764 7.763 49 HG13 ILE 7 HG13 ILE 7 13.137 4.897 6.642 50 HG21 ILE 7 HG21 ILE 7 9.565 3.785 5.740 51 HG22 ILE 7 HG22 ILE 7 10.916 2.905 6.453 52 HG23 ILE 7 HG23 ILE 7 9.643 3.555 7.487 53 HD11 ILE 7 HD11 ILE 7 11.863 6.432 8.626 54 HD12 ILE 7 HD12 ILE 7 12.746 5.144 9.447 55 HD13 ILE 7 HD13 ILE 7 13.591 6.227 8.341 56 H GLN 8 H GLN 8 10.136 7.990 5.310 57 HA GLN 8 HA GLN 8 12.681 9.423 5.369 58 HB2 GLN 8 HB2 GLN 8 11.463 11.356 4.671 59 HB3 GLN 8 HB3 GLN 8 10.898 10.004 3.698 60 HG2 GLN 8 HG2 GLN 8 8.945 9.791 5.193 61 HG3 GLN 8 HG3 GLN 8 9.496 11.220 6.066 62 HE21 GLN 8 HE21 GLN 8 8.160 10.012 3.090 63 HE22 GLN 8 HE22 GLN 8 7.650 11.540 2.464 64 H MET 9 H MET 9 13.404 10.534 7.083 65 HA MET 9 HA MET 9 11.660 10.650 9.452 66 HB2 MET 9 HB2 MET 9 14.664 10.494 9.208 67 HB3 MET 9 HB3 MET 9 13.841 10.852 10.720 68 HG2 MET 9 HG2 MET 9 13.413 8.354 9.099 69 HG3 MET 9 HG3 MET 9 14.514 8.485 10.469 70 HE1 MET 9 HE1 MET 9 12.506 7.525 13.319 71 HE2 MET 9 HE2 MET 9 14.024 7.557 12.422 72 HE3 MET 9 HE3 MET 9 13.406 9.034 13.163 73 H GLN 10 H GLN 10 11.749 12.525 10.793 74 HA GLN 10 HA GLN 10 12.493 14.949 9.301 75 HB2 GLN 10 HB2 GLN 10 10.499 14.673 11.556 76 HB3 GLN 10 HB3 GLN 10 10.807 16.122 10.608 77 HG2 GLN 10 HG2 GLN 10 10.059 13.736 9.063 78 HG3 GLN 10 HG3 GLN 10 8.809 14.384 10.123 79 HE21 GLN 10 HE21 GLN 10 10.171 14.570 7.111 80 HE22 GLN 10 HE22 GLN 10 9.561 16.111 6.625 81 H GLY 11 H GLY 11 14.389 15.733 9.950 82 HA2 GLY 11 HA2 GLY 11 14.849 15.987 12.850 83 HA3 GLY 11 HA3 GLY 11 16.110 15.335 11.813 84 H GLU 12 H GLU 12 17.009 17.342 13.126 85 HA GLU 12 HA GLU 12 16.776 19.677 11.343 86 HB2 GLU 12 HB2 GLU 12 15.849 20.250 13.489 87 HB3 GLU 12 HB3 GLU 12 17.248 19.590 14.325 88 HG2 GLU 12 HG2 GLU 12 18.606 21.368 13.732 89 HG3 GLU 12 HG3 GLU 12 17.568 21.841 12.387 90 H VAL 13 H VAL 13 18.628 20.615 10.607 91 HA VAL 13 HA VAL 13 20.975 19.074 10.487 92 HB VAL 13 HB VAL 13 20.594 22.012 9.895 93 HG11 VAL 13 HG11 VAL 13 22.934 21.567 10.247 94 HG12 VAL 13 HG12 VAL 13 22.861 20.148 9.201 95 HG13 VAL 13 HG13 VAL 13 22.640 21.759 8.519 96 HG21 VAL 13 HG21 VAL 13 20.382 21.322 7.584 97 HG22 VAL 13 HG22 VAL 13 20.630 19.635 8.036 98 HG23 VAL 13 HG23 VAL 13 19.180 20.487 8.568 99 H ILE 14 H ILE 14 22.707 18.939 11.768 100 HA ILE 14 HA ILE 14 22.962 20.899 13.956 101 HB ILE 14 HB ILE 14 22.360 18.610 14.714 102 HG12 ILE 14 HG12 ILE 14 25.134 19.524 15.509 103 HG13 ILE 14 HG13 ILE 14 23.625 20.151 16.165 104 HG21 ILE 14 HG21 ILE 14 25.040 17.887 13.537 105 HG22 ILE 14 HG22 ILE 14 24.083 16.846 14.589 106 HG23 ILE 14 HG23 ILE 14 23.461 17.307 13.005 107 HD11 ILE 14 HD11 ILE 14 25.147 17.896 16.998 108 HD12 ILE 14 HD12 ILE 14 23.699 18.593 17.725 109 HD13 ILE 14 HD13 ILE 14 23.551 17.356 16.477 110 H GLU 15 H GLU 15 24.565 19.158 11.408 111 HA GLU 15 HA GLU 15 26.964 20.790 11.867 112 HB2 GLU 15 HB2 GLU 15 27.070 18.240 12.538 113 HB3 GLU 15 HB3 GLU 15 27.273 18.014 10.806 114 HG2 GLU 15 HG2 GLU 15 29.220 19.485 10.838 115 HG3 GLU 15 HG3 GLU 15 29.017 19.715 12.574 116 H ASN 16 H ASN 16 28.063 21.452 10.022 117 HA ASN 16 HA ASN 16 26.830 20.759 7.444 118 HB2 ASN 16 HB2 ASN 16 27.239 23.195 6.792 119 HB3 ASN 16 HB3 ASN 16 25.903 22.889 7.897 120 HD21 ASN 16 HD21 ASN 16 28.578 24.752 7.328 121 HD22 ASN 16 HD22 ASN 16 28.815 25.389 8.916 122 H LEU 17 H LEU 17 28.251 20.165 5.940 123 HA LEU 17 HA LEU 17 31.019 21.116 6.127 124 HB2 LEU 17 HB2 LEU 17 30.063 18.286 6.093 125 HB3 LEU 17 HB3 LEU 17 31.608 18.695 5.349 126 HG LEU 17 HG LEU 17 30.946 19.322 8.220 127 HD11 LEU 17 HD11 LEU 17 32.265 16.886 7.041 128 HD12 LEU 17 HD12 LEU 17 30.807 16.949 8.030 129 HD13 LEU 17 HD13 LEU 17 32.373 17.342 8.741 130 HD21 LEU 17 HD21 LEU 17 32.752 20.625 7.166 131 HD22 LEU 17 HD22 LEU 17 33.576 19.120 6.756 132 HD23 LEU 17 HD23 LEU 17 33.343 19.566 8.447 133 HA PRO 18 HA PRO 18 30.807 21.674 1.780 134 HB2 PRO 18 HB2 PRO 18 33.330 21.045 1.001 135 HB3 PRO 18 HB3 PRO 18 32.939 22.524 1.887 136 HG2 PRO 18 HG2 PRO 18 34.058 19.943 2.910 137 HG3 PRO 18 HG3 PRO 18 34.527 21.604 3.315 138 HD2 PRO 18 HD2 PRO 18 32.934 20.109 4.915 139 HD3 PRO 18 HD3 PRO 18 32.776 21.873 4.789 140 H ASN 19 H ASN 19 31.873 20.468 -0.323 141 HA ASN 19 HA ASN 19 31.718 18.691 -1.734 142 HB2 ASN 19 HB2 ASN 19 33.113 17.717 0.316 143 HB3 ASN 19 HB3 ASN 19 31.674 16.719 0.501 144 HD21 ASN 19 HD21 ASN 19 33.772 17.884 -2.117 145 HD22 ASN 19 HD22 ASN 19 33.886 16.363 -2.929 146 H ALA 20 H ALA 20 29.336 19.918 -0.601 147 HA ALA 20 HA ALA 20 27.077 19.626 -0.477 148 HB1 ALA 20 HB1 ALA 20 26.114 18.452 -2.243 149 HB2 ALA 20 HB2 ALA 20 27.710 18.889 -2.856 150 HB3 ALA 20 HB3 ALA 20 27.406 17.252 -2.275 151 H THR 21 H THR 21 27.896 18.770 1.788 152 HA THR 21 HA THR 21 26.408 16.296 2.263 153 HB THR 21 HB THR 21 29.012 16.687 3.699 154 HG1 THR 21 HG1 THR 21 28.789 15.114 1.350 155 HG21 THR 21 HG21 THR 21 27.392 14.240 2.977 156 HG22 THR 21 HG22 THR 21 27.416 15.034 4.552 157 HG23 THR 21 HG23 THR 21 28.872 14.254 3.935 158 H PHE 22 H PHE 22 25.534 16.105 4.349 159 HA PHE 22 HA PHE 22 25.999 18.187 6.301 160 HB2 PHE 22 HB2 PHE 22 23.400 17.953 4.795 161 HB3 PHE 22 HB3 PHE 22 23.481 18.676 6.398 162 HD1 PHE 22 HD2 PHE 22 24.735 20.761 6.754 163 HD2 PHE 22 HD1 PHE 22 24.192 19.105 2.871 164 HE1 PHE 22 HE2 PHE 22 25.364 22.917 5.750 165 HE2 PHE 22 HE1 PHE 22 24.821 21.258 1.861 166 HZ PHE 22 HZ PHE 22 25.407 23.169 3.300 167 H ARG 23 H ARG 23 25.047 17.732 8.356 168 HA ARG 23 HA ARG 23 24.138 14.942 8.639 169 HB2 ARG 23 HB2 ARG 23 26.506 15.791 9.542 170 HB3 ARG 23 HB3 ARG 23 25.514 16.284 10.908 171 HG2 ARG 23 HG2 ARG 23 24.661 13.945 11.040 172 HG3 ARG 23 HG3 ARG 23 25.840 13.507 9.801 173 HD2 ARG 23 HD2 ARG 23 27.510 14.693 11.460 174 HD3 ARG 23 HD3 ARG 23 26.263 14.297 12.641 175 HE ARG 23 HE ARG 23 26.832 12.080 12.460 176 HH11 ARG 23 HH11 ARG 23 28.316 13.879 9.876 177 HH12 ARG 23 HH12 ARG 23 29.313 12.561 9.355 178 HH21 ARG 23 HH21 ARG 23 28.140 10.337 11.785 179 HH22 ARG 23 HH22 ARG 23 29.212 10.547 10.442 180 H VAL 24 H VAL 24 22.086 14.863 9.246 181 HA VAL 24 HA VAL 24 20.982 17.066 10.846 182 HB VAL 24 HB VAL 24 19.872 16.472 8.673 183 HG11 VAL 24 HG11 VAL 24 19.119 13.970 10.181 184 HG12 VAL 24 HG12 VAL 24 18.446 14.472 8.629 185 HG13 VAL 24 HG13 VAL 24 20.157 14.060 8.759 186 HG21 VAL 24 HG21 VAL 24 18.477 17.704 10.011 187 HG22 VAL 24 HG22 VAL 24 17.533 16.223 9.852 188 HG23 VAL 24 HG23 VAL 24 18.484 16.510 11.309 189 H LYS 25 H LYS 25 20.058 16.733 12.812 190 HA LYS 25 HA LYS 25 20.470 14.086 14.005 191 HB2 LYS 25 HB2 LYS 25 20.522 15.149 16.121 192 HB3 LYS 25 HB3 LYS 25 21.464 16.175 15.046 193 HG2 LYS 25 HG2 LYS 25 19.586 17.698 14.819 194 HG3 LYS 25 HG3 LYS 25 18.600 16.655 15.847 195 HD2 LYS 25 HD2 LYS 25 21.212 17.788 16.802 196 HD3 LYS 25 HD3 LYS 25 19.709 18.707 16.920 197 HE2 LYS 25 HE2 LYS 25 19.694 17.677 18.958 198 HE3 LYS 25 HE3 LYS 25 18.836 16.466 18.008 199 HZ1 LYS 25 HZ1 LYS 25 21.030 16.005 19.523 200 HZ2 LYS 25 HZ2 LYS 25 21.689 16.133 17.971 201 HZ3 LYS 25 HZ3 LYS 25 20.473 14.999 18.282 202 H LEU 26 H LEU 26 18.828 12.862 14.748 203 HA LEU 26 HA LEU 26 16.142 13.611 14.025 204 HB2 LEU 26 HB2 LEU 26 16.865 11.180 15.616 205 HB3 LEU 26 HB3 LEU 26 15.541 11.404 14.475 206 HG LEU 26 HG LEU 26 17.781 11.709 12.898 207 HD11 LEU 26 HD11 LEU 26 19.494 10.454 13.587 208 HD12 LEU 26 HD12 LEU 26 18.439 9.175 14.188 209 HD13 LEU 26 HD13 LEU 26 18.771 10.588 15.190 210 HD21 LEU 26 HD21 LEU 26 16.328 9.117 13.391 211 HD22 LEU 26 HD22 LEU 26 17.107 9.653 11.903 212 HD23 LEU 26 HD23 LEU 26 15.647 10.462 12.475 213 H GLU 27 H GLU 27 14.972 12.039 16.254 214 HA GLU 27 HA GLU 27 14.813 14.237 18.165 215 HB2 GLU 27 HB2 GLU 27 13.116 11.805 17.651 216 HB3 GLU 27 HB3 GLU 27 12.913 12.780 19.100 217 HG2 GLU 27 HG2 GLU 27 12.703 13.827 16.287 218 HG3 GLU 27 HG3 GLU 27 11.336 13.355 17.295 219 H ASN 28 H ASN 28 15.652 10.817 18.017 220 HA ASN 28 HA ASN 28 16.020 10.437 20.794 221 HB2 ASN 28 HB2 ASN 28 17.411 8.452 20.046 222 HB3 ASN 28 HB3 ASN 28 15.756 8.494 19.444 223 HD21 ASN 28 HD21 ASN 28 16.609 6.998 17.846 224 HD22 ASN 28 HD22 ASN 28 17.384 7.631 16.437 225 H GLY 29 H GLY 29 17.814 12.174 18.513 226 HA2 GLY 29 HA2 GLY 29 19.565 13.626 19.380 227 HA3 GLY 29 HA3 GLY 29 20.092 12.286 20.387 228 H HIS 30 H HIS 30 19.680 10.416 18.068 229 HA HIS 30 HA HIS 30 22.309 10.310 17.153 230 HB2 HIS 30 HB2 HIS 30 19.740 9.061 16.273 231 HB3 HIS 30 HB3 HIS 30 21.153 8.907 15.234 232 HD1 HIS 30 HD1 HIS 30 21.132 6.332 15.709 233 HD2 HIS 30 HD2 HIS 30 21.819 8.716 19.042 234 HE1 HIS 30 HE1 HIS 30 22.007 4.775 17.480 235 H VAL 31 H VAL 31 23.098 10.548 14.929 236 HA VAL 31 HA VAL 31 21.703 12.626 13.390 237 HB VAL 31 HB VAL 31 23.945 13.677 12.921 238 HG11 VAL 31 HG11 VAL 31 23.944 14.373 15.615 239 HG12 VAL 31 HG12 VAL 31 23.044 15.158 14.316 240 HG13 VAL 31 HG13 VAL 31 22.284 13.886 15.274 241 HG21 VAL 31 HG21 VAL 31 24.796 12.063 15.324 242 HG22 VAL 31 HG22 VAL 31 25.322 11.777 13.665 243 HG23 VAL 31 HG23 VAL 31 25.761 13.276 14.482 244 H VAL 32 H VAL 32 21.663 12.267 11.254 245 HA VAL 32 HA VAL 32 23.276 10.033 10.219 246 HB VAL 32 HB VAL 32 21.615 9.755 8.482 247 HG11 VAL 32 HG11 VAL 32 19.558 9.752 10.362 248 HG12 VAL 32 HG12 VAL 32 20.654 8.421 9.982 249 HG13 VAL 32 HG13 VAL 32 21.034 9.530 11.300 250 HG21 VAL 32 HG21 VAL 32 19.586 11.105 8.399 251 HG22 VAL 32 HG22 VAL 32 20.175 12.091 9.738 252 HG23 VAL 32 HG23 VAL 32 21.019 12.113 8.189 253 H LEU 33 H LEU 33 24.535 10.275 8.426 254 HA LEU 33 HA LEU 33 24.896 13.029 7.470 255 HB2 LEU 33 HB2 LEU 33 26.828 11.843 8.511 256 HB3 LEU 33 HB3 LEU 33 26.770 10.688 7.182 257 HG LEU 33 HG LEU 33 27.144 12.685 5.643 258 HD11 LEU 33 HD11 LEU 33 27.126 13.998 8.227 259 HD12 LEU 33 HD12 LEU 33 27.030 14.686 6.607 260 HD13 LEU 33 HD13 LEU 33 28.602 14.326 7.319 261 HD21 LEU 33 HD21 LEU 33 29.183 11.611 7.562 262 HD22 LEU 33 HD22 LEU 33 29.625 12.758 6.297 263 HD23 LEU 33 HD23 LEU 33 28.926 11.197 5.867 264 H GLY 34 H GLY 34 24.629 13.558 5.367 265 HA2 GLY 34 HA2 GLY 34 24.573 11.542 3.298 266 HA3 GLY 34 HA3 GLY 34 22.999 12.237 3.657 267 H HIS 35 H HIS 35 23.395 12.740 1.257 268 HA HIS 35 HA HIS 35 24.627 15.410 1.086 269 HB2 HIS 35 HB2 HIS 35 25.058 14.833 -1.355 270 HB3 HIS 35 HB3 HIS 35 26.067 14.006 -0.171 271 HD1 HIS 35 HD1 HIS 35 23.245 13.400 -2.574 272 HD2 HIS 35 HD2 HIS 35 25.781 11.247 -0.084 273 HE1 HIS 35 HE1 HIS 35 22.904 10.986 -3.191 274 H ILE 36 H ILE 36 23.561 16.953 -0.154 275 HA ILE 36 HA ILE 36 20.742 16.339 -0.675 276 HB ILE 36 HB ILE 36 21.254 18.244 0.825 277 HG12 ILE 36 HG12 ILE 36 19.289 18.063 -0.971 278 HG13 ILE 36 HG13 ILE 36 19.473 19.470 0.070 279 HG21 ILE 36 HG21 ILE 36 23.299 19.058 -0.079 280 HG22 ILE 36 HG22 ILE 36 22.555 19.362 -1.648 281 HG23 ILE 36 HG23 ILE 36 22.104 20.343 -0.254 282 HD11 ILE 36 HD11 ILE 36 20.792 19.412 -2.604 283 HD12 ILE 36 HD12 ILE 36 19.075 19.791 -2.462 284 HD13 ILE 36 HD13 ILE 36 20.271 20.792 -1.638 285 H SER 37 H SER 37 19.761 16.762 -2.633 286 HA SER 37 HA SER 37 21.480 17.641 -4.845 287 HB2 SER 37 HB2 SER 37 21.451 15.192 -4.908 288 HB3 SER 37 HB3 SER 37 19.687 15.201 -4.897 289 HG SER 37 HG SER 37 21.363 15.451 -6.979 290 H GLY 38 H GLY 38 20.348 18.500 -6.666 291 HA2 GLY 38 HA2 GLY 38 17.741 18.717 -7.246 292 HA3 GLY 38 HA3 GLY 38 17.882 19.821 -5.886 293 H LYS 39 H LYS 39 17.028 21.098 -7.919 294 HA LYS 39 HA LYS 39 19.217 22.067 -9.581 295 HB2 LYS 39 HB2 LYS 39 16.337 22.971 -9.620 296 HB3 LYS 39 HB3 LYS 39 17.546 23.187 -10.879 297 HG2 LYS 39 HG2 LYS 39 17.543 20.851 -11.380 298 HG3 LYS 39 HG3 LYS 39 16.515 20.505 -9.987 299 HD2 LYS 39 HD2 LYS 39 15.627 22.344 -12.190 300 HD3 LYS 39 HD3 LYS 39 15.405 20.596 -12.294 301 HE2 LYS 39 HE2 LYS 39 14.325 20.853 -9.948 302 HE3 LYS 39 HE3 LYS 39 14.178 22.553 -10.390 303 HZ1 LYS 39 HZ1 LYS 39 12.464 22.100 -11.702 304 HZ2 LYS 39 HZ2 LYS 39 12.441 20.540 -11.050 305 HZ3 LYS 39 HZ3 LYS 39 13.282 20.843 -12.485 306 H MET 40 H MET 40 17.513 22.928 -6.738 307 HA MET 40 HA MET 40 18.127 25.750 -6.902 308 HB2 MET 40 HB2 MET 40 16.757 23.985 -4.910 309 HB3 MET 40 HB3 MET 40 17.319 25.574 -4.410 310 HG2 MET 40 HG2 MET 40 15.245 26.166 -5.054 311 HG3 MET 40 HG3 MET 40 16.026 26.276 -6.630 312 HE1 MET 40 HE1 MET 40 14.162 24.119 -4.159 313 HE2 MET 40 HE2 MET 40 13.265 22.948 -5.126 314 HE3 MET 40 HE3 MET 40 14.989 22.714 -4.832 315 H ARG 41 H ARG 41 19.653 22.895 -5.793 316 HA ARG 41 HA ARG 41 21.345 24.171 -3.844 317 HB2 ARG 41 HB2 ARG 41 22.435 22.024 -3.648 318 HB3 ARG 41 HB3 ARG 41 20.694 21.781 -3.688 319 HG2 ARG 41 HG2 ARG 41 20.824 20.501 -5.497 320 HG3 ARG 41 HG3 ARG 41 21.853 21.664 -6.336 321 HD2 ARG 41 HD2 ARG 41 23.213 20.245 -4.177 322 HD3 ARG 41 HD3 ARG 41 22.623 19.181 -5.454 323 HE ARG 41 HE ARG 41 23.912 21.307 -6.690 324 HH11 ARG 41 HH11 ARG 41 24.708 18.686 -4.541 325 HH12 ARG 41 HH12 ARG 41 26.342 18.550 -5.102 326 HH21 ARG 41 HH21 ARG 41 26.060 21.138 -7.436 327 HH22 ARG 41 HH22 ARG 41 27.110 19.946 -6.748 328 H MET 42 H MET 42 21.304 23.988 -7.208 329 HA MET 42 HA MET 42 24.154 24.020 -7.622 330 HB2 MET 42 HB2 MET 42 22.212 23.253 -9.232 331 HB3 MET 42 HB3 MET 42 22.213 24.949 -9.698 332 HG2 MET 42 HG2 MET 42 24.839 23.610 -9.635 333 HG3 MET 42 HG3 MET 42 23.716 23.081 -10.885 334 HE1 MET 42 HE1 MET 42 25.469 23.596 -12.438 335 HE2 MET 42 HE2 MET 42 24.241 24.416 -13.402 336 HE3 MET 42 HE3 MET 42 25.806 25.183 -13.130 337 H HIS 43 H HIS 43 21.847 26.293 -6.681 338 HA HIS 43 HA HIS 43 23.294 28.568 -7.798 339 HB2 HIS 43 HB2 HIS 43 20.679 28.269 -7.568 340 HB3 HIS 43 HB3 HIS 43 20.972 28.880 -5.942 341 HD1 HIS 43 HD1 HIS 43 21.129 31.354 -5.699 342 HD2 HIS 43 HD2 HIS 43 21.577 30.130 -9.644 343 HE1 HIS 43 HE1 HIS 43 21.190 33.470 -7.057 344 H TYR 44 H TYR 44 24.200 26.691 -5.546 345 HA TYR 44 HA TYR 44 25.296 26.817 -3.552 346 HB2 TYR 44 HB2 TYR 44 26.523 28.494 -5.142 347 HB3 TYR 44 HB3 TYR 44 25.828 29.719 -4.087 348 HD1 TYR 44 HD1 TYR 44 27.365 26.371 -3.438 349 HD2 TYR 44 HD2 TYR 44 27.451 30.557 -2.680 350 HE1 TYR 44 HE1 TYR 44 29.211 26.039 -1.846 351 HE2 TYR 44 HE2 TYR 44 29.298 30.236 -1.087 352 HH TYR 44 HH TYR 44 30.077 28.074 0.415 353 H ILE 45 H ILE 45 22.714 26.926 -3.040 354 HA ILE 45 HA ILE 45 21.660 29.200 -1.813 355 HB ILE 45 HB ILE 45 20.215 27.571 -0.527 356 HG12 ILE 45 HG12 ILE 45 21.315 25.417 -2.284 357 HG13 ILE 45 HG13 ILE 45 22.153 25.790 -0.781 358 HG21 ILE 45 HG21 ILE 45 20.449 27.733 -3.483 359 HG22 ILE 45 HG22 ILE 45 19.310 26.571 -2.803 360 HG23 ILE 45 HG23 ILE 45 19.157 28.285 -2.417 361 HD11 ILE 45 HD11 ILE 45 19.252 25.442 -0.531 362 HD12 ILE 45 HD12 ILE 45 20.150 24.002 -1.010 363 HD13 ILE 45 HD13 ILE 45 20.565 24.845 0.483 364 H ARG 46 H ARG 46 21.302 29.623 0.464 365 HA ARG 46 HA ARG 46 23.723 29.175 2.003 366 HB2 ARG 46 HB2 ARG 46 21.276 30.818 2.679 367 HB3 ARG 46 HB3 ARG 46 22.804 30.830 3.549 368 HG2 ARG 46 HG2 ARG 46 22.521 31.622 0.661 369 HG3 ARG 46 HG3 ARG 46 22.452 32.759 2.009 370 HD2 ARG 46 HD2 ARG 46 24.770 30.889 1.674 371 HD3 ARG 46 HD3 ARG 46 24.699 32.415 0.794 372 HE ARG 46 HE ARG 46 24.224 32.882 3.529 373 HH11 ARG 46 HH11 ARG 46 26.785 31.998 1.343 374 HH12 ARG 46 HH12 ARG 46 28.037 32.682 2.326 375 HH21 ARG 46 HH21 ARG 46 25.864 33.787 4.832 376 HH22 ARG 46 HH22 ARG 46 27.512 33.699 4.310 377 H ILE 47 H ILE 47 23.930 27.669 3.516 378 HA ILE 47 HA ILE 47 21.499 26.588 4.778 379 HB ILE 47 HB ILE 47 23.910 24.973 3.940 380 HG12 ILE 47 HG12 ILE 47 21.083 24.971 2.860 381 HG13 ILE 47 HG13 ILE 47 22.486 25.647 2.040 382 HG21 ILE 47 HG21 ILE 47 21.342 24.175 5.300 383 HG22 ILE 47 HG22 ILE 47 22.520 23.041 4.641 384 HG23 ILE 47 HG23 ILE 47 22.970 24.104 5.974 385 HD11 ILE 47 HD11 ILE 47 22.039 23.526 1.084 386 HD12 ILE 47 HD12 ILE 47 23.491 23.360 2.071 387 HD13 ILE 47 HD13 ILE 47 21.944 22.761 2.669 388 H LEU 48 H LEU 48 21.652 26.025 6.937 389 HA LEU 48 HA LEU 48 24.184 26.184 8.322 390 HB2 LEU 48 HB2 LEU 48 22.132 28.322 8.453 391 HB3 LEU 48 HB3 LEU 48 22.916 27.855 9.961 392 HG LEU 48 HG LEU 48 25.081 28.217 8.392 393 HD11 LEU 48 HD11 LEU 48 23.825 30.655 7.536 394 HD12 LEU 48 HD12 LEU 48 22.996 29.260 6.847 395 HD13 LEU 48 HD13 LEU 48 24.729 29.468 6.595 396 HD21 LEU 48 HD21 LEU 48 23.552 29.966 10.246 397 HD22 LEU 48 HD22 LEU 48 24.900 30.674 9.354 398 HD23 LEU 48 HD23 LEU 48 25.171 29.284 10.407 399 HA PRO 49 HA PRO 49 22.276 23.366 11.090 400 HB2 PRO 49 HB2 PRO 49 23.383 24.041 13.474 401 HB3 PRO 49 HB3 PRO 49 24.287 23.229 12.191 402 HG2 PRO 49 HG2 PRO 49 24.233 26.131 12.924 403 HG3 PRO 49 HG3 PRO 49 25.619 25.111 12.496 404 HD2 PRO 49 HD2 PRO 49 24.463 26.813 10.735 405 HD3 PRO 49 HD3 PRO 49 25.204 25.280 10.235 406 H GLY 50 H GLY 50 20.394 23.192 12.174 407 HA2 GLY 50 HA2 GLY 50 18.974 23.957 14.012 408 HA3 GLY 50 HA3 GLY 50 19.366 25.603 13.536 409 H ASP 51 H ASP 51 18.913 23.623 10.854 410 HA ASP 51 HA ASP 51 16.200 24.702 10.494 411 HB2 ASP 51 HB2 ASP 51 17.944 25.401 8.847 412 HB3 ASP 51 HB3 ASP 51 18.112 23.714 8.369 413 H LYS 52 H LYS 52 14.503 23.384 10.121 414 HA LYS 52 HA LYS 52 14.847 20.571 10.622 415 HB2 LYS 52 HB2 LYS 52 12.371 22.166 9.933 416 HB3 LYS 52 HB3 LYS 52 12.381 20.483 10.446 417 HG2 LYS 52 HG2 LYS 52 13.337 21.146 12.597 418 HG3 LYS 52 HG3 LYS 52 13.311 22.834 12.082 419 HD2 LYS 52 HD2 LYS 52 10.770 22.327 11.648 420 HD3 LYS 52 HD3 LYS 52 11.050 21.030 12.812 421 HE2 LYS 52 HE2 LYS 52 10.446 22.703 14.242 422 HE3 LYS 52 HE3 LYS 52 12.185 22.985 14.179 423 HZ1 LYS 52 HZ1 LYS 52 11.593 24.555 12.255 424 HZ2 LYS 52 HZ2 LYS 52 11.292 25.073 13.837 425 HZ3 LYS 52 HZ3 LYS 52 10.020 24.505 12.878 426 H VAL 53 H VAL 53 15.180 19.058 9.141 427 HA VAL 53 HA VAL 53 14.087 19.414 6.445 428 HB VAL 53 HB VAL 53 16.147 18.707 5.381 429 HG11 VAL 53 HG11 VAL 53 17.086 20.766 5.355 430 HG12 VAL 53 HG12 VAL 53 15.657 21.175 6.305 431 HG13 VAL 53 HG13 VAL 53 17.193 20.859 7.113 432 HG21 VAL 53 HG21 VAL 53 17.145 17.284 6.982 433 HG22 VAL 53 HG22 VAL 53 18.254 18.642 6.786 434 HG23 VAL 53 HG23 VAL 53 17.198 18.563 8.196 435 H THR 54 H THR 54 14.072 17.397 5.190 436 HA THR 54 HA THR 54 13.583 15.108 6.955 437 HB THR 54 HB THR 54 12.822 15.264 4.045 438 HG1 THR 54 HG1 THR 54 11.717 16.970 4.837 439 HG21 THR 54 HG21 THR 54 11.781 13.690 6.402 440 HG22 THR 54 HG22 THR 54 12.676 13.062 5.018 441 HG23 THR 54 HG23 THR 54 11.044 13.695 4.801 442 H VAL 55 H VAL 55 14.483 13.087 6.581 443 HA VAL 55 HA VAL 55 16.510 12.868 4.475 444 HB VAL 55 HB VAL 55 17.965 11.659 6.234 445 HG11 VAL 55 HG11 VAL 55 18.217 14.006 5.101 446 HG12 VAL 55 HG12 VAL 55 17.863 14.599 6.724 447 HG13 VAL 55 HG13 VAL 55 19.254 13.550 6.452 448 HG21 VAL 55 HG21 VAL 55 17.737 12.504 8.515 449 HG22 VAL 55 HG22 VAL 55 16.287 13.392 8.048 450 HG23 VAL 55 HG23 VAL 55 16.289 11.629 8.015 451 H GLU 56 H GLU 56 16.634 10.891 3.554 452 HA GLU 56 HA GLU 56 14.799 8.844 4.574 453 HB2 GLU 56 HB2 GLU 56 15.324 9.838 1.989 454 HB3 GLU 56 HB3 GLU 56 15.952 8.196 2.017 455 HG2 GLU 56 HG2 GLU 56 13.898 7.260 2.262 456 HG3 GLU 56 HG3 GLU 56 13.245 8.646 3.132 457 H LEU 57 H LEU 57 15.577 7.129 5.593 458 HA LEU 57 HA LEU 57 18.413 6.433 5.209 459 HB2 LEU 57 HB2 LEU 57 16.786 5.540 7.553 460 HB3 LEU 57 HB3 LEU 57 18.533 5.723 7.417 461 HG LEU 57 HG LEU 57 17.871 8.281 7.174 462 HD11 LEU 57 HD11 LEU 57 16.001 8.512 9.023 463 HD12 LEU 57 HD12 LEU 57 15.489 6.961 8.360 464 HD13 LEU 57 HD13 LEU 57 15.598 8.375 7.311 465 HD21 LEU 57 HD21 LEU 57 19.369 7.417 8.853 466 HD22 LEU 57 HD22 LEU 57 18.018 6.739 9.762 467 HD23 LEU 57 HD23 LEU 57 18.194 8.488 9.617 468 H THR 58 H THR 58 18.988 4.185 5.229 469 HA THR 58 HA THR 58 16.832 2.475 4.184 470 HB THR 58 HB THR 58 19.117 1.143 3.525 471 HG1 THR 58 HG1 THR 58 20.507 2.786 4.160 472 HG21 THR 58 HG21 THR 58 17.207 2.897 2.164 473 HG22 THR 58 HG22 THR 58 17.816 1.308 1.700 474 HG23 THR 58 HG23 THR 58 18.758 2.754 1.338 475 HA PRO 59 HA PRO 59 17.212 -0.389 7.487 476 HB2 PRO 59 HB2 PRO 59 16.918 -2.770 6.217 477 HB3 PRO 59 HB3 PRO 59 15.581 -1.639 6.459 478 HG2 PRO 59 HG2 PRO 59 17.272 -2.083 4.028 479 HG3 PRO 59 HG3 PRO 59 15.517 -1.855 4.144 480 HD2 PRO 59 HD2 PRO 59 17.201 0.139 3.423 481 HD3 PRO 59 HD3 PRO 59 15.700 0.435 4.324 482 H TYR 60 H TYR 60 19.072 -1.412 4.623 483 HA TYR 60 HA TYR 60 20.897 -3.019 6.083 484 HB2 TYR 60 HB2 TYR 60 20.356 -3.088 3.568 485 HB3 TYR 60 HB3 TYR 60 21.496 -1.756 3.415 486 HD1 TYR 60 HD1 TYR 60 21.489 -4.972 5.330 487 HD2 TYR 60 HD2 TYR 60 23.508 -2.463 2.551 488 HE1 TYR 60 HE1 TYR 60 23.347 -6.581 5.237 489 HE2 TYR 60 HE2 TYR 60 25.371 -4.065 2.448 490 HH TYR 60 HH TYR 60 25.273 -7.052 3.213 491 H ASP 61 H ASP 61 21.034 0.298 4.851 492 HA ASP 61 HA ASP 61 23.506 0.706 6.400 493 HB2 ASP 61 HB2 ASP 61 22.462 2.364 4.095 494 HB3 ASP 61 HB3 ASP 61 24.010 2.561 4.911 495 H LEU 62 H LEU 62 23.252 1.764 8.242 496 HA LEU 62 HA LEU 62 21.009 3.656 8.486 497 HB2 LEU 62 HB2 LEU 62 21.061 3.246 10.870 498 HB3 LEU 62 HB3 LEU 62 20.870 1.734 9.986 499 HG LEU 62 HG LEU 62 23.625 2.490 10.773 500 HD11 LEU 62 HD11 LEU 62 21.453 1.800 12.715 501 HD12 LEU 62 HD12 LEU 62 22.696 3.044 12.831 502 HD13 LEU 62 HD13 LEU 62 23.129 1.345 13.019 503 HD21 LEU 62 HD21 LEU 62 23.061 -0.123 11.482 504 HD22 LEU 62 HD22 LEU 62 23.845 0.414 9.996 505 HD23 LEU 62 HD23 LEU 62 22.103 0.138 10.024 506 H SER 63 H SER 63 24.380 3.375 8.378 507 HA SER 63 HA SER 63 24.833 5.860 9.850 508 HB2 SER 63 HB2 SER 63 27.298 5.231 9.110 509 HB3 SER 63 HB3 SER 63 26.522 4.416 10.468 510 HG SER 63 HG SER 63 27.348 2.836 9.163 511 H ARG 64 H ARG 64 23.454 5.701 7.215 512 HA ARG 64 HA ARG 64 24.639 7.974 6.019 513 HB2 ARG 64 HB2 ARG 64 25.200 6.893 3.818 514 HB3 ARG 64 HB3 ARG 64 26.297 6.504 5.136 515 HG2 ARG 64 HG2 ARG 64 24.154 4.586 4.992 516 HG3 ARG 64 HG3 ARG 64 24.989 4.724 3.443 517 HD2 ARG 64 HD2 ARG 64 27.108 4.661 5.079 518 HD3 ARG 64 HD3 ARG 64 25.967 3.737 6.055 519 HE ARG 64 HE ARG 64 25.794 2.627 3.568 520 HH11 ARG 64 HH11 ARG 64 28.377 3.227 5.823 521 HH12 ARG 64 HH12 ARG 64 29.316 1.864 5.312 522 HH21 ARG 64 HH21 ARG 64 27.021 0.829 2.886 523 HH22 ARG 64 HH22 ARG 64 28.544 0.501 3.640 524 H ALA 65 H ALA 65 22.938 9.062 5.309 525 HA ALA 65 HA ALA 65 20.773 7.591 3.964 526 HB1 ALA 65 HB1 ALA 65 19.318 9.505 5.072 527 HB2 ALA 65 HB2 ALA 65 19.659 7.992 5.911 528 HB3 ALA 65 HB3 ALA 65 20.598 9.437 6.283 529 H ARG 66 H ARG 66 19.225 9.298 2.902 530 HA ARG 66 HA ARG 66 20.948 11.068 1.320 531 HB2 ARG 66 HB2 ARG 66 19.249 10.989 -0.385 532 HB3 ARG 66 HB3 ARG 66 19.599 9.346 0.134 533 HG2 ARG 66 HG2 ARG 66 17.568 9.774 1.748 534 HG3 ARG 66 HG3 ARG 66 17.152 10.983 0.531 535 HD2 ARG 66 HD2 ARG 66 16.045 8.920 -0.012 536 HD3 ARG 66 HD3 ARG 66 17.309 9.220 -1.203 537 HE ARG 66 HE ARG 66 18.452 7.634 0.743 538 HH11 ARG 66 HH11 ARG 66 15.794 7.401 -1.494 539 HH12 ARG 66 HH12 ARG 66 15.907 5.679 -1.652 540 HH21 ARG 66 HH21 ARG 66 18.611 5.367 0.543 541 HH22 ARG 66 HH22 ARG 66 17.510 4.523 -0.492 542 H ILE 67 H ILE 67 20.728 13.224 1.353 543 HA ILE 67 HA ILE 67 19.037 14.426 3.329 544 HB ILE 67 HB ILE 67 20.764 15.728 1.220 545 HG12 ILE 67 HG12 ILE 67 21.993 14.293 2.836 546 HG13 ILE 67 HG13 ILE 67 22.409 15.997 2.984 547 HG21 ILE 67 HG21 ILE 67 19.171 17.330 1.907 548 HG22 ILE 67 HG22 ILE 67 19.297 16.841 3.596 549 HG23 ILE 67 HG23 ILE 67 20.638 17.684 2.820 550 HD11 ILE 67 HD11 ILE 67 20.225 15.261 4.732 551 HD12 ILE 67 HD12 ILE 67 21.674 14.298 5.024 552 HD13 ILE 67 HD13 ILE 67 21.754 16.058 5.100 553 H VAL 68 H VAL 68 17.094 15.339 3.092 554 HA VAL 68 HA VAL 68 16.057 15.687 0.353 555 HB VAL 68 HB VAL 68 14.290 15.173 2.729 556 HG11 VAL 68 HG11 VAL 68 13.996 15.038 -0.253 557 HG12 VAL 68 HG12 VAL 68 12.876 14.199 0.821 558 HG13 VAL 68 HG13 VAL 68 13.043 15.953 0.915 559 HG21 VAL 68 HG21 VAL 68 15.842 13.312 2.661 560 HG22 VAL 68 HG22 VAL 68 14.255 12.793 2.093 561 HG23 VAL 68 HG23 VAL 68 15.549 13.099 0.935 562 H PHE 69 H PHE 69 14.338 17.330 0.151 563 HA PHE 69 HA PHE 69 15.131 19.836 0.947 564 HB2 PHE 69 HB2 PHE 69 12.658 20.465 0.519 565 HB3 PHE 69 HB3 PHE 69 13.589 19.783 -0.810 566 HD1 PHE 69 HD2 PHE 69 11.569 18.480 2.050 567 HD2 PHE 69 HD1 PHE 69 12.452 18.289 -2.110 568 HE1 PHE 69 HE2 PHE 69 9.876 16.716 1.775 569 HE2 PHE 69 HE1 PHE 69 10.759 16.526 -2.392 570 HZ PHE 69 HZ PHE 69 9.469 15.736 -0.448 571 H ARG 70 H ARG 70 13.910 21.404 2.335 572 HA ARG 70 HA ARG 70 14.038 20.731 4.999 573 HB2 ARG 70 HB2 ARG 70 12.481 22.875 3.570 574 HB3 ARG 70 HB3 ARG 70 12.460 22.733 5.323 575 HG2 ARG 70 HG2 ARG 70 14.641 23.393 5.544 576 HG3 ARG 70 HG3 ARG 70 15.086 22.837 3.929 577 HD2 ARG 70 HD2 ARG 70 13.373 25.240 4.557 578 HD3 ARG 70 HD3 ARG 70 15.071 25.284 4.083 579 HE ARG 70 HE ARG 70 12.822 24.998 2.358 580 HH11 ARG 70 HH11 ARG 70 16.155 24.084 2.776 581 HH12 ARG 70 HH12 ARG 70 16.446 23.873 1.081 582 HH21 ARG 70 HH21 ARG 70 13.192 24.724 0.124 583 HH22 ARG 70 HH22 ARG 70 14.759 24.238 -0.426 584 H ALA 71 H ALA 71 12.419 20.405 6.621 585 HA ALA 71 HA ALA 71 10.257 18.696 5.677 586 HB1 ALA 71 HB1 ALA 71 11.017 17.532 7.427 587 HB2 ALA 71 HB2 ALA 71 11.823 18.936 8.128 588 HB3 ALA 71 HB3 ALA 71 10.102 18.674 8.411 589 H LYS 72 H LYS 72 8.259 18.866 7.334 590 HA LYS 72 HA LYS 72 6.789 21.085 6.590 591 HB2 LYS 72 HB2 LYS 72 5.735 19.067 7.430 592 HB3 LYS 72 HB3 LYS 72 6.451 19.315 9.017 593 HG2 LYS 72 HG2 LYS 72 5.039 21.090 9.517 594 HG3 LYS 72 HG3 LYS 72 4.631 21.368 7.822 595 HD2 LYS 72 HD2 LYS 72 3.883 18.837 9.265 596 HD3 LYS 72 HD3 LYS 72 2.850 20.268 9.272 597 HE2 LYS 72 HE2 LYS 72 3.862 19.122 6.696 598 HE3 LYS 72 HE3 LYS 72 2.452 18.427 7.494 599 HZ1 LYS 72 HZ1 LYS 72 1.623 20.006 5.997 600 HZ2 LYS 72 HZ2 LYS 72 2.776 21.167 6.425 601 HZ3 LYS 72 HZ3 LYS 72 1.539 20.767 7.506
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